smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C=C\C[NH2+]Cc1cccc(OCC)c1O ZINC000384732999 710953197 /nfs/dbraw/zinc/95/31/97/710953197.db2.gz KDIGDBJBNLVXGO-HYXAFXHYSA-N 1 0 221.300 2.457 20 10 BECDRO C[C@H](O)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000383872000 710986571 /nfs/dbraw/zinc/98/65/71/710986571.db2.gz PXELIMDRMMRTJU-CMPLNLGQSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H](C)O1 ZINC000384570425 710994108 /nfs/dbraw/zinc/99/41/08/710994108.db2.gz IZKFMQREVJNUDX-GYSYKLTISA-N 1 0 247.338 2.277 20 10 BECDRO CC1(C)C[N@H+](Cc2ccccc2O)[C@@H]2COC[C@@H]21 ZINC000384780242 710997141 /nfs/dbraw/zinc/99/71/41/710997141.db2.gz BILSACKJLMJVLK-QWHCGFSZSA-N 1 0 247.338 2.249 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](C)O ZINC000386900184 711037968 /nfs/dbraw/zinc/03/79/68/711037968.db2.gz OPSDCGOIOYEBGQ-RISCZKNCSA-N 1 0 236.359 2.002 20 10 BECDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@@H](C)O ZINC000386945758 711039453 /nfs/dbraw/zinc/03/94/53/711039453.db2.gz WNWXRDPQXKLVDF-LNLATYFQSA-N 1 0 241.306 2.341 20 10 BECDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CCCOC1 ZINC000388523723 711062084 /nfs/dbraw/zinc/06/20/84/711062084.db2.gz XTJUUJWRIZMWCT-DGCLKSJQSA-N 1 0 235.327 2.297 20 10 BECDRO CCC1([NH2+]Cc2ccccc2O)CCOCC1 ZINC000389439290 711078440 /nfs/dbraw/zinc/07/84/40/711078440.db2.gz YHWRZKSAEMAPGR-UHFFFAOYSA-N 1 0 235.327 2.441 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(C)(C)O ZINC000393968029 711180117 /nfs/dbraw/zinc/18/01/17/711180117.db2.gz GUULXRILAXOEKK-DTWKUNHWSA-N 1 0 241.306 2.341 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(C)(C)O ZINC000393971762 711180685 /nfs/dbraw/zinc/18/06/85/711180685.db2.gz OAQGMEQHSHBUDO-KOLCDFICSA-N 1 0 235.327 2.129 20 10 BECDRO CCC1(C[NH2+]Cc2cc(F)ccc2O)COC1 ZINC000393959688 711180720 /nfs/dbraw/zinc/18/07/20/711180720.db2.gz BYSASWQPGHUHOC-UHFFFAOYSA-N 1 0 239.290 2.048 20 10 BECDRO OCC1(CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000395939985 711217096 /nfs/dbraw/zinc/21/70/96/711217096.db2.gz OULPHAMSRFNYLL-GFCCVEGCSA-N 1 0 247.338 2.132 20 10 BECDRO CC1(C)C[C@H]([NH2+]Cc2cc(F)ccc2O)CO1 ZINC000396516532 711223029 /nfs/dbraw/zinc/22/30/29/711223029.db2.gz FXJGXTCYZBGJIW-NSHDSACASA-N 1 0 239.290 2.188 20 10 BECDRO C[C@]1(C[NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000397193153 711378770 /nfs/dbraw/zinc/37/87/70/711378770.db2.gz QKMOHRZLKLKIKN-CYBMUJFWSA-N 1 0 239.290 2.048 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1O ZINC000398020195 711399815 /nfs/dbraw/zinc/39/98/15/711399815.db2.gz CQBIMQCUNRHWRV-AAEUAGOBSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(C[NH2+]CCOC(F)(F)F)c1O ZINC000398207642 711404490 /nfs/dbraw/zinc/40/44/90/711404490.db2.gz CFZKVXYYURSJLX-UHFFFAOYSA-N 1 0 249.232 2.327 20 10 BECDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccccc1O)C1CC1 ZINC000388349234 711058105 /nfs/dbraw/zinc/05/81/05/711058105.db2.gz NSQOWSKUZDYCIE-YGRLFVJLSA-N 1 0 235.327 2.295 20 10 BECDRO CO[C@H]([C@H](C)[NH2+]Cc1ccccc1O)C1CC1 ZINC000388349223 711058701 /nfs/dbraw/zinc/05/87/01/711058701.db2.gz NSQOWSKUZDYCIE-IINYFYTJSA-N 1 0 235.327 2.295 20 10 BECDRO C[C@H]([NH2+]CCN1CC=CCC1)c1ccccc1O ZINC000392264676 711145354 /nfs/dbraw/zinc/14/53/54/711145354.db2.gz MDSSVECRKBKLMN-ZDUSSCGKSA-N 1 0 246.354 2.305 20 10 BECDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000397833672 711393038 /nfs/dbraw/zinc/39/30/38/711393038.db2.gz NUGQSQTXMKQAOP-GXFFZTMASA-N 1 0 249.379 2.463 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397901098 711394823 /nfs/dbraw/zinc/39/48/23/711394823.db2.gz XPVDZANIPKOJNX-PEGIJTEDSA-N 1 0 233.311 2.289 20 10 BECDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000398238837 711405099 /nfs/dbraw/zinc/40/50/99/711405099.db2.gz XSHNJCHDDLCTPQ-SMDDNHRTSA-N 1 0 247.338 2.279 20 10 BECDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000136255385 711693075 /nfs/dbraw/zinc/69/30/75/711693075.db2.gz AUYUJLOGBJGYBB-YPMHNXCESA-N 1 0 218.344 2.498 20 10 BECDRO CCn1ccnc1C[NH2+]Cc1cc(C)ccc1O ZINC000385393353 711704276 /nfs/dbraw/zinc/70/42/76/711704276.db2.gz VIDXQQVUPLXSPB-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCOC(F)(F)F)c1 ZINC000398250709 711709832 /nfs/dbraw/zinc/70/98/32/711709832.db2.gz MIHOPIYFXGDAJO-UHFFFAOYSA-N 1 0 249.232 2.327 20 10 BECDRO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C)c1O ZINC000160248792 711806228 /nfs/dbraw/zinc/80/62/28/711806228.db2.gz MMQIZXUVCORDSQ-CQSZACIVSA-N 1 0 248.370 2.227 20 10 BECDRO CC[N@H+](CCOC)Cc1cc2c(cc1O)CCC2 ZINC000921047259 711882305 /nfs/dbraw/zinc/88/23/05/711882305.db2.gz UYGJMZXCCJYEED-UHFFFAOYSA-N 1 0 249.354 2.349 20 10 BECDRO CCc1cccc(C[NH2+]CC2CSC2)c1O ZINC000700474600 711994636 /nfs/dbraw/zinc/99/46/36/711994636.db2.gz LPVOLYOBXAQAQC-UHFFFAOYSA-N 1 0 237.368 2.407 20 10 BECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC1CC1 ZINC000700945265 712010380 /nfs/dbraw/zinc/01/03/80/712010380.db2.gz AJMGSZRBDVYMDB-UHFFFAOYSA-N 1 0 216.328 2.308 20 10 BECDRO COC1CC(C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000703139446 712067325 /nfs/dbraw/zinc/06/73/25/712067325.db2.gz YDUHMMGKLADTIL-UNXYVOJBSA-N 1 0 235.327 2.468 20 10 BECDRO Cc1c[nH]c(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000703557220 712078455 /nfs/dbraw/zinc/07/84/55/712078455.db2.gz YGKLWFKXUVOHKP-SNVBAGLBSA-N 1 0 231.299 2.275 20 10 BECDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1ccccc1O ZINC000705015427 712121662 /nfs/dbraw/zinc/12/16/62/712121662.db2.gz TUJSCSDMHOOEKF-PELKAZGASA-N 1 0 245.269 2.059 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOCCF)c1 ZINC000705795962 712137113 /nfs/dbraw/zinc/13/71/13/712137113.db2.gz YBLHOPKUTPMIGU-NSHDSACASA-N 1 0 241.306 2.337 20 10 BECDRO CC[C@@H]([NH2+]CCOCCF)c1ccccc1O ZINC000705792793 712137280 /nfs/dbraw/zinc/13/72/80/712137280.db2.gz CXUZQSOLGUDYCM-GFCCVEGCSA-N 1 0 241.306 2.419 20 10 BECDRO CC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccccc1O ZINC000707680858 712176437 /nfs/dbraw/zinc/17/64/37/712176437.db2.gz RDNQDNQMYNGAHF-LOWVWBTDSA-N 1 0 235.327 2.204 20 10 BECDRO CC(C)[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000709019188 712205841 /nfs/dbraw/zinc/20/58/41/712205841.db2.gz GXJYEBXZNFJUKE-AWEZNQCLSA-N 1 0 235.327 2.249 20 10 BECDRO CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708558588 712212975 /nfs/dbraw/zinc/21/29/75/712212975.db2.gz KECMVGSAAVMUDB-UHFFFAOYSA-N 1 0 201.216 2.170 20 10 BECDRO Oc1ccccc1C[NH2+]CCc1ccns1 ZINC000709790958 712227404 /nfs/dbraw/zinc/22/74/04/712227404.db2.gz NYVKCESPYSTKEE-UHFFFAOYSA-N 1 0 234.324 2.181 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@H](C)O1 ZINC000709851982 712229857 /nfs/dbraw/zinc/22/98/57/712229857.db2.gz BRVUJGRFWDRTMO-NEPJUHHUSA-N 1 0 235.327 2.392 20 10 BECDRO Cc1cccc(C[NH2+]CCc2ccns2)c1O ZINC000709867004 712230176 /nfs/dbraw/zinc/23/01/76/712230176.db2.gz BWBOPPBBDYGVFU-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO Oc1ccc(Cl)cc1CNCc1cocn1 ZINC000390816034 712427643 /nfs/dbraw/zinc/42/76/43/712427643.db2.gz KSQZRFOPMHGVLH-UHFFFAOYSA-N 1 0 238.674 2.323 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C)c(O)c1 ZINC000712588801 712435614 /nfs/dbraw/zinc/43/56/14/712435614.db2.gz YLFXSQYQXWUZEQ-NWDGAFQWSA-N 1 0 234.343 2.055 20 10 BECDRO CCN1CC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000712612563 712437831 /nfs/dbraw/zinc/43/78/31/712437831.db2.gz BEVYCNIWNTVDAQ-CHWSQXEVSA-N 1 0 246.354 2.063 20 10 BECDRO CCN1CC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000712612565 712437834 /nfs/dbraw/zinc/43/78/34/712437834.db2.gz BEVYCNIWNTVDAQ-QWHCGFSZSA-N 1 0 246.354 2.063 20 10 BECDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000712530575 712441392 /nfs/dbraw/zinc/44/13/92/712441392.db2.gz PAFAHUUEFREUJK-STQMWFEESA-N 1 0 248.370 2.445 20 10 BECDRO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccccc1O ZINC000716714028 712570647 /nfs/dbraw/zinc/57/06/47/712570647.db2.gz SJFNXCVGVLRRQR-LDYMZIIASA-N 1 0 245.269 2.059 20 10 BECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716886565 712580556 /nfs/dbraw/zinc/58/05/56/712580556.db2.gz BCCOOVYOFLTNDC-RISCZKNCSA-N 1 0 249.354 2.261 20 10 BECDRO CCc1cccc(C[NH2+][C@H](CO)C2CCC2)c1O ZINC000717594658 712660996 /nfs/dbraw/zinc/66/09/96/712660996.db2.gz OTNZPJQGKHOICP-CQSZACIVSA-N 1 0 249.354 2.205 20 10 BECDRO C1=CO[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000380030460 712683665 /nfs/dbraw/zinc/68/36/65/712683665.db2.gz ZDPAANNBZVLPTI-AWEZNQCLSA-N 1 0 245.322 2.404 20 10 BECDRO Cc1n[nH]c(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000718338061 712756116 /nfs/dbraw/zinc/75/61/16/712756116.db2.gz SLKALBIOQXJWRT-UHFFFAOYSA-N 1 0 245.326 2.330 20 10 BECDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1O ZINC000380240616 712843337 /nfs/dbraw/zinc/84/33/37/712843337.db2.gz NDUGCIUPLNPXRR-ZYHUDNBSSA-N 1 0 223.341 2.376 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000720978957 712885254 /nfs/dbraw/zinc/88/52/54/712885254.db2.gz WWTCJYUKYSFVFH-LALPHHSUSA-N 1 0 248.370 2.174 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCOC2CCC2)c1 ZINC000690687180 961175476 /nfs/dbraw/zinc/17/54/76/961175476.db2.gz DHLOZBFBZMHHMJ-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO CCCOc1ccc(N2CC[C@H]([NH3+])C2)c(F)c1 ZINC001164288856 965832586 /nfs/dbraw/zinc/83/25/86/965832586.db2.gz UPNJCAOOWQNKHR-JTQLQIEISA-N 1 0 238.306 2.152 20 10 BECDRO Oc1ccc(C[NH+]2C3CCC2CC3)c(O)c1 ZINC001204278898 966960924 /nfs/dbraw/zinc/96/09/24/966960924.db2.gz MHRYIPWAXBOVAW-UHFFFAOYSA-N 1 0 219.284 2.225 20 10 BECDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC000128441985 1166062415 /nfs/dbraw/zinc/06/24/15/1166062415.db2.gz NNGQIDNNKQOLKW-KOLCDFICSA-N 1 0 221.300 2.376 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@H](F)C2)c1O ZINC000689849234 1166365921 /nfs/dbraw/zinc/36/59/21/1166365921.db2.gz ODVBGAMLQWLFKH-NSHDSACASA-N 1 0 209.264 2.244 20 10 BECDRO CC[NH+](CC)CCN(C)Cc1ccccc1O ZINC000181374571 970608030 /nfs/dbraw/zinc/60/80/30/970608030.db2.gz RHLSNOGJFDJLCM-UHFFFAOYSA-N 1 0 236.359 2.166 20 10 BECDRO C[C@H]1CC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232258622 977968493 /nfs/dbraw/zinc/96/84/93/977968493.db2.gz BESJALAGDPXFGO-ZETCQYMHSA-N 1 0 227.691 2.345 20 10 BECDRO CC[C@H]([NH3+])CN(C)Cc1c(C)cc(C)cc1O ZINC001236868487 979773734 /nfs/dbraw/zinc/77/37/34/979773734.db2.gz DTHDYNAWCRKGNK-LBPRGKRZSA-N 1 0 236.359 2.178 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)CO ZINC000168738178 1168337864 /nfs/dbraw/zinc/33/78/64/1168337864.db2.gz KYWWAQHUOOCLDJ-MXWKQRLJSA-N 1 0 235.327 2.219 20 10 BECDRO Cc1cc(F)cc(C[N@@H+](C)[C@H]2CCOC2)c1O ZINC001238061426 980134670 /nfs/dbraw/zinc/13/46/70/980134670.db2.gz HVFRKQONQUKAQM-LBPRGKRZSA-N 1 0 239.290 2.060 20 10 BECDRO Oc1ccc(C[NH+]2CCCCCC2)c(O)c1 ZINC000258164675 1168937928 /nfs/dbraw/zinc/93/79/28/1168937928.db2.gz QYYPRGBMMWYUSH-UHFFFAOYSA-N 1 0 221.300 2.474 20 10 BECDRO [NH3+][C@@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC000050227681 1169124017 /nfs/dbraw/zinc/12/40/17/1169124017.db2.gz GHELCUVOYIKVPG-GFCCVEGCSA-N 1 0 242.322 2.078 20 10 BECDRO COCC[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000383832782 1169251408 /nfs/dbraw/zinc/25/14/08/1169251408.db2.gz JDOWTWAVYNOUEW-PWSUYJOCSA-N 1 0 235.327 2.394 20 10 BECDRO CC[C@@H](C)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144503762 972850949 /nfs/dbraw/zinc/85/09/49/972850949.db2.gz CEMPRJDYEDLODR-MRVPVSSYSA-N 1 0 225.288 2.034 20 10 BECDRO CNc1cc(N(C)c2ccc(N)cc2)cc[nH+]1 ZINC001216337708 971054316 /nfs/dbraw/zinc/05/43/16/971054316.db2.gz UKFNOANGOMHCOT-UHFFFAOYSA-N 1 0 228.299 2.473 20 10 BECDRO CN(C)c1ccc(O[C@H]2CCCC[NH2+]C2)cc1 ZINC001217972893 971555805 /nfs/dbraw/zinc/55/58/05/971555805.db2.gz WBZHEFHILNZOFT-AWEZNQCLSA-N 1 0 234.343 2.274 20 10 BECDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(N)cc1 ZINC001218029152 971575567 /nfs/dbraw/zinc/57/55/67/971575567.db2.gz ZHWYQPUNVFBQTB-ZWNOBZJWSA-N 1 0 220.316 2.036 20 10 BECDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N)cc2)CCN1C ZINC001345160853 957162778 /nfs/dbraw/zinc/16/27/78/957162778.db2.gz ZYEXCKMJQVDIBC-WFASDCNBSA-N 1 0 247.386 2.183 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)C1CCC1)CC2 ZINC000315763284 972250530 /nfs/dbraw/zinc/25/05/30/972250530.db2.gz CTPFCODAHALZLI-TZMCWYRMSA-N 1 0 247.338 2.130 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1C ZINC000316732761 972292291 /nfs/dbraw/zinc/29/22/91/972292291.db2.gz JNEKMJDNRHMKCH-CQSZACIVSA-N 1 0 249.354 2.254 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000689850289 959307766 /nfs/dbraw/zinc/30/77/66/959307766.db2.gz RFMVKGLSZIUGNJ-NSHDSACASA-N 1 0 209.264 2.244 20 10 BECDRO Cc1c(O)ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1O ZINC001140747637 959792939 /nfs/dbraw/zinc/79/29/39/959792939.db2.gz FGBFHJUIGGXPDM-CMPLNLGQSA-N 1 0 233.311 2.391 20 10 BECDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000694397420 959851667 /nfs/dbraw/zinc/85/16/67/959851667.db2.gz YYAUSNGRKDKKKJ-BIMULSAOSA-N 1 0 221.300 2.220 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c1 ZINC001140617672 960460777 /nfs/dbraw/zinc/46/07/77/960460777.db2.gz WBYOVIMOCMVWPW-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2CO)c1 ZINC001140617159 960462383 /nfs/dbraw/zinc/46/23/83/960462383.db2.gz HWINGZXDDLXFEV-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@H+](C)Cc2cncnc2)c1 ZINC001140624335 960466773 /nfs/dbraw/zinc/46/67/73/960466773.db2.gz REVUMGSUWHMGKR-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001140619835 960467890 /nfs/dbraw/zinc/46/78/90/960467890.db2.gz REBORCSRQUOICS-BETUJISGSA-N 1 0 245.322 2.397 20 10 BECDRO Cc1c(O)ccc(C[N@@H+]2CCC3(CC3)C2)c1O ZINC001140743910 960543525 /nfs/dbraw/zinc/54/35/25/960543525.db2.gz DTFHSFKFJNXVLO-UHFFFAOYSA-N 1 0 233.311 2.392 20 10 BECDRO Cc1ccc(C[N@@H+](C)C2CCN(C)CC2)c(O)c1 ZINC001140948762 960744511 /nfs/dbraw/zinc/74/45/11/960744511.db2.gz ZDMQLNCBYQHPGE-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c(O)c1 ZINC001140948119 960744689 /nfs/dbraw/zinc/74/46/89/960744689.db2.gz UFCIKYILMHABIK-OLZOCXBDSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c(O)c1 ZINC001140947826 960747967 /nfs/dbraw/zinc/74/79/67/960747967.db2.gz HHIKPBJSMJIYNG-AAEUAGOBSA-N 1 0 235.327 2.046 20 10 BECDRO CC[NH+](CC)Cc1c(O)cc(OC)cc1OC ZINC001141031270 960819255 /nfs/dbraw/zinc/81/92/55/960819255.db2.gz AWESYEMOYSOSDS-UHFFFAOYSA-N 1 0 239.315 2.251 20 10 BECDRO C[NH+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074587 960856937 /nfs/dbraw/zinc/85/69/37/960856937.db2.gz NEAMRPNEAFLSTQ-UHFFFAOYSA-N 1 0 230.355 2.447 20 10 BECDRO CC(C)[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141139462 960885152 /nfs/dbraw/zinc/88/51/52/960885152.db2.gz TXUCBWGZIAJQER-UHFFFAOYSA-N 1 0 234.343 2.355 20 10 BECDRO CN1CCOc2cc(C[N@H+](C)CC3CC3)ccc21 ZINC001141141058 960887688 /nfs/dbraw/zinc/88/76/88/960887688.db2.gz SRJBRMGXWNIGRQ-UHFFFAOYSA-N 1 0 246.354 2.357 20 10 BECDRO C[C@@]1(F)CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156616 960889983 /nfs/dbraw/zinc/88/99/83/960889983.db2.gz OSGYWHRLDXGHDE-CYBMUJFWSA-N 1 0 239.290 2.422 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H](F)CC2)c1 ZINC001141155979 960891145 /nfs/dbraw/zinc/89/11/45/960891145.db2.gz CTBPMAUGPWUSBT-NSHDSACASA-N 1 0 239.290 2.422 20 10 BECDRO Oc1ccc(O)c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC001141155806 960892307 /nfs/dbraw/zinc/89/23/07/960892307.db2.gz KHKRDHQEHJBMPP-GHMZBOCLSA-N 1 0 233.311 2.330 20 10 BECDRO C[C@@]1(CF)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156120 960893033 /nfs/dbraw/zinc/89/30/33/960893033.db2.gz FWVIWJOCBKZMNV-ZDUSSCGKSA-N 1 0 239.290 2.279 20 10 BECDRO Oc1ccc(O)c(C[NH+]2CCC(CF)CC2)c1 ZINC001141160044 960895474 /nfs/dbraw/zinc/89/54/74/960895474.db2.gz PVVXPEPQNXBXLN-UHFFFAOYSA-N 1 0 239.290 2.279 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC001141159954 960895646 /nfs/dbraw/zinc/89/56/46/960895646.db2.gz NCRFFVGWCFFXHA-JTQLQIEISA-N 1 0 239.290 2.279 20 10 BECDRO CC[C@@H](C)[N@H+](C)Cc1cc(O)ccc1O ZINC001141157448 960896378 /nfs/dbraw/zinc/89/63/78/960896378.db2.gz IHAHLHBRGWHRPN-SECBINFHSA-N 1 0 209.289 2.328 20 10 BECDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)C2(CC2)C1 ZINC001141162353 960906551 /nfs/dbraw/zinc/90/65/51/960906551.db2.gz QPCPPKOLHVAXLP-SNVBAGLBSA-N 1 0 233.311 2.472 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000234888843 961644957 /nfs/dbraw/zinc/64/49/57/961644957.db2.gz ICYNKNKZVVSSAX-NSHDSACASA-N 1 0 241.718 2.266 20 10 BECDRO C[NH2+]C1CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001204707400 964259009 /nfs/dbraw/zinc/25/90/09/964259009.db2.gz YQGQPFIVBXTBPT-UHFFFAOYSA-N 1 0 248.370 2.093 20 10 BECDRO CNc1ccccc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163394251 965392721 /nfs/dbraw/zinc/39/27/21/965392721.db2.gz GSZZECZQDPQLBU-AWEZNQCLSA-N 1 0 231.343 2.234 20 10 BECDRO Oc1cc(C[N@@H+]2CCC23CCCC3)cc(O)c1O ZINC001233011588 965454551 /nfs/dbraw/zinc/45/45/51/965454551.db2.gz ABLOPOXLYQNZBK-UHFFFAOYSA-N 1 0 249.310 2.322 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2COC[C@@H]2C)c1 ZINC000699788442 966087084 /nfs/dbraw/zinc/08/70/84/966087084.db2.gz NWCIIOWGAGDNBS-GVXVVHGQSA-N 1 0 235.327 2.386 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@H]2C)c1 ZINC000699788447 966090533 /nfs/dbraw/zinc/09/05/33/966090533.db2.gz NWCIIOWGAGDNBS-NTZNESFSSA-N 1 0 235.327 2.386 20 10 BECDRO CCc1ccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c(O)c1 ZINC001236078886 966264208 /nfs/dbraw/zinc/26/42/08/966264208.db2.gz KBVYCIPZKAQAMU-RYUDHWBXSA-N 1 0 248.370 2.137 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCCC1=O ZINC001203550057 966684062 /nfs/dbraw/zinc/68/40/62/966684062.db2.gz GFGLWDLWSBNSSJ-LLVKDONJSA-N 1 0 233.311 2.193 20 10 BECDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2ccccc2O)C1 ZINC001203561298 966689641 /nfs/dbraw/zinc/68/96/41/966689641.db2.gz PZLZETQIJPGWFB-AWEZNQCLSA-N 1 0 248.370 2.307 20 10 BECDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccccc2O)C1 ZINC001203561299 966692378 /nfs/dbraw/zinc/69/23/78/966692378.db2.gz PZLZETQIJPGWFB-CQSZACIVSA-N 1 0 248.370 2.307 20 10 BECDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001203621227 966708736 /nfs/dbraw/zinc/70/87/36/966708736.db2.gz PXAVTJNLUYELCB-SKDRFNHKSA-N 1 0 239.290 2.191 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001203670701 966734306 /nfs/dbraw/zinc/73/43/06/966734306.db2.gz WXCZSSMLGWXXET-SKDRFNHKSA-N 1 0 239.290 2.191 20 10 BECDRO CCC[N@H+](CC)Cc1ccc(O)c(O)c1 ZINC001203874120 966804784 /nfs/dbraw/zinc/80/47/84/966804784.db2.gz OSURFQIFBKAUDV-UHFFFAOYSA-N 1 0 209.289 2.330 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1O ZINC001203878828 966805310 /nfs/dbraw/zinc/80/53/10/966805310.db2.gz DCNWXLXYFLOOIB-WDEREUQCSA-N 1 0 219.284 2.082 20 10 BECDRO Oc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1O ZINC001203874108 966805660 /nfs/dbraw/zinc/80/56/60/966805660.db2.gz OIBBSSFYJCUDCV-RYUDHWBXSA-N 1 0 233.311 2.330 20 10 BECDRO Oc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1O ZINC001203874110 966807108 /nfs/dbraw/zinc/80/71/08/966807108.db2.gz OIBBSSFYJCUDCV-VXGBXAGGSA-N 1 0 233.311 2.330 20 10 BECDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001203880418 966810329 /nfs/dbraw/zinc/81/03/29/966810329.db2.gz ACCAAVLCSQPWFX-PHIMTYICSA-N 1 0 233.311 2.186 20 10 BECDRO C[C@@H]1CC(=O)CCN1Cc1ccc(N(C)C)cc1 ZINC001203929974 966823705 /nfs/dbraw/zinc/82/37/05/966823705.db2.gz MIWDHVALHRGRNX-GFCCVEGCSA-N 1 0 246.354 2.306 20 10 BECDRO C[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204273077 966951710 /nfs/dbraw/zinc/95/17/10/966951710.db2.gz WTPWZYBAUYHBSA-JTQLQIEISA-N 1 0 221.300 2.330 20 10 BECDRO CC1(F)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204271709 966953621 /nfs/dbraw/zinc/95/36/21/966953621.db2.gz CHEINQMWBOQAGU-UHFFFAOYSA-N 1 0 239.290 2.422 20 10 BECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CO1 ZINC000922213418 967602792 /nfs/dbraw/zinc/60/27/92/967602792.db2.gz AMSMLYYROGUFOX-FZMZJTMJSA-N 1 0 247.338 2.279 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)CC[C@@H]1CN ZINC001205856020 967857834 /nfs/dbraw/zinc/85/78/34/967857834.db2.gz RXHHSQVWPOHPGS-DGCLKSJQSA-N 1 0 248.370 2.260 20 10 BECDRO Cc1cc(C)c(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205880549 967871198 /nfs/dbraw/zinc/87/11/98/967871198.db2.gz MGXSEGGXTYRBIH-RISCZKNCSA-N 1 0 248.370 2.178 20 10 BECDRO CC[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001251811409 968344442 /nfs/dbraw/zinc/34/44/42/968344442.db2.gz LGWOFMRCRAHZNB-CQSZACIVSA-N 1 0 245.322 2.406 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640417 968427295 /nfs/dbraw/zinc/42/72/95/968427295.db2.gz JQNYGFKGKKBERE-CYBMUJFWSA-N 1 0 248.370 2.261 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1O ZINC000691409252 968645084 /nfs/dbraw/zinc/64/50/84/968645084.db2.gz BWHUEHNHPVGANS-UONOGXRCSA-N 1 0 247.338 2.358 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C/C=C\Cl ZINC001207738366 968872315 /nfs/dbraw/zinc/87/23/15/968872315.db2.gz BGXXUQRELGYRCF-RJRFIUFISA-N 1 0 215.655 2.373 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1O ZINC000691459435 969958607 /nfs/dbraw/zinc/95/86/07/969958607.db2.gz JPMNGKWCMVGYLP-BXUZGUMPSA-N 1 0 249.354 2.469 20 10 BECDRO CCc1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1O ZINC000691483596 970007945 /nfs/dbraw/zinc/00/79/45/970007945.db2.gz RJSGJOKJAMGMNK-BXUZGUMPSA-N 1 0 249.354 2.469 20 10 BECDRO COc1ccc(N(C)C(C)(C)C[NH3+])c2[nH]ccc21 ZINC001170059120 970104726 /nfs/dbraw/zinc/10/47/26/970104726.db2.gz MPPZMHXNDGDFSP-UHFFFAOYSA-N 1 0 247.342 2.350 20 10 BECDRO CO/C=C/c1ccc(N(C)C(C)(C)C[NH3+])cc1 ZINC001170059862 970116385 /nfs/dbraw/zinc/11/63/85/970116385.db2.gz WAQJMGKFQKPXOC-MDZDMXLPSA-N 1 0 234.343 2.477 20 10 BECDRO CC[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509232 972858481 /nfs/dbraw/zinc/85/84/81/972858481.db2.gz PXLGFXUQBQQWIA-SECBINFHSA-N 1 0 237.299 2.178 20 10 BECDRO CNc1ccccc1NC[C@H]1CCCC[NH2+]1 ZINC001171335909 973883496 /nfs/dbraw/zinc/88/34/96/973883496.db2.gz USXDLDZGJMWZOA-LLVKDONJSA-N 1 0 219.332 2.282 20 10 BECDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3C)c(C)c1 ZINC001277018352 974188312 /nfs/dbraw/zinc/18/83/12/974188312.db2.gz IUPLBAJDQOMMMZ-GJZGRUSLSA-N 1 0 246.354 2.286 20 10 BECDRO COc1cccc(O)c1C[NH2+]C/C=C/C1CC1 ZINC001330432247 974264955 /nfs/dbraw/zinc/26/49/55/974264955.db2.gz ONCXOWBUEYKGGH-ONEGZZNKSA-N 1 0 233.311 2.457 20 10 BECDRO CCOCC[C@@H](C)[NH2+]Cc1ccccc1O ZINC001172409276 974671835 /nfs/dbraw/zinc/67/18/35/974671835.db2.gz SXYDQNRZYXWSAA-LLVKDONJSA-N 1 0 223.316 2.297 20 10 BECDRO Cc1ccc(Nc2cc[nH+]cc2)c(O)c1 ZINC001173882335 975928915 /nfs/dbraw/zinc/92/89/15/975928915.db2.gz FTWMFEIRSPCJBK-UHFFFAOYSA-N 1 0 200.241 2.261 20 10 BECDRO Cc1cccc(O)c1Nc1cc[nH+]cc1 ZINC001173883186 975946439 /nfs/dbraw/zinc/94/64/39/975946439.db2.gz JYARPFAVNAOMRV-UHFFFAOYSA-N 1 0 200.241 2.261 20 10 BECDRO CC(=O)c1cccc(O)c1Nc1cc[nH+]cc1 ZINC001173884906 975971038 /nfs/dbraw/zinc/97/10/38/975971038.db2.gz XKKLTJIHSIIYAE-UHFFFAOYSA-N 1 0 228.251 2.155 20 10 BECDRO Oc1cccc(Nc2ccc3[nH+]ccn3c2)c1O ZINC001174278736 976513279 /nfs/dbraw/zinc/51/32/79/976513279.db2.gz GTIYMMMIAMAZTB-UHFFFAOYSA-N 1 0 241.250 2.489 20 10 BECDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N)cc1 ZINC001334754841 976625840 /nfs/dbraw/zinc/62/58/40/976625840.db2.gz SRVQOPLODCNCRZ-LBPRGKRZSA-N 1 0 241.338 2.385 20 10 BECDRO Cc1c[nH+]ccc1Nc1c(O)cccc1F ZINC001174537695 976825366 /nfs/dbraw/zinc/82/53/66/976825366.db2.gz NJVCUAIRJVLSFJ-UHFFFAOYSA-N 1 0 218.231 2.400 20 10 BECDRO COc1ccc(O)c(Nc2cc[nH+]cc2C)c1 ZINC001174537778 976826277 /nfs/dbraw/zinc/82/62/77/976826277.db2.gz QDODVPPGQAULPO-UHFFFAOYSA-N 1 0 230.267 2.270 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC001335289566 976933970 /nfs/dbraw/zinc/93/39/70/976933970.db2.gz OVKSKTLMWWLUAQ-STQMWFEESA-N 1 0 248.395 2.454 20 10 BECDRO CC(C)[N@@H+]1CCCN(Cc2ccc(N)cc2)CC1 ZINC001336116615 977511265 /nfs/dbraw/zinc/51/12/65/977511265.db2.gz HKJWJPMCACEAKR-UHFFFAOYSA-N 1 0 247.386 2.185 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001231590594 977634137 /nfs/dbraw/zinc/63/41/37/977634137.db2.gz BQWQCLRGMRABNQ-SWLSCSKDSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c1O ZINC001231590723 977642352 /nfs/dbraw/zinc/64/23/52/977642352.db2.gz GAYGXLIORJGJMP-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2CO)c1O ZINC001231590791 977642580 /nfs/dbraw/zinc/64/25/80/977642580.db2.gz HTYCQFAMATZVBW-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1O ZINC001231595204 977643207 /nfs/dbraw/zinc/64/32/07/977643207.db2.gz QQZUCIGXTSYQJD-CHWSQXEVSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1O ZINC001231591447 977643581 /nfs/dbraw/zinc/64/35/81/977643581.db2.gz CUAPUISIXGVBDG-CHWSQXEVSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1O ZINC001231593698 977643688 /nfs/dbraw/zinc/64/36/88/977643688.db2.gz LDTJMVWURPELGW-MRVWCRGKSA-N 1 0 247.338 2.167 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1O ZINC001231591578 977643753 /nfs/dbraw/zinc/64/37/53/977643753.db2.gz HBDNTVHTVXYERD-RWMBFGLXSA-N 1 0 235.302 2.490 20 10 BECDRO COc1cc(C[N@@H+]2CCCC23CC3)c(O)cc1O ZINC001231634067 977654750 /nfs/dbraw/zinc/65/47/50/977654750.db2.gz HIAIEZCOQPCECO-UHFFFAOYSA-N 1 0 249.310 2.235 20 10 BECDRO CCCC[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231635099 977656115 /nfs/dbraw/zinc/65/61/15/977656115.db2.gz VTUQWNNJORSEEN-UHFFFAOYSA-N 1 0 239.315 2.338 20 10 BECDRO Cc1cc(C)c(C[N@@H+](C)CCN(C)C)c(O)c1 ZINC001231842029 977759645 /nfs/dbraw/zinc/75/96/45/977759645.db2.gz MQNRONOIZSSNOR-UHFFFAOYSA-N 1 0 236.359 2.002 20 10 BECDRO Cc1cc(C)c(C[NH+]2CCC(C)(O)CC2)c(O)c1 ZINC001231843011 977759815 /nfs/dbraw/zinc/75/98/15/977759815.db2.gz SAXOWBICCWLJIL-UHFFFAOYSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c(O)c1 ZINC001231843223 977762220 /nfs/dbraw/zinc/76/22/20/977762220.db2.gz SUVGZKAESGCZNR-STQMWFEESA-N 1 0 249.354 2.354 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCC3(COC3)C2)c(O)c1 ZINC001231842468 977762684 /nfs/dbraw/zinc/76/26/84/977762684.db2.gz MZFFAQJYMBHJGJ-UHFFFAOYSA-N 1 0 247.338 2.231 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CC[C@@H](CO)[C@H]2C)c(O)c1 ZINC001231842515 977764042 /nfs/dbraw/zinc/76/40/42/977764042.db2.gz NRZWZNBVUKQBBM-OLZOCXBDSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(Nc2c(N)cccc2O)cc(C)[nH+]1 ZINC001176059404 977910091 /nfs/dbraw/zinc/91/00/91/977910091.db2.gz DULSCPCFNSXYKA-UHFFFAOYSA-N 1 0 229.283 2.152 20 10 BECDRO CC1C[NH+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232260394 977989512 /nfs/dbraw/zinc/98/95/12/977989512.db2.gz PIQKHPXIEGGLTM-UHFFFAOYSA-N 1 0 227.691 2.203 20 10 BECDRO CC1(C)CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233009824 978405632 /nfs/dbraw/zinc/40/56/32/978405632.db2.gz CLYOHOPBKVDBDW-UHFFFAOYSA-N 1 0 237.299 2.178 20 10 BECDRO CCCC[N@H+](CC)Cc1cc(O)c(O)c(O)c1 ZINC001233010618 978407129 /nfs/dbraw/zinc/40/71/29/978407129.db2.gz RPYYIYWEKYXTLC-UHFFFAOYSA-N 1 0 239.315 2.425 20 10 BECDRO Oc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc(O)c1O ZINC001233011087 978411694 /nfs/dbraw/zinc/41/16/94/978411694.db2.gz YSAYDBZSKOFYPP-QWRGUYRKSA-N 1 0 249.310 2.035 20 10 BECDRO CC[C@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233011536 978414720 /nfs/dbraw/zinc/41/47/20/978414720.db2.gz CMYNSHSTIVPTOT-JTQLQIEISA-N 1 0 237.299 2.178 20 10 BECDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)C2(CC2)C1 ZINC001233015308 978415100 /nfs/dbraw/zinc/41/51/00/978415100.db2.gz JWAPKCBTWJSPQG-VIFPVBQESA-N 1 0 249.310 2.178 20 10 BECDRO C[C@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233073816 978455884 /nfs/dbraw/zinc/45/58/84/978455884.db2.gz CZKILUILJFBLQS-ZETCQYMHSA-N 1 0 213.227 2.265 20 10 BECDRO CN(CC[NH2+]Cc1ccc(N)cc1)C1CCCC1 ZINC001337838259 978519729 /nfs/dbraw/zinc/51/97/29/978519729.db2.gz MXYGCTRHSXSDRT-UHFFFAOYSA-N 1 0 247.386 2.233 20 10 BECDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC(CO)C2)c1 ZINC001233286059 978528693 /nfs/dbraw/zinc/52/86/93/978528693.db2.gz CTUUWQWELVMSSL-UHFFFAOYSA-N 1 0 249.354 2.114 20 10 BECDRO CC1(C)CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483157 978612701 /nfs/dbraw/zinc/61/27/01/978612701.db2.gz PIQGCWDMBOZUJQ-UHFFFAOYSA-N 1 0 237.299 2.178 20 10 BECDRO Oc1cc(O)c(C[N@@H+]2CCCCC23CC3)cc1O ZINC001233486663 978613401 /nfs/dbraw/zinc/61/34/01/978613401.db2.gz WYVIPBZGIDBMLS-UHFFFAOYSA-N 1 0 249.310 2.322 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)C2(CC2)C1 ZINC001204279626 978950248 /nfs/dbraw/zinc/95/02/48/978950248.db2.gz CWCWMOZVWAKBDY-SNVBAGLBSA-N 1 0 233.311 2.472 20 10 BECDRO Cc1cccc(C[N@H+]2CCNC[C@H]2C(C)C)c1O ZINC001235458113 979047827 /nfs/dbraw/zinc/04/78/27/979047827.db2.gz MFXCJVMODUHKND-AWEZNQCLSA-N 1 0 248.370 2.130 20 10 BECDRO Cc1ccc(O)c(CN2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001235470650 979052637 /nfs/dbraw/zinc/05/26/37/979052637.db2.gz DGQAHXLLVGGAPK-AWEZNQCLSA-N 1 0 248.370 2.130 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000689907776 979059899 /nfs/dbraw/zinc/05/98/99/979059899.db2.gz UMTOEMURSMMCES-NSHDSACASA-N 1 0 239.290 2.335 20 10 BECDRO C[N@H+](CCCO)Cc1ccc(N2CCCC2)cc1 ZINC001235690592 979118429 /nfs/dbraw/zinc/11/84/29/979118429.db2.gz ATORAEDIXOULBC-UHFFFAOYSA-N 1 0 248.370 2.101 20 10 BECDRO CN(Cc1ccc(C(C)(C)C)cc1O)C1C[NH2+]C1 ZINC001235923138 979207680 /nfs/dbraw/zinc/20/76/80/979207680.db2.gz FDJKZAUVQPTIST-UHFFFAOYSA-N 1 0 248.370 2.093 20 10 BECDRO CCc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(O)c1 ZINC001236782303 979730462 /nfs/dbraw/zinc/73/04/62/979730462.db2.gz AIJCNMWXBVOLGG-FZMZJTMJSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC001236787149 979732868 /nfs/dbraw/zinc/73/28/68/979732868.db2.gz AFESVGKCDQQHJF-OAHLLOKOSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1ccc(C[NH+]2CCN(CC)CC2)c(O)c1 ZINC001236784697 979733738 /nfs/dbraw/zinc/73/37/38/979733738.db2.gz YPAFPQWMBZWJQA-UHFFFAOYSA-N 1 0 248.370 2.092 20 10 BECDRO COc1cc(C)c(C[NH+]2CCCC2)c(O)c1 ZINC001236818275 979746567 /nfs/dbraw/zinc/74/65/67/979746567.db2.gz KUPJCSQHTYGVQW-UHFFFAOYSA-N 1 0 221.300 2.305 20 10 BECDRO CC[C@H]([NH3+])CN(C)Cc1cc(Cl)ccc1O ZINC001236865318 979770470 /nfs/dbraw/zinc/77/04/70/979770470.db2.gz IQJARILRMGJDMH-NSHDSACASA-N 1 0 242.750 2.215 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001203561334 979773512 /nfs/dbraw/zinc/77/35/12/979773512.db2.gz QPJASXWZRBVDBF-PWSUYJOCSA-N 1 0 203.285 2.377 20 10 BECDRO Cc1cccc(O)c1CN1Cc2cncnc2C1 ZINC001237483797 979912046 /nfs/dbraw/zinc/91/20/46/979912046.db2.gz UNOXWSMZWUWWTF-UHFFFAOYSA-N 1 0 241.294 2.006 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001237486243 979913376 /nfs/dbraw/zinc/91/33/76/979913376.db2.gz ZKXIUOMILAIBOL-WFASDCNBSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001237484683 979913821 /nfs/dbraw/zinc/91/38/21/979913821.db2.gz HOWYZSIXLJNALB-HNNXBMFYSA-N 1 0 247.338 2.456 20 10 BECDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1O ZINC001237496273 979921819 /nfs/dbraw/zinc/92/18/19/979921819.db2.gz XSBYPWBTQRTDLU-ZDUSSCGKSA-N 1 0 233.311 2.254 20 10 BECDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077430002 980877038 /nfs/dbraw/zinc/87/70/38/980877038.db2.gz INLWSIHJEKHMTO-VXGBXAGGSA-N 1 0 249.354 2.118 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)CN ZINC001348852842 981460869 /nfs/dbraw/zinc/46/08/69/981460869.db2.gz QCAPTHDKOBVPQG-VWYCJHECSA-N 1 0 234.343 2.186 20 10 BECDRO C/C=C(\NC=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001240760737 981808534 /nfs/dbraw/zinc/80/85/34/981808534.db2.gz KPDLNSAVMDDMMK-VVHNFQOZSA-N 1 0 245.326 2.081 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)cc1O ZINC001203875505 982559340 /nfs/dbraw/zinc/55/93/40/982559340.db2.gz OEFSMUJVCBOYOE-LLVKDONJSA-N 1 0 239.290 2.422 20 10 BECDRO Nc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1 ZINC001352788807 982579764 /nfs/dbraw/zinc/57/97/64/982579764.db2.gz HPBMHUHIMVEGHM-AWEZNQCLSA-N 1 0 246.354 2.460 20 10 BECDRO COC1(C[N@H+](C)Cc2ccccc2O)CCC1 ZINC001352826955 982592393 /nfs/dbraw/zinc/59/23/93/982592393.db2.gz ZCRKVWIIJLTLLL-UHFFFAOYSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@H]2CN)c1 ZINC001205831646 982679611 /nfs/dbraw/zinc/67/96/11/982679611.db2.gz YFWXFXZVJOEKDF-JSGCOSHPSA-N 1 0 248.370 2.260 20 10 BECDRO Oc1cc2c(cc1O)C[N@H+](CC1CC1)CCC2 ZINC001201951412 983520112 /nfs/dbraw/zinc/52/01/12/983520112.db2.gz IXOJVARQRAOFLJ-UHFFFAOYSA-N 1 0 233.311 2.256 20 10 BECDRO Cc1cc(N(C)C)cc(C)c1C1=CC[NH2+]C1 ZINC001243110575 984573829 /nfs/dbraw/zinc/57/38/29/984573829.db2.gz HEVVSEZRNDZITH-UHFFFAOYSA-N 1 0 216.328 2.356 20 10 BECDRO Cc1cc(C2=CC[NH2+]C2)ccc1N(C)C ZINC001243111307 984575544 /nfs/dbraw/zinc/57/55/44/984575544.db2.gz JJEAGMMYZBDMKG-UHFFFAOYSA-N 1 0 202.301 2.048 20 10 BECDRO Cc1cc2c(cccc2C2=CC[NH2+]C2)n1C ZINC001243116068 984588191 /nfs/dbraw/zinc/58/81/91/984588191.db2.gz QJCNAVKNQQFYAJ-UHFFFAOYSA-N 1 0 212.296 2.473 20 10 BECDRO CCc1cccc(C[N@H+](C)[C@H]2CCOC2)c1O ZINC000692107125 985412555 /nfs/dbraw/zinc/41/25/55/985412555.db2.gz CFRFZJKVVGDYFQ-ZDUSSCGKSA-N 1 0 235.327 2.175 20 10 BECDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2O)CO1 ZINC000688441254 985638832 /nfs/dbraw/zinc/63/88/32/985638832.db2.gz WBSJUCCYHVUIQH-STQMWFEESA-N 1 0 235.327 2.358 20 10 BECDRO CCn1cc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000688472570 985652841 /nfs/dbraw/zinc/65/28/41/985652841.db2.gz DXOREACGPCACMU-LLVKDONJSA-N 1 0 245.326 2.459 20 10 BECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CO1 ZINC000688536841 985672141 /nfs/dbraw/zinc/67/21/41/985672141.db2.gz PWOUEUQATSGOFY-ZFWWWQNUSA-N 1 0 248.370 2.410 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)c1O ZINC001462683588 986500315 /nfs/dbraw/zinc/50/03/15/986500315.db2.gz KPSUOLKBGCNWEC-BFHYXJOUSA-N 1 0 247.338 2.364 20 10 BECDRO Nc1ccc(C[NH2+]C[C@H]2CCCS2)cc1 ZINC001580445586 986852181 /nfs/dbraw/zinc/85/21/81/986852181.db2.gz LMIDAQUMBORPRC-GFCCVEGCSA-N 1 0 222.357 2.254 20 10 BECDRO Nc1ccc(C[NH2+]C2CC(C(F)F)C2)cc1 ZINC001580445657 986853475 /nfs/dbraw/zinc/85/34/75/986853475.db2.gz NRJUONZEBBXVTI-UHFFFAOYSA-N 1 0 226.270 2.402 20 10 BECDRO Cn1ccc2c1cc[nH+]c2-c1ccc2nncn2c1 ZINC001245658403 987044234 /nfs/dbraw/zinc/04/42/34/987044234.db2.gz VBDSYQJPCSXZJL-UHFFFAOYSA-N 1 0 249.277 2.283 20 10 BECDRO C[C@@H](N[C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1O ZINC001246301696 987696277 /nfs/dbraw/zinc/69/62/77/987696277.db2.gz UZJWVTAPQAGZCU-TUAOUCFPSA-N 1 0 234.343 2.183 20 10 BECDRO Cc1cc(C)c(CN[C@@H]2CC[C@H](C)[NH2+]C2)c(O)c1 ZINC001246344784 987752723 /nfs/dbraw/zinc/75/27/23/987752723.db2.gz SKSPSGCMNFKUPK-QWHCGFSZSA-N 1 0 248.370 2.239 20 10 BECDRO CC[C@@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1[O-] ZINC001326474093 989575145 /nfs/dbraw/zinc/57/51/45/989575145.db2.gz RXQSGIKKUBJWIM-GFCCVEGCSA-N 1 0 240.322 2.311 20 10 BECDRO Cc1c(CN(C)C2COC2)c2ccccc2n1C ZINC001138256771 990903395 /nfs/dbraw/zinc/90/33/95/990903395.db2.gz KAFDZKVKBNDRID-UHFFFAOYSA-N 1 0 244.338 2.317 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001140063562 991518074 /nfs/dbraw/zinc/51/80/74/991518074.db2.gz SIVZKRPOVJLTSQ-UWJYBYFXSA-N 1 0 239.265 2.321 20 10 BECDRO Cc1ccc(C)c(C[NH+]2CC3(C2)CCOC3)c1O ZINC001140178577 991549234 /nfs/dbraw/zinc/54/92/34/991549234.db2.gz PIGNOCLUKKSXDZ-UHFFFAOYSA-N 1 0 247.338 2.231 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC001140178751 991551128 /nfs/dbraw/zinc/55/11/28/991551128.db2.gz WNVPYTMXXWNGCW-TZMCWYRMSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCC(=O)[C@H](C)C2)c1O ZINC001140178623 991551301 /nfs/dbraw/zinc/55/13/01/991551301.db2.gz QYXRWVNAFAOMJQ-GFCCVEGCSA-N 1 0 247.338 2.420 20 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COCC1C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140461934 991643439 /nfs/dbraw/zinc/64/34/39/991643439.db2.gz ZAMVEUQWGQLQQX-UHFFFAOYSA-N 1 0 241.718 2.124 20 10 BECDRO C[NH2+]CCN[C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001261423621 992292396 /nfs/dbraw/zinc/29/23/96/992292396.db2.gz ANCZGBTVCGCZLO-MNOVXSKESA-N 1 0 234.343 2.058 20 10 BECDRO COc1cc(O)c(C[NH2+]C2(C)CC2)cc1OC ZINC001320648428 992292675 /nfs/dbraw/zinc/29/26/75/992292675.db2.gz HVUAVVQYBTVBOE-UHFFFAOYSA-N 1 0 237.299 2.052 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2cc[nH]c(=O)c2)c1 ZINC000392790646 993882656 /nfs/dbraw/zinc/88/26/56/993882656.db2.gz LBXUVRHMXFNDGB-UHFFFAOYSA-N 1 0 244.294 2.091 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCO ZINC000020188271 1170148162 /nfs/dbraw/zinc/14/81/62/1170148162.db2.gz KMIRJYXNWUYFJR-WDEREUQCSA-N 1 0 235.327 2.221 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](C)CO ZINC000035602680 1170180290 /nfs/dbraw/zinc/18/02/90/1170180290.db2.gz KYWWAQHUOOCLDJ-DCAQKATOSA-N 1 0 235.327 2.219 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)[C@H](C)O ZINC001615686622 1170528025 /nfs/dbraw/zinc/52/80/25/1170528025.db2.gz RSROWVGUFAHEBF-RYUDHWBXSA-N 1 0 237.343 2.374 20 10 BECDRO CC(C)c1ccc(O)c(C[N@H+](C)CCCO)c1 ZINC001621278894 1170762488 /nfs/dbraw/zinc/76/24/88/1170762488.db2.gz GDVDHZCIKZDENQ-UHFFFAOYSA-N 1 0 237.343 2.330 20 10 BECDRO OC/C=C/C[NH2+]Cc1ccc2ccccc2c1O ZINC001621432080 1170806848 /nfs/dbraw/zinc/80/68/48/1170806848.db2.gz GDBRKZSKANQDFP-ONEGZZNKSA-N 1 0 243.306 2.184 20 10 BECDRO Nc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000041079487 1171166469 /nfs/dbraw/zinc/16/64/69/1171166469.db2.gz AQMVJAZMUFMUCN-CYBMUJFWSA-N 1 0 246.354 2.270 20 10 BECDRO COCC[N@@H+](Cc1ccc(N)cc1)CC(C)C ZINC000044412273 1171382030 /nfs/dbraw/zinc/38/20/30/1171382030.db2.gz DUERCLLLAWNIPM-UHFFFAOYSA-N 1 0 236.359 2.373 20 10 BECDRO Cc1cc(C[NH2+]Cc2cccc(C)c2O)on1 ZINC000127877525 178026083 /nfs/dbraw/zinc/02/60/83/178026083.db2.gz JONTVTQUZBDXKH-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)CCN(C)C)cc1C ZINC000289870929 178196419 /nfs/dbraw/zinc/19/64/19/178196419.db2.gz RIXNOSVJHUKTNB-UHFFFAOYSA-N 1 0 236.359 2.002 20 10 BECDRO Cc1n[nH]cc1C[N@@H+](C)Cc1ccccc1O ZINC000091974714 398304045 /nfs/dbraw/zinc/30/40/45/398304045.db2.gz AUFNSYVHKPCMIS-UHFFFAOYSA-N 1 0 231.299 2.056 20 10 BECDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000119901461 398336507 /nfs/dbraw/zinc/33/65/07/398336507.db2.gz YSPYIBVGECSNAV-FZMZJTMJSA-N 1 0 234.343 2.020 20 10 BECDRO CC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000020085790 342968379 /nfs/dbraw/zinc/96/83/79/342968379.db2.gz VYGWVEPKLKEOFF-SECBINFHSA-N 1 0 209.289 2.289 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)CC(C)(C)O ZINC000076074346 344021350 /nfs/dbraw/zinc/02/13/50/344021350.db2.gz MBLIDJUYUZSSHS-UHFFFAOYSA-N 1 0 237.343 2.375 20 10 BECDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccccc1O ZINC000037158177 343337273 /nfs/dbraw/zinc/33/72/73/343337273.db2.gz UHBGXNDXCCHFET-RYUDHWBXSA-N 1 0 245.326 2.328 20 10 BECDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccccc1O ZINC000037158179 343337475 /nfs/dbraw/zinc/33/74/75/343337475.db2.gz UHBGXNDXCCHFET-NEPJUHHUSA-N 1 0 245.326 2.328 20 10 BECDRO CC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1O ZINC000037738067 343353511 /nfs/dbraw/zinc/35/35/11/343353511.db2.gz OZUSVYXHPXICGZ-AAEUAGOBSA-N 1 0 235.327 2.469 20 10 BECDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000040773747 187264033 /nfs/dbraw/zinc/26/40/33/187264033.db2.gz LMHYWINLSCFBQN-NWDGAFQWSA-N 1 0 237.343 2.450 20 10 BECDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccccc1O ZINC000179563164 346989274 /nfs/dbraw/zinc/98/92/74/346989274.db2.gz YMDKHMQKKJNBNQ-UHFFFAOYSA-N 1 0 245.326 2.148 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)O)cc1 ZINC000179585983 187308292 /nfs/dbraw/zinc/30/82/92/187308292.db2.gz ZOXXGUQFOHMLFX-VXGBXAGGSA-N 1 0 236.359 2.174 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C)c(O)c1 ZINC000038088170 178891651 /nfs/dbraw/zinc/89/16/51/178891651.db2.gz VGCJTBIUIDVLQF-RYUDHWBXSA-N 1 0 236.359 2.301 20 10 BECDRO CC(C)(CCCO)C[NH2+]Cc1ccccc1O ZINC000221390805 187319973 /nfs/dbraw/zinc/31/99/73/187319973.db2.gz QYUAMFRGQQTUOM-UHFFFAOYSA-N 1 0 237.343 2.281 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@@H](N(C)C)C2)c1O ZINC000124586244 179074872 /nfs/dbraw/zinc/07/48/72/179074872.db2.gz ZBDFLTSMOLXHLH-CQSZACIVSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(C[N@@H+](C)Cc2cnn(C)c2)c1O ZINC000179601687 179070157 /nfs/dbraw/zinc/07/01/57/179070157.db2.gz NDWZWOXONLAUDN-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO Cc1cccc(C[NH+]2CCC([C@H](C)O)CC2)c1O ZINC000271736291 179073575 /nfs/dbraw/zinc/07/35/75/179073575.db2.gz OPBXXTFSYDBKTD-LBPRGKRZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1O ZINC000271870945 179067969 /nfs/dbraw/zinc/06/79/69/179067969.db2.gz SDKMYWDNMIWTEE-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1O ZINC000224918484 179097793 /nfs/dbraw/zinc/09/77/93/179097793.db2.gz CRIHQLAQYLBQMF-WCQYABFASA-N 1 0 235.327 2.358 20 10 BECDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000160466224 346454404 /nfs/dbraw/zinc/45/44/04/346454404.db2.gz VZFCQOOICNMUKG-LBPRGKRZSA-N 1 0 235.327 2.439 20 10 BECDRO Cc1cccc(C[NH2+]CCCCCCO)c1O ZINC000083365124 179090629 /nfs/dbraw/zinc/09/06/29/179090629.db2.gz OMGIZFJUROUUAM-UHFFFAOYSA-N 1 0 237.343 2.343 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2C[C@@H]2C)c1O ZINC000162517717 179094677 /nfs/dbraw/zinc/09/46/77/179094677.db2.gz KPGSEGBANNYWPN-CMPLNLGQSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1c(C[NH2+]Cc2cccc(C)c2O)cnn1C ZINC000224941009 179095460 /nfs/dbraw/zinc/09/54/60/179095460.db2.gz LQUUGMIEGRSZQR-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCSC2)c1O ZINC000224888918 179097370 /nfs/dbraw/zinc/09/73/70/179097370.db2.gz DCAWCGLOYWPWAI-LLVKDONJSA-N 1 0 223.341 2.296 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](CCO)C(C)C)c1O ZINC000224869034 179098892 /nfs/dbraw/zinc/09/88/92/179098892.db2.gz DCKXOXQKPPXKES-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCOC[C@@H]2C)c1O ZINC000277321565 179101279 /nfs/dbraw/zinc/10/12/79/179101279.db2.gz CCTNLAPLZLNPTK-AAEUAGOBSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2CCO)c1O ZINC000190303586 179101664 /nfs/dbraw/zinc/10/16/64/179101664.db2.gz OXYIWWGLQNWCHJ-JSGCOSHPSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ncc(C[NH2+]Cc2ccccc2O)s1 ZINC000040997374 180153926 /nfs/dbraw/zinc/15/39/26/180153926.db2.gz IGMYEIYAOWZAMW-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO CC(C)(CCO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000231398779 191140111 /nfs/dbraw/zinc/14/01/11/191140111.db2.gz NPJZHMOYYTZKHU-UHFFFAOYSA-N 1 0 249.354 2.120 20 10 BECDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1cccc(C)c1 ZINC000637906099 351779218 /nfs/dbraw/zinc/77/92/18/351779218.db2.gz XNJGXGHDEDEOMD-ZDUSSCGKSA-N 1 0 244.338 2.395 20 10 BECDRO [O-]c1c(Cl)cccc1C[NH2+]CCF ZINC000280847952 188031981 /nfs/dbraw/zinc/03/19/81/188031981.db2.gz ZCBOBCSBDUPTTC-UHFFFAOYSA-N 1 0 203.644 2.105 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CO)c(O)c1C ZINC000134926150 538109456 /nfs/dbraw/zinc/10/94/56/538109456.db2.gz JTHYPPRAYPZDCP-ONGXEEELSA-N 1 0 223.316 2.040 20 10 BECDRO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296207699 188269768 /nfs/dbraw/zinc/26/97/68/188269768.db2.gz ZFBBEXPBOIEETQ-QWHCGFSZSA-N 1 0 249.354 2.376 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCCO2)c1 ZINC000071408550 188305663 /nfs/dbraw/zinc/30/56/63/188305663.db2.gz NEPBORBIXQUXBM-CYBMUJFWSA-N 1 0 235.327 2.359 20 10 BECDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000071207009 188305736 /nfs/dbraw/zinc/30/57/36/188305736.db2.gz TZCQTGWYUOTWEU-GXSJLCMTSA-N 1 0 249.310 2.399 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCc2ccccn2)c1 ZINC000071406076 188305889 /nfs/dbraw/zinc/30/58/89/188305889.db2.gz XKTIUFFPADMNIX-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO C[C@H](CO)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230159318 353469702 /nfs/dbraw/zinc/46/97/02/353469702.db2.gz ZWEUMWJRKUHRPZ-LBPRGKRZSA-N 1 0 249.354 2.120 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000134145277 358781713 /nfs/dbraw/zinc/78/17/13/358781713.db2.gz INRRTTGCCKHUSE-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000093820624 360281948 /nfs/dbraw/zinc/28/19/48/360281948.db2.gz KVMJAEPLCHWCBO-HNNXBMFYSA-N 1 0 247.338 2.313 20 10 BECDRO CC1(C)CC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000290187432 364699170 /nfs/dbraw/zinc/69/91/70/364699170.db2.gz SOIYAPOYAJDYGB-ZDUSSCGKSA-N 1 0 249.310 2.399 20 10 BECDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296252901 364783980 /nfs/dbraw/zinc/78/39/80/364783980.db2.gz BHXKYNJDIDZYKB-KGYLQXTDSA-N 1 0 247.338 2.129 20 10 BECDRO OCCCCCC[NH2+]Cc1ccccc1O ZINC000083352843 183043413 /nfs/dbraw/zinc/04/34/13/183043413.db2.gz OJSWVKIQWOAWKG-UHFFFAOYSA-N 1 0 223.316 2.035 20 10 BECDRO O[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000252702529 183202294 /nfs/dbraw/zinc/20/22/94/183202294.db2.gz HTTOEPDBGUTNLJ-HDJSIYSDSA-N 1 0 247.338 2.015 20 10 BECDRO Oc1ccc(Br)cc1C[NH2+]CCF ZINC000280816240 183266809 /nfs/dbraw/zinc/26/68/09/183266809.db2.gz USSXPRMJOXOURW-UHFFFAOYSA-N 1 0 248.095 2.214 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+]C1CCOCC1 ZINC000036319482 183273661 /nfs/dbraw/zinc/27/36/61/183273661.db2.gz QKCTYUPQSHPWHS-UHFFFAOYSA-N 1 0 241.718 2.314 20 10 BECDRO Oc1cc2c(cc1C[NH2+]CC1CCC1)OCO2 ZINC000042879687 183261627 /nfs/dbraw/zinc/26/16/27/183261627.db2.gz WWSJQKBQEKPDSH-UHFFFAOYSA-N 1 0 235.283 2.011 20 10 BECDRO Oc1cccc(Cl)c1C[NH2+]C1CCOCC1 ZINC000083552138 183292453 /nfs/dbraw/zinc/29/24/53/183292453.db2.gz YEYXXWLELIQMRP-UHFFFAOYSA-N 1 0 241.718 2.314 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000297170150 183296736 /nfs/dbraw/zinc/29/67/36/183296736.db2.gz DKAOPSRPCKDYMW-RYUDHWBXSA-N 1 0 233.311 2.148 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245605525 183300925 /nfs/dbraw/zinc/30/09/25/183300925.db2.gz MEDLBVSQORUUKF-ZFWWWQNUSA-N 1 0 247.338 2.393 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291209626 183302487 /nfs/dbraw/zinc/30/24/87/183302487.db2.gz IIZAVNDUCMQKID-ZDUSSCGKSA-N 1 0 243.310 2.036 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1CF ZINC000293989893 183302531 /nfs/dbraw/zinc/30/25/31/183302531.db2.gz LOSMSUORXMGJJE-LLVKDONJSA-N 1 0 209.264 2.326 20 10 BECDRO Oc1ccccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000378165189 183303300 /nfs/dbraw/zinc/30/33/00/183303300.db2.gz XJHUUJLFGHPGBC-LBPRGKRZSA-N 1 0 243.310 2.283 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000042811948 183303578 /nfs/dbraw/zinc/30/35/78/183303578.db2.gz JVWNKFFFGMJOCU-LBPRGKRZSA-N 1 0 221.300 2.051 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000378165184 183304010 /nfs/dbraw/zinc/30/40/10/183304010.db2.gz XJHUUJLFGHPGBC-GFCCVEGCSA-N 1 0 243.310 2.283 20 10 BECDRO c1cc(C[NH2+]CC2CC2)cc2c1OCC2 ZINC000037362356 183368058 /nfs/dbraw/zinc/36/80/58/183368058.db2.gz HZJSGKQWTBYHHR-UHFFFAOYSA-N 1 0 203.285 2.121 20 10 BECDRO c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc2c1OCC2 ZINC000152913239 183368318 /nfs/dbraw/zinc/36/83/18/183368318.db2.gz BWKKEHMITVNAID-NFAWXSAZSA-N 1 0 245.322 2.031 20 10 BECDRO CCC[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000019902635 169370455 /nfs/dbraw/zinc/37/04/55/169370455.db2.gz UCRFBYJIHWQKMS-SECBINFHSA-N 1 0 209.289 2.376 20 10 BECDRO CCC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879111 169370616 /nfs/dbraw/zinc/37/06/16/169370616.db2.gz QZDJHFOEEVXSJW-SECBINFHSA-N 1 0 237.299 2.399 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1ccccc1O ZINC000087358110 383827777 /nfs/dbraw/zinc/82/77/77/383827777.db2.gz NEVWYRKWBFCXHF-WDEREUQCSA-N 1 0 223.316 2.204 20 10 BECDRO CC[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628935 383866870 /nfs/dbraw/zinc/86/68/70/383866870.db2.gz WHKCSGAYJHVSRC-MNOVXSKESA-N 1 0 223.316 2.122 20 10 BECDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccccc1O ZINC000037267151 383968311 /nfs/dbraw/zinc/96/83/11/383968311.db2.gz COJBMBZRDXKKEX-NSHDSACASA-N 1 0 234.343 2.137 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000037362953 383973719 /nfs/dbraw/zinc/97/37/19/383973719.db2.gz RHIRFUCKRBQEQM-BXUZGUMPSA-N 1 0 247.338 2.279 20 10 BECDRO CCC[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000113342293 383976966 /nfs/dbraw/zinc/97/69/66/383976966.db2.gz SZJODQIMEJYHEN-SECBINFHSA-N 1 0 243.734 2.296 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N(C)C)c1 ZINC000038088026 384067345 /nfs/dbraw/zinc/06/73/45/384067345.db2.gz BBAARNRQHWOGSC-RYUDHWBXSA-N 1 0 236.359 2.301 20 10 BECDRO CC[C@@H](COC)[NH2+]Cc1cc(C)ccc1O ZINC000070625045 384124392 /nfs/dbraw/zinc/12/43/92/384124392.db2.gz ORQIKCXEQRUNGZ-LBPRGKRZSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cn2ccnc2)c1 ZINC000071407952 384165806 /nfs/dbraw/zinc/16/58/06/384165806.db2.gz IUIFRBLWFJEDFA-LBPRGKRZSA-N 1 0 245.326 2.075 20 10 BECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000042879745 384250460 /nfs/dbraw/zinc/25/04/60/384250460.db2.gz RCEFKTVDHRVNLM-MRVPVSSYSA-N 1 0 235.283 2.009 20 10 BECDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618374 384307527 /nfs/dbraw/zinc/30/75/27/384307527.db2.gz OHIGBBFVRRXDBX-ZANVPECISA-N 1 0 241.306 2.343 20 10 BECDRO C[C@@H]([NH2+]C1CCOCC1)c1cc(F)ccc1O ZINC000094617136 384308233 /nfs/dbraw/zinc/30/82/33/384308233.db2.gz LGFNPTAFNOMYMT-SECBINFHSA-N 1 0 239.290 2.361 20 10 BECDRO C[C@H]([NH2+][C@H]1CCCOC1)c1cc(F)ccc1O ZINC000094618209 384308345 /nfs/dbraw/zinc/30/83/45/384308345.db2.gz JCDJZNORIKRTPK-ONGXEEELSA-N 1 0 239.290 2.361 20 10 BECDRO C[C@@H]([NH2+]CC1(C)COC1)c1cc(F)ccc1O ZINC000094721963 384309675 /nfs/dbraw/zinc/30/96/75/384309675.db2.gz CDUUKUFILYQHRU-SECBINFHSA-N 1 0 239.290 2.218 20 10 BECDRO C[C@@H](CCCO)[NH2+]Cc1c(O)cccc1Cl ZINC000095016429 384327101 /nfs/dbraw/zinc/32/71/01/384327101.db2.gz CMDPQNBUJRBZHE-VIFPVBQESA-N 1 0 243.734 2.296 20 10 BECDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134904656 384398685 /nfs/dbraw/zinc/39/86/85/384398685.db2.gz JREGTZXMLWDEAK-WPRPVWTQSA-N 1 0 243.734 2.467 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1O ZINC000019963526 384563033 /nfs/dbraw/zinc/56/30/33/384563033.db2.gz YZURDEZFFUJSAQ-GHMZBOCLSA-N 1 0 221.300 2.222 20 10 BECDRO C[C@H](CO)[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000123207430 384539371 /nfs/dbraw/zinc/53/93/71/384539371.db2.gz ZRPSFUUYQJYEQH-BDAKNGLRSA-N 1 0 243.734 2.152 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000020205244 384599574 /nfs/dbraw/zinc/59/95/74/384599574.db2.gz JNBHFLYVHNWYBQ-IUODEOHRSA-N 1 0 248.370 2.410 20 10 BECDRO CSC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000124971766 384686161 /nfs/dbraw/zinc/68/61/61/384686161.db2.gz PQNGRNOWMNPKFF-SNVBAGLBSA-N 1 0 237.368 2.463 20 10 BECDRO COC[C@H](C)C[NH2+]Cc1cccc(C)c1O ZINC000162832856 384691684 /nfs/dbraw/zinc/69/16/84/384691684.db2.gz ZHZMAPBXFGHLQV-SNVBAGLBSA-N 1 0 223.316 2.073 20 10 BECDRO CC[C@H](COC)[NH2+]Cc1cccc(C)c1O ZINC000162867615 384699826 /nfs/dbraw/zinc/69/98/26/384699826.db2.gz KKMSDOLCXGXKEY-GFCCVEGCSA-N 1 0 223.316 2.215 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000051990108 384708534 /nfs/dbraw/zinc/70/85/34/384708534.db2.gz SWKHRQGZECGKRC-GJZGRUSLSA-N 1 0 248.370 2.146 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)O)c(O)c1 ZINC000083461343 384773721 /nfs/dbraw/zinc/77/37/21/384773721.db2.gz DZIRWBJSNZSHOE-JTQLQIEISA-N 1 0 223.316 2.122 20 10 BECDRO CCN(C)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000054110018 384823104 /nfs/dbraw/zinc/82/31/04/384823104.db2.gz ZNRGFLUROQHIOC-GFCCVEGCSA-N 1 0 236.359 2.303 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CO)cc1 ZINC000127543969 384913218 /nfs/dbraw/zinc/91/32/18/384913218.db2.gz PFVWMRSCJRAECM-RYUDHWBXSA-N 1 0 236.359 2.174 20 10 BECDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000085981150 384977702 /nfs/dbraw/zinc/97/77/02/384977702.db2.gz WCNYBEDFVIMSSG-RYUDHWBXSA-N 1 0 236.359 2.174 20 10 BECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000128564749 385047593 /nfs/dbraw/zinc/04/75/93/385047593.db2.gz AJJSDMKNBJIRDT-NWDGAFQWSA-N 1 0 236.359 2.266 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000189942263 385199725 /nfs/dbraw/zinc/19/97/25/385199725.db2.gz QYFNPGMYYINFRH-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccccc1O ZINC000189315857 385144368 /nfs/dbraw/zinc/14/43/68/385144368.db2.gz QJRFETVGNWMENF-UTUOFQBUSA-N 1 0 235.327 2.204 20 10 BECDRO CSCCC[NH2+]Cc1ccccc1O ZINC000068997666 385240966 /nfs/dbraw/zinc/24/09/66/385240966.db2.gz MJZWLBCPRSQPPI-UHFFFAOYSA-N 1 0 211.330 2.235 20 10 BECDRO CC1(C)OCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000294911524 385308553 /nfs/dbraw/zinc/30/85/53/385308553.db2.gz YAOHLZQPOZDOTP-GFCCVEGCSA-N 1 0 239.290 2.188 20 10 BECDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000191205589 385292698 /nfs/dbraw/zinc/29/26/98/385292698.db2.gz KNLXFFVCVJGPRN-DTWKUNHWSA-N 1 0 227.279 2.217 20 10 BECDRO C[C@@H]([NH2+]CCCCCO)c1cc(F)ccc1O ZINC000192931048 385375804 /nfs/dbraw/zinc/37/58/04/385375804.db2.gz CGVHFVPNCNEGIO-SNVBAGLBSA-N 1 0 241.306 2.345 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C(C)C)c1 ZINC000168774827 385384488 /nfs/dbraw/zinc/38/44/88/385384488.db2.gz SSDWPECDKFPJQJ-RISCZKNCSA-N 1 0 237.343 2.368 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C(C)C)c1 ZINC000168775026 385385305 /nfs/dbraw/zinc/38/53/05/385385305.db2.gz SSDWPECDKFPJQJ-BXUZGUMPSA-N 1 0 237.343 2.368 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn[nH]c2)c(O)c1 ZINC000289768102 385399763 /nfs/dbraw/zinc/39/97/63/385399763.db2.gz LZZFVLMPLFSDMH-LLVKDONJSA-N 1 0 245.326 2.317 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](C)O1 ZINC000179563391 385474763 /nfs/dbraw/zinc/47/47/63/385474763.db2.gz AKIIDPHMIZDKBI-WCQYABFASA-N 1 0 235.327 2.392 20 10 BECDRO CCC(O)(CC)C[NH2+]Cc1cc(F)ccc1O ZINC000180540107 385528825 /nfs/dbraw/zinc/52/88/25/385528825.db2.gz YBKNMAHZOKVSHJ-UHFFFAOYSA-N 1 0 241.306 2.172 20 10 BECDRO COC[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000211417174 385683910 /nfs/dbraw/zinc/68/39/10/385683910.db2.gz YLKYUGPFERIPNT-LBPRGKRZSA-N 1 0 235.327 2.169 20 10 BECDRO CO[C@@]1(C)CCC[N@H+](Cc2ccccc2O)C1 ZINC000230299915 385727809 /nfs/dbraw/zinc/72/78/09/385727809.db2.gz BHXRQSSZZCFJQD-AWEZNQCLSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](CCO)C(C)C)c1 ZINC000230690479 385750513 /nfs/dbraw/zinc/75/05/13/385750513.db2.gz WNUJYOSRQPHEJR-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1O ZINC000183448330 385762538 /nfs/dbraw/zinc/76/25/38/385762538.db2.gz ZZSJETRYQCZQGR-RYUDHWBXSA-N 1 0 234.343 2.137 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000271204814 385803929 /nfs/dbraw/zinc/80/39/29/385803929.db2.gz VOZIKSISFUZGII-GXTWGEPZSA-N 1 0 249.354 2.436 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCC[C@@H]1O ZINC000272587413 385915207 /nfs/dbraw/zinc/91/52/07/385915207.db2.gz HIJKCXIFKZCQPB-ZFWWWQNUSA-N 1 0 249.354 2.375 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCO)c(O)c1C ZINC000273359231 385992632 /nfs/dbraw/zinc/99/26/32/385992632.db2.gz ABQJCUFUPBTCAV-ZYHUDNBSSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)O)c(O)c1C ZINC000273581503 386015454 /nfs/dbraw/zinc/01/54/54/386015454.db2.gz MSEGSLJJLZLUOP-PWSUYJOCSA-N 1 0 237.343 2.431 20 10 BECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1C ZINC000234932028 386119997 /nfs/dbraw/zinc/11/99/97/386119997.db2.gz YCKNCSSWAUNGJG-KBPBESRZSA-N 1 0 249.354 2.254 20 10 BECDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000225816510 386219478 /nfs/dbraw/zinc/21/94/78/386219478.db2.gz VZWHUTVQFFVSCQ-AWEZNQCLSA-N 1 0 237.343 2.279 20 10 BECDRO CC(C)n1cc(C[NH2+]Cc2ccccc2O)cn1 ZINC000226243435 386242267 /nfs/dbraw/zinc/24/22/67/386242267.db2.gz HHQRUHDBXLBFFF-UHFFFAOYSA-N 1 0 245.326 2.459 20 10 BECDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000227374944 386481671 /nfs/dbraw/zinc/48/16/71/386481671.db2.gz MPPDHRKDFGAYEO-GFCCVEGCSA-N 1 0 237.343 2.279 20 10 BECDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccccc1O ZINC000278559643 386550001 /nfs/dbraw/zinc/55/00/01/386550001.db2.gz OZTIGFDMUFHJSJ-MDZLAQPJSA-N 1 0 235.327 2.468 20 10 BECDRO C[N@H+](CCCCCO)Cc1cc(F)ccc1O ZINC000279393837 386677113 /nfs/dbraw/zinc/67/71/13/386677113.db2.gz KLOXCDBNDHVDKN-UHFFFAOYSA-N 1 0 241.306 2.126 20 10 BECDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1O ZINC000295849261 386710405 /nfs/dbraw/zinc/71/04/05/386710405.db2.gz DUXIOKNSDLRWAR-UJNFCWOMSA-N 1 0 241.718 2.220 20 10 BECDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccccc1O ZINC000296241761 386711058 /nfs/dbraw/zinc/71/10/58/386711058.db2.gz CNSXOXUNPBCVMU-UTUOFQBUSA-N 1 0 235.327 2.204 20 10 BECDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(C)cc1O ZINC000296078546 386708656 /nfs/dbraw/zinc/70/86/56/386708656.db2.gz XEJRTFUWSOOCKN-LOWVWBTDSA-N 1 0 235.327 2.265 20 10 BECDRO COc1ccc(C[NH2+]CC23CC(C2)CO3)cc1C ZINC000527786448 387713007 /nfs/dbraw/zinc/71/30/07/387713007.db2.gz CWGDWQUYCNXEFM-UHFFFAOYSA-N 1 0 247.338 2.272 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC2COC2)c(O)c1C ZINC000528023046 387828137 /nfs/dbraw/zinc/82/81/37/387828137.db2.gz CCUFOMMPTGPAMA-LLVKDONJSA-N 1 0 235.327 2.306 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c(O)c1 ZINC000296026482 177874077 /nfs/dbraw/zinc/87/40/77/177874077.db2.gz SJCCEBCQBHUXFJ-SDDRHHMPSA-N 1 0 235.327 2.183 20 10 BECDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)C(C)(C)O ZINC000293564175 388390934 /nfs/dbraw/zinc/39/09/34/388390934.db2.gz GIBJAWCJWITEFF-LBPRGKRZSA-N 1 0 237.343 2.340 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC[C@@H](C)CCO)c1 ZINC000295141041 388409292 /nfs/dbraw/zinc/40/92/92/388409292.db2.gz PVGRIEVFFSSGKK-LLVKDONJSA-N 1 0 237.343 2.199 20 10 BECDRO CCOCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295989574 388415232 /nfs/dbraw/zinc/41/52/32/388415232.db2.gz NROSSGIBLCCNFW-NSHDSACASA-N 1 0 221.300 2.006 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cn[nH]c1 ZINC000296670249 388425106 /nfs/dbraw/zinc/42/51/06/388425106.db2.gz FUMUVMUVZLREHZ-SKDRFNHKSA-N 1 0 243.310 2.453 20 10 BECDRO CC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)OC ZINC000297490129 388429382 /nfs/dbraw/zinc/42/93/82/388429382.db2.gz ZXRZDDDPEVMKCY-RYUDHWBXSA-N 1 0 235.327 2.394 20 10 BECDRO C[C@H](CCO)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297459619 388429508 /nfs/dbraw/zinc/42/95/08/388429508.db2.gz XREUHZHZKGXUHC-AAEUAGOBSA-N 1 0 249.354 2.378 20 10 BECDRO CS[C@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000226617155 388724139 /nfs/dbraw/zinc/72/41/39/388724139.db2.gz QBBJVWGJMRJBTB-MRVPVSSYSA-N 1 0 229.320 2.372 20 10 BECDRO CO[C@H](C)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000264543723 388992789 /nfs/dbraw/zinc/99/27/89/388992789.db2.gz RWSYTBOFYMEHHU-GFCCVEGCSA-N 1 0 236.359 2.267 20 10 BECDRO COCc1ccc(C[NH2+]Cc2ccccc2O)o1 ZINC000268827217 389004344 /nfs/dbraw/zinc/00/43/44/389004344.db2.gz ZIDSEFRBIPKNEZ-UHFFFAOYSA-N 1 0 247.294 2.421 20 10 BECDRO CCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020088057 132330211 /nfs/dbraw/zinc/33/02/11/132330211.db2.gz JRPDNJOPEDCZLD-UHFFFAOYSA-N 1 0 248.370 2.413 20 10 BECDRO CC(C)OCCC[NH2+]Cc1ccccc1O ZINC000020197951 167223426 /nfs/dbraw/zinc/22/34/26/167223426.db2.gz NONJMMDTBUGEOP-UHFFFAOYSA-N 1 0 223.316 2.297 20 10 BECDRO CC1(CC[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000280477789 168020322 /nfs/dbraw/zinc/02/03/22/168020322.db2.gz DETGJNKEIKADSK-UHFFFAOYSA-N 1 0 249.310 2.401 20 10 BECDRO CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000016942158 170127598 /nfs/dbraw/zinc/12/75/98/170127598.db2.gz XBOZSVXPSHNJIL-UHFFFAOYSA-N 1 0 245.326 2.050 20 10 BECDRO CCOCC[N@H+](CC)Cc1ccccc1O ZINC000132733176 170395803 /nfs/dbraw/zinc/39/58/03/170395803.db2.gz IYWBFCOYWXEONI-UHFFFAOYSA-N 1 0 223.316 2.251 20 10 BECDRO CCOCC[N@H+](CC)Cc1ccc(N)cc1 ZINC000035361420 170396550 /nfs/dbraw/zinc/39/65/50/170396550.db2.gz AFMJTLIPFAQUNN-UHFFFAOYSA-N 1 0 222.332 2.127 20 10 BECDRO CC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083552509 171183290 /nfs/dbraw/zinc/18/32/90/171183290.db2.gz MTUWATSALAPBIQ-GFCCVEGCSA-N 1 0 243.734 2.296 20 10 BECDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccccc1O ZINC000217390360 171305755 /nfs/dbraw/zinc/30/57/55/171305755.db2.gz WRSZXYPVJDZHBH-LBPRGKRZSA-N 1 0 236.359 2.212 20 10 BECDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297794993 171378117 /nfs/dbraw/zinc/37/81/17/171378117.db2.gz QDQSQZAQUZUTDX-SUHUHFCYSA-N 1 0 249.354 2.376 20 10 BECDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccccc1O ZINC000163988146 171561698 /nfs/dbraw/zinc/56/16/98/171561698.db2.gz DGRMXFCVNKCNOQ-MNOVXSKESA-N 1 0 223.316 2.204 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000293021045 172551945 /nfs/dbraw/zinc/55/19/45/172551945.db2.gz FMFWLXDZPXIIFO-HNNXBMFYSA-N 1 0 248.370 2.099 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)N(C)C)cc1 ZINC000020125653 172552979 /nfs/dbraw/zinc/55/29/79/172552979.db2.gz GQKNBBPTCAHBMM-UHFFFAOYSA-N 1 0 249.402 2.182 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000075171627 172554685 /nfs/dbraw/zinc/55/46/85/172554685.db2.gz UKVYCJNCAXJRDV-ZDUSSCGKSA-N 1 0 234.343 2.021 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1O ZINC001652321038 1173060689 /nfs/dbraw/zinc/06/06/89/1173060689.db2.gz HACBOJHHAYOREO-RISCZKNCSA-N 1 0 249.354 2.157 20 10 BECDRO COCC1=CC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000187616475 174116859 /nfs/dbraw/zinc/11/68/59/174116859.db2.gz MKCHODMNZHIJHP-UHFFFAOYSA-N 1 0 247.338 2.479 20 10 BECDRO COCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000132707327 174280714 /nfs/dbraw/zinc/28/07/14/174280714.db2.gz IWVQNVLNEJLDTG-UHFFFAOYSA-N 1 0 229.707 2.124 20 10 BECDRO COCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037186349 174336389 /nfs/dbraw/zinc/33/63/89/174336389.db2.gz ONBXJFBJCLUHQK-UHFFFAOYSA-N 1 0 234.343 2.023 20 10 BECDRO COCC[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226589132 174384785 /nfs/dbraw/zinc/38/47/85/174384785.db2.gz FSNGYZGOLKJRGP-SECBINFHSA-N 1 0 227.279 2.046 20 10 BECDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000191651220 174850742 /nfs/dbraw/zinc/85/07/42/174850742.db2.gz YLBPQGDIDJNASS-GARJFASQSA-N 1 0 223.316 2.466 20 10 BECDRO CO[C@H](C[NH2+]Cc1cccc(C)c1O)C1CC1 ZINC000293763322 174867923 /nfs/dbraw/zinc/86/79/23/174867923.db2.gz XZMQBFXUSPMTRX-CYBMUJFWSA-N 1 0 235.327 2.215 20 10 BECDRO COc1ccc(O)c(C[N@H+](C)C2CCC2)c1 ZINC000180295134 175157037 /nfs/dbraw/zinc/15/70/37/175157037.db2.gz VZHMFPQIOFARNQ-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO COc1ccc(O)c(C[NH2+]C2CC(C)C2)c1 ZINC000162690024 175157446 /nfs/dbraw/zinc/15/74/46/175157446.db2.gz YJWYEYMREAQAHI-UHFFFAOYSA-N 1 0 221.300 2.289 20 10 BECDRO COc1ccc(O)c(C[NH2+]Cc2ccn(C)c2)c1 ZINC000125533123 175158563 /nfs/dbraw/zinc/15/85/63/175158563.db2.gz UITAYHDQSKJSPR-UHFFFAOYSA-N 1 0 246.310 2.029 20 10 BECDRO COc1ccc(O)c(C[NH2+]Cc2ccco2)c1 ZINC000020084142 175158905 /nfs/dbraw/zinc/15/89/05/175158905.db2.gz MGEUKZJSJOHSCD-UHFFFAOYSA-N 1 0 233.267 2.284 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@H](C)CSC)c1 ZINC000162657730 175158926 /nfs/dbraw/zinc/15/89/26/175158926.db2.gz IRRCDKJGLXYPGK-SECBINFHSA-N 1 0 241.356 2.242 20 10 BECDRO COc1ccc(O)c(C[NH2+]CC2CCC2)c1 ZINC000037179398 175159520 /nfs/dbraw/zinc/15/95/20/175159520.db2.gz UBPPFNDIBHOIPD-UHFFFAOYSA-N 1 0 221.300 2.291 20 10 BECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CC2)c1 ZINC000019884908 175160676 /nfs/dbraw/zinc/16/06/76/175160676.db2.gz WQABYHMHLBQASX-SECBINFHSA-N 1 0 221.300 2.461 20 10 BECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)OC)c1 ZINC000182434785 175160954 /nfs/dbraw/zinc/16/09/54/175160954.db2.gz LTLOZWOLUOYZNP-ZJUUUORDSA-N 1 0 239.315 2.086 20 10 BECDRO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC000093661110 175261054 /nfs/dbraw/zinc/26/10/54/175261054.db2.gz CTWXTNPESKNDEM-TXEJJXNPSA-N 1 0 247.338 2.489 20 10 BECDRO COc1cccc(C[NH2+]CCC2CC2)c1O ZINC000083893423 175263316 /nfs/dbraw/zinc/26/33/16/175263316.db2.gz BFJFZVVSANTYGK-UHFFFAOYSA-N 1 0 221.300 2.291 20 10 BECDRO COc1cccc(C[NH2+][C@@H](C)CSC)c1O ZINC000076768954 175266021 /nfs/dbraw/zinc/26/60/21/175266021.db2.gz OANYDHQRQRLHNX-VIFPVBQESA-N 1 0 241.356 2.242 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000226563343 176174668 /nfs/dbraw/zinc/17/46/68/176174668.db2.gz XTVZESCXSGFQMS-SECBINFHSA-N 1 0 209.264 2.373 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](C2CC2)O1 ZINC000366245721 176307222 /nfs/dbraw/zinc/30/72/22/176307222.db2.gz CQNMKKYRNFMGCC-IAQYHMDHSA-N 1 0 247.338 2.392 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC(C)(C)O1 ZINC000133105020 176307347 /nfs/dbraw/zinc/30/73/47/176307347.db2.gz IUAPEYFTTYJGDB-LLVKDONJSA-N 1 0 235.327 2.392 20 10 BECDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000191749615 176345067 /nfs/dbraw/zinc/34/50/67/176345067.db2.gz HQZGQBFNIKRFGY-IUODEOHRSA-N 1 0 248.370 2.267 20 10 BECDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CCN1C ZINC000179579725 176371423 /nfs/dbraw/zinc/37/14/23/176371423.db2.gz HFPNXVCRNNKZCV-OCCSQVGLSA-N 1 0 248.370 2.307 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000294656530 176378119 /nfs/dbraw/zinc/37/81/19/176378119.db2.gz CJEZRRPASUBUGB-LALPHHSUSA-N 1 0 248.370 2.408 20 10 BECDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000174963591 177163421 /nfs/dbraw/zinc/16/34/21/177163421.db2.gz NEUDUOIUDCEPGY-VHSXEESVSA-N 1 0 249.310 2.351 20 10 BECDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCCO1 ZINC000180064053 177260418 /nfs/dbraw/zinc/26/04/18/177260418.db2.gz UNDXYICXCHROEC-JTQLQIEISA-N 1 0 239.290 2.142 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H](C2CC2)O1 ZINC000366245722 177266688 /nfs/dbraw/zinc/26/66/88/177266688.db2.gz CQNMKKYRNFMGCC-NHYWBVRUSA-N 1 0 247.338 2.392 20 10 BECDRO C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000033882223 177292958 /nfs/dbraw/zinc/29/29/58/177292958.db2.gz QATLHXRCKJCWMN-NSHDSACASA-N 1 0 247.338 2.102 20 10 BECDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000191749601 177295104 /nfs/dbraw/zinc/29/51/04/177295104.db2.gz HQZGQBFNIKRFGY-WFASDCNBSA-N 1 0 248.370 2.267 20 10 BECDRO C[C@H]1CSCC[N@@H+]1Cc1ccccc1O ZINC000179575147 177305011 /nfs/dbraw/zinc/30/50/11/177305011.db2.gz YXOASKDNWHDQBA-JTQLQIEISA-N 1 0 223.341 2.330 20 10 BECDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000161304516 177370549 /nfs/dbraw/zinc/37/05/49/177370549.db2.gz IACBNKOVEXWZRD-CMPLNLGQSA-N 1 0 221.300 2.049 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@H](C)O ZINC001652462817 1173086334 /nfs/dbraw/zinc/08/63/34/1173086334.db2.gz IOEFZCWSSDESIY-LDYMZIIASA-N 1 0 243.734 2.295 20 10 BECDRO Cc1cccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1O ZINC000529640902 324369892 /nfs/dbraw/zinc/36/98/92/324369892.db2.gz DVEAHSQYKWUBJD-SWLSCSKDSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1ccc(O)c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000530176601 324507141 /nfs/dbraw/zinc/50/71/41/324507141.db2.gz CMUYWRLWBVLMQV-AWEZNQCLSA-N 1 0 246.354 2.075 20 10 BECDRO CC[C@H](N[C@@H](C)C[NH2+]C)c1ccc(N(C)C)cc1 ZINC000854230881 588781126 /nfs/dbraw/zinc/78/11/26/588781126.db2.gz BCOYKCNJWMBGGF-WFASDCNBSA-N 1 0 249.402 2.401 20 10 BECDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1c(C)cc(C)cc1O ZINC000854233135 588781227 /nfs/dbraw/zinc/78/12/27/588781227.db2.gz YCKQDCJQKOQWDE-NEPJUHHUSA-N 1 0 236.359 2.268 20 10 BECDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000854233294 588781512 /nfs/dbraw/zinc/78/15/12/588781512.db2.gz XSDMWDLBCZDENJ-NWDGAFQWSA-N 1 0 235.375 2.011 20 10 BECDRO C[NH2+]C[C@H](C)N[C@H](C)c1cc(Cl)ccc1O ZINC000854232187 588781606 /nfs/dbraw/zinc/78/16/06/588781606.db2.gz NZUQMHBLVQQNKG-DTWKUNHWSA-N 1 0 242.750 2.304 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C[C@@H](C)O)C2CC2)cc1C ZINC000848929102 582815480 /nfs/dbraw/zinc/81/54/80/582815480.db2.gz STFUGQZFGKJPBM-GFCCVEGCSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C/C=C\CO)c(O)c1C ZINC000850510267 582923552 /nfs/dbraw/zinc/92/35/52/582923552.db2.gz WYTGRPFFUNKXHL-QMAVJUDZSA-N 1 0 235.327 2.208 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000857061258 588884914 /nfs/dbraw/zinc/88/49/14/588884914.db2.gz NBBNZIYXJOKPNV-GXTWGEPZSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000877462078 583314399 /nfs/dbraw/zinc/31/43/99/583314399.db2.gz NOBJVSUAZWYRAV-AWEZNQCLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H](CO)CC(C)C ZINC000894200250 583336442 /nfs/dbraw/zinc/33/64/42/583336442.db2.gz KMCXGQRKTCBYGL-GFCCVEGCSA-N 1 0 237.343 2.197 20 10 BECDRO OC[C@H]1CCCCC[N@@H+]1Cc1ccccc1O ZINC000895151504 583606377 /nfs/dbraw/zinc/60/63/77/583606377.db2.gz JZMZNGLDCRNTKS-CYBMUJFWSA-N 1 0 235.327 2.129 20 10 BECDRO c1cc2c(cc1C[NH2+]C1CSC1)CCCO2 ZINC000895434225 583672675 /nfs/dbraw/zinc/67/26/75/583672675.db2.gz SYUXFKQHWAINMJ-UHFFFAOYSA-N 1 0 235.352 2.217 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000895622995 583697693 /nfs/dbraw/zinc/69/76/93/583697693.db2.gz MUODLDGJTZCQRZ-BJHJDKERSA-N 1 0 235.327 2.215 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895847886 583736501 /nfs/dbraw/zinc/73/65/01/583736501.db2.gz XFGQLZLZJZRSCV-DZGCQCFKSA-N 1 0 247.338 2.393 20 10 BECDRO COc1cccc(O)c1C[NH2+]C[C@H]1C=CCC1 ZINC000883238376 583758798 /nfs/dbraw/zinc/75/87/98/583758798.db2.gz ABBZDVYFLOBWER-NSHDSACASA-N 1 0 233.311 2.457 20 10 BECDRO CC1(C)C[C@H]([NH2+]Cc2c([O-])cccc2F)CO1 ZINC000896637561 583819594 /nfs/dbraw/zinc/81/95/94/583819594.db2.gz KLMAFXFVPQUBDZ-VIFPVBQESA-N 1 0 239.290 2.188 20 10 BECDRO C/C=C/C[NH2+]Cc1ccc(OCC)cc1O ZINC000858290133 588942223 /nfs/dbraw/zinc/94/22/23/588942223.db2.gz CNOHZPDCNISKQS-HWKANZROSA-N 1 0 221.300 2.457 20 10 BECDRO CCC[NH2+]CCNCc1cc(C)c(C)cc1O ZINC000841046338 584124252 /nfs/dbraw/zinc/12/42/52/584124252.db2.gz AJELAXYTRCSGIZ-UHFFFAOYSA-N 1 0 236.359 2.098 20 10 BECDRO C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1ccccc1O ZINC000902447886 584604497 /nfs/dbraw/zinc/60/44/97/584604497.db2.gz BSXCPXKIEVNXNX-GWCFXTLKSA-N 1 0 234.343 2.041 20 10 BECDRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1O ZINC000902447889 584605089 /nfs/dbraw/zinc/60/50/89/584605089.db2.gz BSXCPXKIEVNXNX-ZWNOBZJWSA-N 1 0 234.343 2.041 20 10 BECDRO CCn1cnc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000902642859 584645372 /nfs/dbraw/zinc/64/53/72/584645372.db2.gz JSKRKIIBVGYARK-LLVKDONJSA-N 1 0 245.326 2.459 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCN2C)c(O)c1 ZINC000903315890 584749585 /nfs/dbraw/zinc/74/95/85/584749585.db2.gz ABCLAERTGUNCLM-CHWSQXEVSA-N 1 0 248.370 2.364 20 10 BECDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1ccccc1O ZINC000903438803 584762497 /nfs/dbraw/zinc/76/24/97/584762497.db2.gz XFVABJJJKDFEOU-GDLCADMTSA-N 1 0 247.338 2.468 20 10 BECDRO COc1ccc(N(C)C[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000904330786 584865905 /nfs/dbraw/zinc/86/59/05/584865905.db2.gz CMVMKMYFQAMJES-AOOOYVTPSA-N 1 0 238.306 2.008 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H]1CCOC1 ZINC000876788593 584886821 /nfs/dbraw/zinc/88/68/21/584886821.db2.gz FSUIVZMJKPJARP-LBPRGKRZSA-N 1 0 235.327 2.169 20 10 BECDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)C1CC1 ZINC000877111419 584890576 /nfs/dbraw/zinc/89/05/76/584890576.db2.gz HKOYKPRKWAAGAM-ZDUSSCGKSA-N 1 0 235.327 2.215 20 10 BECDRO CC[C@@H](CCO)C[NH2+]Cc1c(C)cccc1O ZINC000877110848 584890578 /nfs/dbraw/zinc/89/05/78/584890578.db2.gz FCVQOAHHRAHXGJ-LBPRGKRZSA-N 1 0 237.343 2.199 20 10 BECDRO CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817958803 584992316 /nfs/dbraw/zinc/99/23/16/584992316.db2.gz MOSQDZNMHZCKBO-SKDRFNHKSA-N 1 0 240.322 2.165 20 10 BECDRO C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817977895 584994109 /nfs/dbraw/zinc/99/41/09/584994109.db2.gz RFHUPUJQQFPMGX-ZJUUUORDSA-N 1 0 240.322 2.309 20 10 BECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000839147298 585092312 /nfs/dbraw/zinc/09/23/12/585092312.db2.gz HKRJNXAONAUWRO-BETUJISGSA-N 1 0 235.327 2.358 20 10 BECDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC000839131511 585093752 /nfs/dbraw/zinc/09/37/52/585093752.db2.gz MGUOEXTXEHISII-TXEJJXNPSA-N 1 0 249.285 2.227 20 10 BECDRO Oc1ccccc1C[NH+]1CC2(CC(F)C2)C1 ZINC000839139733 585094618 /nfs/dbraw/zinc/09/46/18/585094618.db2.gz KLLQUTVSAPCHDF-UHFFFAOYSA-N 1 0 221.275 2.326 20 10 BECDRO CC[C@@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000742370039 585124946 /nfs/dbraw/zinc/12/49/46/585124946.db2.gz OCWZKUHLPPCUTG-CQSZACIVSA-N 1 0 237.343 2.260 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCN2CC[C@H](C)C2)c1 ZINC000744449782 585150414 /nfs/dbraw/zinc/15/04/14/585150414.db2.gz OKEHYLMFGKAFBR-ZDUSSCGKSA-N 1 0 248.370 2.132 20 10 BECDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756342848 585317932 /nfs/dbraw/zinc/31/79/32/585317932.db2.gz MCPYSGLIHWTREP-RYUDHWBXSA-N 1 0 237.343 2.431 20 10 BECDRO C[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756657254 585322211 /nfs/dbraw/zinc/32/22/11/585322211.db2.gz BWEMGJSXVXUYCO-KHQFGBGNSA-N 1 0 239.290 2.050 20 10 BECDRO C[C@@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756780824 585323018 /nfs/dbraw/zinc/32/30/18/585323018.db2.gz VQRTZBFJSCXPPW-MRTMQBJTSA-N 1 0 239.290 2.050 20 10 BECDRO COc1cc(C[NH+]2CCCC2)c(O)cc1C ZINC000768438035 585538493 /nfs/dbraw/zinc/53/84/93/585538493.db2.gz ORFSYBCAGYZTOB-UHFFFAOYSA-N 1 0 221.300 2.305 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000768518417 585539629 /nfs/dbraw/zinc/53/96/29/585539629.db2.gz FHYXHEGYJKYZLH-STQMWFEESA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000768518416 585539661 /nfs/dbraw/zinc/53/96/61/585539661.db2.gz FHYXHEGYJKYZLH-QWHCGFSZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cc(O)c(CN2CC[NH2+]C(C)(C)C2)cc1C ZINC000769191830 585550899 /nfs/dbraw/zinc/55/08/99/585550899.db2.gz PBWFHUZJIDNZOD-UHFFFAOYSA-N 1 0 248.370 2.193 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000769448366 585556916 /nfs/dbraw/zinc/55/69/16/585556916.db2.gz MGPGVCQOYNFPHZ-PHIMTYICSA-N 1 0 235.327 2.489 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCN(C)C1 ZINC000770511075 585575174 /nfs/dbraw/zinc/57/51/74/585575174.db2.gz YSSXHCJUQCQGNF-AWEZNQCLSA-N 1 0 248.370 2.308 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCOC1 ZINC000771853189 585602520 /nfs/dbraw/zinc/60/25/20/585602520.db2.gz LPWNEWWWCHDFLU-CYBMUJFWSA-N 1 0 248.370 2.187 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1 ZINC000773757108 585642850 /nfs/dbraw/zinc/64/28/50/585642850.db2.gz YPGVXGFTJZYVTJ-HNNXBMFYSA-N 1 0 248.370 2.099 20 10 BECDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccccc1O ZINC000775130778 585672536 /nfs/dbraw/zinc/67/25/36/585672536.db2.gz OGFBJROGSGCRHT-QWHCGFSZSA-N 1 0 248.370 2.385 20 10 BECDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccccc2O)C1 ZINC000775656464 585682342 /nfs/dbraw/zinc/68/23/42/585682342.db2.gz VBMVOUGAAMUFFU-AWEZNQCLSA-N 1 0 248.370 2.307 20 10 BECDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccccc2O)C1 ZINC000775656465 585682369 /nfs/dbraw/zinc/68/23/69/585682369.db2.gz VBMVOUGAAMUFFU-CQSZACIVSA-N 1 0 248.370 2.307 20 10 BECDRO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c1O ZINC000775985816 585688861 /nfs/dbraw/zinc/68/88/61/585688861.db2.gz OLOBGHLCSWHDES-QWHCGFSZSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000775985169 585688952 /nfs/dbraw/zinc/68/89/52/585688952.db2.gz KJLNUJKFEFWKSP-CHWSQXEVSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)c1O ZINC000775987364 585689023 /nfs/dbraw/zinc/68/90/23/585689023.db2.gz VLONYJHUMXWEMV-STQMWFEESA-N 1 0 248.370 2.225 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@H](C)O)cc1C ZINC000782979057 585826641 /nfs/dbraw/zinc/82/66/41/585826641.db2.gz NIGLQCUOQQYPRG-RYUDHWBXSA-N 1 0 237.343 2.258 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCc2ncsc2C1 ZINC000783746058 585841923 /nfs/dbraw/zinc/84/19/23/585841923.db2.gz VIVYGZOFYHYAEJ-UHFFFAOYSA-N 1 0 246.335 2.407 20 10 BECDRO COCC1([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000785762891 585880014 /nfs/dbraw/zinc/88/00/14/585880014.db2.gz AERLOSABMWCRLD-UHFFFAOYSA-N 1 0 248.370 2.363 20 10 BECDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000785988378 585884661 /nfs/dbraw/zinc/88/46/61/585884661.db2.gz MPBMLPUDKQYWMZ-MBNYWOFBSA-N 1 0 249.354 2.374 20 10 BECDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000788268503 585920155 /nfs/dbraw/zinc/92/01/55/585920155.db2.gz DVSFCMQEYSFKQB-KWQFWETISA-N 1 0 241.718 2.001 20 10 BECDRO CO[C@H](C)C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000795749738 586091814 /nfs/dbraw/zinc/09/18/14/586091814.db2.gz IBSNQFFVOPWYRA-LLVKDONJSA-N 1 0 249.354 2.348 20 10 BECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC000796216727 586098999 /nfs/dbraw/zinc/09/89/99/586098999.db2.gz IXMFXEISAZIESS-GASCZTMLSA-N 1 0 248.370 2.362 20 10 BECDRO CC[N@H+](Cc1cc(Cl)ccc1O)[C@H](C)CO ZINC000814170592 586614269 /nfs/dbraw/zinc/61/42/69/586614269.db2.gz ZLFLAFDXPJGGFD-SECBINFHSA-N 1 0 243.734 2.248 20 10 BECDRO Cc1cc(C[N@H+](C)C2CC(O)C2)ccc1N(C)C ZINC000815092457 586665624 /nfs/dbraw/zinc/66/56/24/586665624.db2.gz HRQFBRXMIJFJEL-UHFFFAOYSA-N 1 0 248.370 2.016 20 10 BECDRO C[C@H]([NH2+]Cc1ccccc1O)c1cc[nH]c(=O)c1 ZINC000815148363 586670621 /nfs/dbraw/zinc/67/06/21/586670621.db2.gz UQBIOSGYUDLJMT-JTQLQIEISA-N 1 0 244.294 2.344 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)O)c(O)c1 ZINC000815578720 586688294 /nfs/dbraw/zinc/68/82/94/586688294.db2.gz USFISWLZGQTJCX-NSHDSACASA-N 1 0 237.343 2.431 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC2)c(O)c1 ZINC000815598304 586688645 /nfs/dbraw/zinc/68/86/45/586688645.db2.gz RCFMWJLHKLAGMB-CYBMUJFWSA-N 1 0 248.370 2.365 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCOC2)c(O)c1 ZINC000815597838 586688909 /nfs/dbraw/zinc/68/89/09/586688909.db2.gz HIDXXVKALOVINL-VXGBXAGGSA-N 1 0 235.327 2.449 20 10 BECDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CC1 ZINC000817938173 586844229 /nfs/dbraw/zinc/84/42/29/586844229.db2.gz GCRGTKLUXGAXLW-NHYWBVRUSA-N 1 0 247.386 2.141 20 10 BECDRO CC[C@@H]([NH2+][C@H]1CCCNC1)c1ccccc1O ZINC000817940141 586845269 /nfs/dbraw/zinc/84/52/69/586845269.db2.gz FXQXHEDRUIEBHX-WCQYABFASA-N 1 0 234.343 2.185 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(C)cc1O ZINC000817941982 586845455 /nfs/dbraw/zinc/84/54/55/586845455.db2.gz VHJKYVLQGTUYHE-OCCSQVGLSA-N 1 0 248.370 2.493 20 10 BECDRO CC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(C)cc1O ZINC000817945036 586845797 /nfs/dbraw/zinc/84/57/97/586845797.db2.gz RVYUTJFDYLLQFH-DGCLKSJQSA-N 1 0 234.343 2.103 20 10 BECDRO CC[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(C)cc1O ZINC000817945038 586846237 /nfs/dbraw/zinc/84/62/37/586846237.db2.gz RVYUTJFDYLLQFH-YPMHNXCESA-N 1 0 234.343 2.103 20 10 BECDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817945276 586846251 /nfs/dbraw/zinc/84/62/51/586846251.db2.gz YTEKTCFRKRMPIL-PSASIEDQSA-N 1 0 240.734 2.058 20 10 BECDRO Cc1ccc([C@@H](C)NC[C@@H]2CCCC[NH2+]2)c(O)c1 ZINC000817949019 586847188 /nfs/dbraw/zinc/84/71/88/586847188.db2.gz GEMRZPWHLXRPQE-OLZOCXBDSA-N 1 0 248.370 2.493 20 10 BECDRO Cc1ccc(O)c([C@H](C)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000817948492 586847294 /nfs/dbraw/zinc/84/72/94/586847294.db2.gz AMGQTWSNKKBPOL-STQMWFEESA-N 1 0 248.370 2.493 20 10 BECDRO Cc1ccc([C@@H](C)NCC[NH2+]C2CC2)c(O)c1C ZINC000817952599 586847953 /nfs/dbraw/zinc/84/79/53/586847953.db2.gz GEXWWKSHKQDSML-GFCCVEGCSA-N 1 0 248.370 2.412 20 10 BECDRO Cc1ccc(O)c([C@@H](C)NC[C@H]2CCC[NH2+]2)c1 ZINC000817951251 586848019 /nfs/dbraw/zinc/84/80/19/586848019.db2.gz CGJGDPNVROGIQW-VXGBXAGGSA-N 1 0 234.343 2.103 20 10 BECDRO Cc1ccc([C@H](C)NC[C@H]2CCC[NH2+]2)c(O)c1C ZINC000817952786 586849124 /nfs/dbraw/zinc/84/91/24/586849124.db2.gz SDLCHQQASVQIDQ-QWHCGFSZSA-N 1 0 248.370 2.412 20 10 BECDRO CC[NH2+]CCN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000817953253 586849219 /nfs/dbraw/zinc/84/92/19/586849219.db2.gz YATRDBDTXDLESL-ZDUSSCGKSA-N 1 0 249.402 2.403 20 10 BECDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCOC1 ZINC000817955881 586849618 /nfs/dbraw/zinc/84/96/18/586849618.db2.gz KCWNNAONAVAQKQ-UKRRQHHQSA-N 1 0 248.370 2.216 20 10 BECDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)C1CCOCC1 ZINC000817955792 586850132 /nfs/dbraw/zinc/85/01/32/586850132.db2.gz HVZADJLZCSRYNL-GFCCVEGCSA-N 1 0 248.370 2.216 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000817960628 586851276 /nfs/dbraw/zinc/85/12/76/586851276.db2.gz PAHKFXRJUZCPFB-JTQLQIEISA-N 1 0 222.332 2.089 20 10 BECDRO CCC[NH2+]CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817962756 586852684 /nfs/dbraw/zinc/85/26/84/586852684.db2.gz OJXANCKTJZMVIB-ZDUSSCGKSA-N 1 0 249.402 2.403 20 10 BECDRO CCC[NH2+]CCN[C@H](C)c1ccc(C)cc1O ZINC000817961840 586853354 /nfs/dbraw/zinc/85/33/54/586853354.db2.gz DKBJWANSZLLWHW-GFCCVEGCSA-N 1 0 236.359 2.351 20 10 BECDRO C[C@H](CN)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817966597 586854712 /nfs/dbraw/zinc/85/47/12/586854712.db2.gz QYBINSFIGSBWSN-MNOVXSKESA-N 1 0 248.370 2.269 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccccc1O ZINC000817968786 586855903 /nfs/dbraw/zinc/85/59/03/586855903.db2.gz MQYOMPQVVGRZBO-FPMFFAJLSA-N 1 0 248.370 2.431 20 10 BECDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccccc1O ZINC000817972916 586859069 /nfs/dbraw/zinc/85/90/69/586859069.db2.gz PPNOEVRHRLVQNU-MNOVXSKESA-N 1 0 222.332 2.041 20 10 BECDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(C)cc1O ZINC000817972121 586859685 /nfs/dbraw/zinc/85/96/85/586859685.db2.gz JZURNNBSTONPEH-NEPJUHHUSA-N 1 0 236.359 2.349 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650673 587280768 /nfs/dbraw/zinc/28/07/68/587280768.db2.gz OTMOGWSEPCECRC-LBPRGKRZSA-N 1 0 233.311 2.385 20 10 BECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]1C1CC1)OCO2 ZINC000824649625 587281025 /nfs/dbraw/zinc/28/10/25/587281025.db2.gz DKVCPUYILOTGND-NSHDSACASA-N 1 0 247.294 2.105 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1C ZINC000825183900 587308328 /nfs/dbraw/zinc/30/83/28/587308328.db2.gz SDJOJNCUUNRUEV-TZMCWYRMSA-N 1 0 249.354 2.260 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC[C@H](C)O)cc1Cl ZINC000825699094 587333157 /nfs/dbraw/zinc/33/31/57/587333157.db2.gz RZQVBHAXVDENKM-VIFPVBQESA-N 1 0 243.734 2.215 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1O ZINC000827282440 587375134 /nfs/dbraw/zinc/37/51/34/587375134.db2.gz MJHFVTPGBCOGSZ-UKRRQHHQSA-N 1 0 247.338 2.169 20 10 BECDRO CCn1nccc1C[NH2+]Cc1cc(F)ccc1O ZINC000827955557 587412860 /nfs/dbraw/zinc/41/28/60/587412860.db2.gz JHMJFWJVFIWDNT-UHFFFAOYSA-N 1 0 249.289 2.038 20 10 BECDRO CC[C@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036762 587779381 /nfs/dbraw/zinc/77/93/81/587779381.db2.gz QXHGGFFGEQIVQQ-GEXIGZQTSA-N 1 0 248.370 2.126 20 10 BECDRO COC[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034291 587779414 /nfs/dbraw/zinc/77/94/14/587779414.db2.gz SMSVZFOYIDQQQC-URWSZGRFSA-N 1 0 248.370 2.390 20 10 BECDRO CC[C@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036774 587779464 /nfs/dbraw/zinc/77/94/64/587779464.db2.gz QXHGGFFGEQIVQQ-VBROQKIQSA-N 1 0 248.370 2.126 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000840908306 587928448 /nfs/dbraw/zinc/92/84/48/587928448.db2.gz RSUPIPNBYJVUKN-HNNXBMFYSA-N 1 0 248.370 2.018 20 10 BECDRO COCC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840910911 587929692 /nfs/dbraw/zinc/92/96/92/587929692.db2.gz XAQYLCBCZZBEQI-UHFFFAOYSA-N 1 0 236.359 2.139 20 10 BECDRO COc1ccc2c(c1)CCN2C[C@H]([NH3+])CC(C)C ZINC000841003344 587934648 /nfs/dbraw/zinc/93/46/48/587934648.db2.gz STZSWNGREYGGNZ-CYBMUJFWSA-N 1 0 248.370 2.431 20 10 BECDRO CN(C)c1ccc(/C=C/CNCC(C)(C)[NH3+])cc1 ZINC000841031746 587937238 /nfs/dbraw/zinc/93/72/38/587937238.db2.gz ZZLQHGQMQIVXTO-AATRIKPKSA-N 1 0 247.386 2.093 20 10 BECDRO CC[NH2+]CCNCc1cc(Cl)cc(C)c1O ZINC000841037667 587937775 /nfs/dbraw/zinc/93/77/75/587937775.db2.gz RQCSMBCBIWCPME-UHFFFAOYSA-N 1 0 242.750 2.053 20 10 BECDRO C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(N)cc1 ZINC000841039923 587938568 /nfs/dbraw/zinc/93/85/68/587938568.db2.gz DYCIXZGCCZCQGC-GWCFXTLKSA-N 1 0 219.332 2.211 20 10 BECDRO C[C@H]1C[C@@H](CNc2ccc(N)cc2)CC[NH2+]1 ZINC000841040625 587938623 /nfs/dbraw/zinc/93/86/23/587938623.db2.gz PYPKJZZVMDQKGS-QWRGUYRKSA-N 1 0 219.332 2.069 20 10 BECDRO NC[C@H]([NH2+]Cc1ccccc1O)C1CCCCC1 ZINC000841039288 587938712 /nfs/dbraw/zinc/93/87/12/587938712.db2.gz IWPIPEDTPLFWAB-AWEZNQCLSA-N 1 0 248.370 2.389 20 10 BECDRO C[C@@H](C[NH3+])NCc1ccc(N2CCCCC2)cc1 ZINC000841062766 587941508 /nfs/dbraw/zinc/94/15/08/587941508.db2.gz DTZIUAAGRJNMPQ-ZDUSSCGKSA-N 1 0 247.386 2.114 20 10 BECDRO C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841076593 587944272 /nfs/dbraw/zinc/94/42/72/587944272.db2.gz JORFGIJWBWDGDR-RQJHMYQMSA-N 1 0 246.713 2.010 20 10 BECDRO CCN(CC)c1ccc(CN[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000841078054 587945062 /nfs/dbraw/zinc/94/50/62/587945062.db2.gz FBQJWXAHSXVXPJ-CHWSQXEVSA-N 1 0 249.402 2.358 20 10 BECDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745115 587973880 /nfs/dbraw/zinc/97/38/80/587973880.db2.gz UQCDBNPNUUIQLY-PSASIEDQSA-N 1 0 243.734 2.467 20 10 BECDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000841845831 587977428 /nfs/dbraw/zinc/97/74/28/587977428.db2.gz FSXXZTNFRXUXPC-OCCSQVGLSA-N 1 0 247.342 2.115 20 10 BECDRO CC[C@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000842209512 588007507 /nfs/dbraw/zinc/00/75/07/588007507.db2.gz AINBQZKEHUJDOF-YVACAVLKSA-N 1 0 248.370 2.126 20 10 BECDRO CCn1nccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000845988952 588252564 /nfs/dbraw/zinc/25/25/64/588252564.db2.gz CMYJOBXSTVMHPV-NSHDSACASA-N 1 0 245.326 2.459 20 10 BECDRO C[C@H](CCO)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000846113105 588257281 /nfs/dbraw/zinc/25/72/81/588257281.db2.gz ZHSIRBGUWCOZPH-SECBINFHSA-N 1 0 243.734 2.248 20 10 BECDRO COCCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846137391 588258391 /nfs/dbraw/zinc/25/83/91/588258391.db2.gz OWPOZWNQZRLDJB-JTQLQIEISA-N 1 0 239.315 2.088 20 10 BECDRO COC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846137895 588258569 /nfs/dbraw/zinc/25/85/69/588258569.db2.gz NRMMQKHOLVPCTD-VHSXEESVSA-N 1 0 239.315 2.086 20 10 BECDRO CCc1cccc(C[NH+]2CCC(CO)CC2)c1O ZINC000848881638 588415976 /nfs/dbraw/zinc/41/59/76/588415976.db2.gz RQGYIMCKSPVJJA-UHFFFAOYSA-N 1 0 249.354 2.159 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](CO)CC2CC2)c1O ZINC000848899284 588417432 /nfs/dbraw/zinc/41/74/32/588417432.db2.gz MKTGOMIPAGZWHI-CQSZACIVSA-N 1 0 249.354 2.205 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](CCO)C2CC2)c1O ZINC000848896471 588418152 /nfs/dbraw/zinc/41/81/52/588418152.db2.gz BKQYRHDWDOLCQV-AWEZNQCLSA-N 1 0 249.354 2.205 20 10 BECDRO CCc1cccc(CN2CC(F)C2)c1O ZINC000848903215 588418656 /nfs/dbraw/zinc/41/86/56/588418656.db2.gz ZCJLHVORLFLGFJ-UHFFFAOYSA-N 1 0 209.264 2.108 20 10 BECDRO CCc1cccc(C[NH+]2CC3(C2)CCOC3)c1O ZINC000848914316 588420142 /nfs/dbraw/zinc/42/01/42/588420142.db2.gz LEDSTSQXTYBMDJ-UHFFFAOYSA-N 1 0 247.338 2.177 20 10 BECDRO CCc1cccc(CNC(CF)CF)c1O ZINC000848917019 588421064 /nfs/dbraw/zinc/42/10/64/588421064.db2.gz ZPJLDYZTDOPCLP-UHFFFAOYSA-N 1 0 229.270 2.352 20 10 BECDRO Cc1cccc(C[N@@H+](C[C@H](C)O)C2CC2)c1O ZINC000848929091 588421857 /nfs/dbraw/zinc/42/18/57/588421857.db2.gz SSAUGUZOBVMQQE-NSHDSACASA-N 1 0 235.327 2.046 20 10 BECDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000850360326 588540399 /nfs/dbraw/zinc/54/03/99/588540399.db2.gz HKRJNXAONAUWRO-JOCQHMNTSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000850389054 588542945 /nfs/dbraw/zinc/54/29/45/588542945.db2.gz SLJPMYMLKRDUSK-ZIAGYGMSSA-N 1 0 247.338 2.094 20 10 BECDRO C[C@H]([NH2+]C/C=C\CO)c1ccc(Cl)cc1O ZINC000850509787 588554533 /nfs/dbraw/zinc/55/45/33/588554533.db2.gz SNTFVHZAXCXZRC-XADBCAIWSA-N 1 0 241.718 2.245 20 10 BECDRO C[C@@H]([NH2+]C/C=C\CO)c1ccc(Cl)cc1O ZINC000850509786 588554619 /nfs/dbraw/zinc/55/46/19/588554619.db2.gz SNTFVHZAXCXZRC-PKRMOACSSA-N 1 0 241.718 2.245 20 10 BECDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000850528655 588557149 /nfs/dbraw/zinc/55/71/49/588557149.db2.gz JLKRMERUIRRIQD-VXGBXAGGSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1nnc([C@@H](C)N(C)Cc2ccccc2O)o1 ZINC000109772745 588592427 /nfs/dbraw/zinc/59/24/27/588592427.db2.gz KEYFUXXBGJLIKE-SECBINFHSA-N 1 0 247.298 2.277 20 10 BECDRO C[N@H+](CCOC(F)F)Cc1ccccc1O ZINC000851841148 588634139 /nfs/dbraw/zinc/63/41/39/588634139.db2.gz NIWZAEROOTXRHK-UHFFFAOYSA-N 1 0 231.242 2.063 20 10 BECDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(OC)c(C)c1 ZINC000863483309 589293445 /nfs/dbraw/zinc/29/34/45/589293445.db2.gz MLVKGMWTFQEHCT-UONOGXRCSA-N 1 0 248.370 2.234 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000863545948 589297678 /nfs/dbraw/zinc/29/76/78/589297678.db2.gz CCIPVKDKONKALQ-GMXVVIOVSA-N 1 0 234.343 2.102 20 10 BECDRO Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000863545949 589297940 /nfs/dbraw/zinc/29/79/40/589297940.db2.gz CCIPVKDKONKALQ-NTZNESFSSA-N 1 0 234.343 2.102 20 10 BECDRO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1O ZINC000863545550 589298036 /nfs/dbraw/zinc/29/80/36/589298036.db2.gz UZJWVTAPQAGZCU-UTUOFQBUSA-N 1 0 234.343 2.183 20 10 BECDRO C[C@@H]1CC[C@@H](N[C@H]2CCc3cccc(O)c32)C[NH2+]1 ZINC000863548027 589298417 /nfs/dbraw/zinc/29/84/17/589298417.db2.gz UEZQIWYCOUIPHR-RTXFEEFZSA-N 1 0 246.354 2.110 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccnn2C)c1 ZINC000865838679 589464312 /nfs/dbraw/zinc/46/43/12/589464312.db2.gz MKNGECWSVINELC-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c(O)c1C ZINC000866415654 589491939 /nfs/dbraw/zinc/49/19/39/589491939.db2.gz BBOYVTAVFCXREJ-RWMBFGLXSA-N 1 0 249.354 2.431 20 10 BECDRO C[C@@H]([NH2+]CC(C)(C)CO)c1cc(F)ccc1O ZINC000122035706 589550919 /nfs/dbraw/zinc/55/09/19/589550919.db2.gz VMTHINQOISVWAQ-SECBINFHSA-N 1 0 241.306 2.200 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CO)CC2)c1 ZINC000122307400 589577873 /nfs/dbraw/zinc/57/78/73/589577873.db2.gz LGQWTSMEDRHMPG-LLVKDONJSA-N 1 0 235.327 2.124 20 10 BECDRO Cc1cncc(C[NH2+]Cc2ccccc2O)c1 ZINC000123207954 589678345 /nfs/dbraw/zinc/67/83/45/589678345.db2.gz HNLOPLWVRFTHRG-UHFFFAOYSA-N 1 0 228.295 2.385 20 10 BECDRO CC(C)[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000123919810 589854353 /nfs/dbraw/zinc/85/43/53/589854353.db2.gz LYPLORRGCUVVAB-LBPRGKRZSA-N 1 0 243.734 2.152 20 10 BECDRO CCCOc1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1C ZINC000873140840 589986018 /nfs/dbraw/zinc/98/60/18/589986018.db2.gz VDZBGWLYNRRULZ-HDJSIYSDSA-N 1 0 249.354 2.397 20 10 BECDRO Cc1cccc(C[NH2+]CCc2cscn2)c1O ZINC000124842529 590093857 /nfs/dbraw/zinc/09/38/57/590093857.db2.gz VQNIEWDOHMNYJL-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO C[N@H+](CCC[C@@H]1CCO1)Cc1ccccc1O ZINC000876616149 590222441 /nfs/dbraw/zinc/22/24/41/590222441.db2.gz TUALWTMKQZEBGH-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCOC[C@H](C)C1 ZINC000876752505 590237897 /nfs/dbraw/zinc/23/78/97/590237897.db2.gz RWVHFYWLPZGVFY-LLVKDONJSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000876758484 590238771 /nfs/dbraw/zinc/23/87/71/590238771.db2.gz GSNXPUHGIJVIFD-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[N@H+](C)C[C@H]2CCOC2)c(O)c1 ZINC000876789004 590241045 /nfs/dbraw/zinc/24/10/45/590241045.db2.gz QOWALNGEUBSATC-GFCCVEGCSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(O)c1 ZINC000876804920 590244323 /nfs/dbraw/zinc/24/43/23/590244323.db2.gz WCOSTJJWKMPLJR-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCc1ccccn1 ZINC000876886569 590253833 /nfs/dbraw/zinc/25/38/33/590253833.db2.gz XUGQVNNKNFUEDC-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCc1cccnc1 ZINC000876922977 590257841 /nfs/dbraw/zinc/25/78/41/590257841.db2.gz NVULMKMLHRLXLK-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO CO[C@H](C)CC[NH2+]Cc1ccc(C)cc1O ZINC000876997101 590266954 /nfs/dbraw/zinc/26/69/54/590266954.db2.gz NFYDGKZBXKFTJA-LLVKDONJSA-N 1 0 223.316 2.215 20 10 BECDRO Oc1ccccc1C[NH2+]C1CC(n2cccn2)C1 ZINC000876995622 590266982 /nfs/dbraw/zinc/26/69/82/590266982.db2.gz IEICFQWWVBEBLX-UHFFFAOYSA-N 1 0 243.310 2.082 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)c(O)c1 ZINC000877020239 590269869 /nfs/dbraw/zinc/26/98/69/590269869.db2.gz MNEGFNGHNLIROG-ZDUSSCGKSA-N 1 0 246.354 2.027 20 10 BECDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(C)cc1O ZINC000877024544 590270290 /nfs/dbraw/zinc/27/02/90/590270290.db2.gz HELYFAVZZDRHOS-SMDDNHRTSA-N 1 0 237.343 2.197 20 10 BECDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(C)cc1O ZINC000877024542 590270340 /nfs/dbraw/zinc/27/03/40/590270340.db2.gz HELYFAVZZDRHOS-FZMZJTMJSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(C[NH2+]CCOCC2CC2)c(O)c1 ZINC000877026853 590270974 /nfs/dbraw/zinc/27/09/74/590270974.db2.gz GOQRBOLMBHJTEM-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc(C[NH2+]C[C@]2(C)CCOC2)c(O)c1 ZINC000877039303 590273032 /nfs/dbraw/zinc/27/30/32/590273032.db2.gz JBUJLBOXIRUVGN-AWEZNQCLSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000877056217 590275611 /nfs/dbraw/zinc/27/56/11/590275611.db2.gz QQYAHVYPWMGJOV-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000877056785 590275738 /nfs/dbraw/zinc/27/57/38/590275738.db2.gz WWEMMHYYZQUWCB-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000877070784 590277551 /nfs/dbraw/zinc/27/75/51/590277551.db2.gz VYCZCQIMVSKMCC-QWHCGFSZSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1ccc(C[NH2+]C2CCC(C)(O)CC2)c(O)c1 ZINC000877075192 590278292 /nfs/dbraw/zinc/27/82/92/590278292.db2.gz KJGHGXDLRYDDMB-UHFFFAOYSA-N 1 0 249.354 2.484 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c(O)c1 ZINC000877094829 590281931 /nfs/dbraw/zinc/28/19/31/590281931.db2.gz UGLIPNWAKUKLHH-XBXGTLAGSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+]C2(C)CCOCC2)c(O)c1 ZINC000877114219 590288011 /nfs/dbraw/zinc/28/80/11/590288011.db2.gz WCHSXZHXIBOSSJ-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO CCOCC[N@H+](C)Cc1ccc(C)cc1O ZINC000877172144 590296490 /nfs/dbraw/zinc/29/64/90/590296490.db2.gz LFWNCYZEVUDJNS-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO COC1(C[NH2+]Cc2ccc(C)cc2O)CCC1 ZINC000877182983 590298286 /nfs/dbraw/zinc/29/82/86/590298286.db2.gz VYWAJYZHOGIRLI-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[N@@H+]2CCOCC3(CC3)C2)c(O)c1 ZINC000877194546 590299485 /nfs/dbraw/zinc/29/94/85/590299485.db2.gz QHGBLUVEWMUNJR-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC[C@@H]1CCOC1 ZINC000877314230 590313308 /nfs/dbraw/zinc/31/33/08/590313308.db2.gz VQXANNCHFISJSA-GFCCVEGCSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c(O)c1 ZINC000877409688 590324042 /nfs/dbraw/zinc/32/40/42/590324042.db2.gz XZEXVQYYXKPBCQ-QWHCGFSZSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000877442400 590328601 /nfs/dbraw/zinc/32/86/01/590328601.db2.gz GZFYLHAAZPTXSQ-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877463206 590332130 /nfs/dbraw/zinc/33/21/30/590332130.db2.gz AETVFCWZJRWNBW-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO CCN1CC[N@H+](Cc2ccc(C)cc2O)[C@@H](C)C1 ZINC000877517019 590345497 /nfs/dbraw/zinc/34/54/97/590345497.db2.gz KTABGIIQIZGZQQ-ZDUSSCGKSA-N 1 0 248.370 2.227 20 10 BECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(C)cccc2O)C1 ZINC000877515393 590345576 /nfs/dbraw/zinc/34/55/76/590345576.db2.gz CSOWDVYNLYSKIM-TXEJJXNPSA-N 1 0 235.327 2.310 20 10 BECDRO CC[N@H+](Cc1c(C)cccc1O)[C@@H]1CCOC1 ZINC000877543502 590351583 /nfs/dbraw/zinc/35/15/83/590351583.db2.gz CLFRYOCGJUVLGG-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO CO[C@@H](C[NH2+]Cc1ccc(C)cc1O)C1CC1 ZINC000877552534 590355284 /nfs/dbraw/zinc/35/52/84/590355284.db2.gz PTDNBFJFOQPEBY-AWEZNQCLSA-N 1 0 235.327 2.215 20 10 BECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877561388 590359998 /nfs/dbraw/zinc/35/99/98/590359998.db2.gz LWMYCIMVRNTZAJ-KBPBESRZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1nocc1C[NH2+]Cc1ccc(C)cc1O ZINC000877563819 590360600 /nfs/dbraw/zinc/36/06/00/590360600.db2.gz RXWYNASTDYYBRS-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000877576484 590363685 /nfs/dbraw/zinc/36/36/85/590363685.db2.gz LLDHTGDOBALOMA-CYBMUJFWSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c(O)c1 ZINC000877593251 590368647 /nfs/dbraw/zinc/36/86/47/590368647.db2.gz QVXDAGJOGRIRDG-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+]CCCC2(O)CCC2)c(O)c1 ZINC000877595483 590370145 /nfs/dbraw/zinc/37/01/45/590370145.db2.gz BTECMIGDDIJMQH-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000877637465 590381535 /nfs/dbraw/zinc/38/15/35/590381535.db2.gz ILDOCCFIJZSDMB-QWHCGFSZSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC000877638023 590381684 /nfs/dbraw/zinc/38/16/84/590381684.db2.gz RKVOYVSJWOQJDO-KGLIPLIRSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c(O)c1 ZINC000877640703 590381986 /nfs/dbraw/zinc/38/19/86/590381986.db2.gz QVOFAJNOBQLUCT-DOMZBBRYSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000877637466 590382035 /nfs/dbraw/zinc/38/20/35/590382035.db2.gz ILDOCCFIJZSDMB-STQMWFEESA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c(O)c1 ZINC000877646505 590384265 /nfs/dbraw/zinc/38/42/65/590384265.db2.gz JFYSBXTVUDKAKH-JSGCOSHPSA-N 1 0 249.354 2.151 20 10 BECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877654814 590385310 /nfs/dbraw/zinc/38/53/10/590385310.db2.gz WCHUKAVZYIFRDC-KGLIPLIRSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cc(O)c(C[NH2+]C2(C)COC2)cc1Cl ZINC000877691511 590393394 /nfs/dbraw/zinc/39/33/94/590393394.db2.gz PFRDOQKGFUYVMT-UHFFFAOYSA-N 1 0 241.718 2.233 20 10 BECDRO COc1ccc(O)c(C[NH+]2CC(C)(C)C2)c1 ZINC000877717348 590399270 /nfs/dbraw/zinc/39/92/70/590399270.db2.gz IZSYYUVKXRYLPU-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO COc1cccc(O)c1C[NH+]1CC(C)(C)C1 ZINC000877717770 590399776 /nfs/dbraw/zinc/39/97/76/590399776.db2.gz QEFODHCOAQOOFM-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO C[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1O ZINC000877758022 590417509 /nfs/dbraw/zinc/41/75/09/590417509.db2.gz DKSBWWKKRHBTNM-GARJFASQSA-N 1 0 221.300 2.220 20 10 BECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1c(C)cccc1O ZINC000877779156 590423233 /nfs/dbraw/zinc/42/32/33/590423233.db2.gz ZRJCDRFCURYDAF-RYUDHWBXSA-N 1 0 237.343 2.340 20 10 BECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(C)cc1O ZINC000877779325 590423446 /nfs/dbraw/zinc/42/34/46/590423446.db2.gz WADHNNMYHJZJNZ-AAEUAGOBSA-N 1 0 237.343 2.340 20 10 BECDRO C[C@H]1OCC[C@H]1C[N@H+](C)Cc1ccccc1O ZINC000878241894 590528067 /nfs/dbraw/zinc/52/80/67/590528067.db2.gz JPZOQRFSRDSPEO-NEPJUHHUSA-N 1 0 235.327 2.249 20 10 BECDRO CC[C@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000127394656 590636909 /nfs/dbraw/zinc/63/69/09/590636909.db2.gz QZJHQZHEHKNLQN-AWEZNQCLSA-N 1 0 236.359 2.003 20 10 BECDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)on1 ZINC000879648805 590842120 /nfs/dbraw/zinc/84/21/20/590842120.db2.gz ACUYNDSJCHXIDM-SECBINFHSA-N 1 0 248.282 2.240 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccccc1O ZINC000879650279 590843870 /nfs/dbraw/zinc/84/38/70/590843870.db2.gz STVLIJJLGWFINX-WOPDTQHZSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@@H](CN(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000130249958 591451130 /nfs/dbraw/zinc/45/11/30/591451130.db2.gz AILUFJRJANSPOS-VIFPVBQESA-N 1 0 242.750 2.085 20 10 BECDRO C[C@H]([NH2+]Cc1ccn(C)n1)c1cc(F)ccc1O ZINC000213179597 591454842 /nfs/dbraw/zinc/45/48/42/591454842.db2.gz YISQVZQTWCASMZ-VIFPVBQESA-N 1 0 249.289 2.116 20 10 BECDRO CC[C@@H](O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000131707466 591643882 /nfs/dbraw/zinc/64/38/82/591643882.db2.gz OQDIACVAZMIUGS-LLVKDONJSA-N 1 0 243.734 2.296 20 10 BECDRO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)ccc1O ZINC000132331924 591702210 /nfs/dbraw/zinc/70/22/10/591702210.db2.gz MOAGNLCHLWNKGE-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO CC[C@H](C)[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000133814985 591860953 /nfs/dbraw/zinc/86/09/53/591860953.db2.gz LNOXWKCPXCQAPB-ZDUSSCGKSA-N 1 0 248.370 2.308 20 10 BECDRO Cc1ccc(O)c(CN(C)CC[NH+]2CCCC2)c1 ZINC000133905958 591867937 /nfs/dbraw/zinc/86/79/37/591867937.db2.gz LBHXOYMEZVBMHJ-UHFFFAOYSA-N 1 0 248.370 2.228 20 10 BECDRO CC[C@H](CCO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000134987449 591968165 /nfs/dbraw/zinc/96/81/65/591968165.db2.gz BPNXVNFBSHAYSX-CYBMUJFWSA-N 1 0 237.343 2.254 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)c1ccccc1O ZINC000886310280 592205001 /nfs/dbraw/zinc/20/50/01/592205001.db2.gz IKPMUSSJLXFZMN-SLEUVZQESA-N 1 0 247.338 2.469 20 10 BECDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000223660207 592537282 /nfs/dbraw/zinc/53/72/82/592537282.db2.gz OKWOUWRPLFZERB-VXGBXAGGSA-N 1 0 237.343 2.450 20 10 BECDRO C[NH+](C)CCCNCc1ccc2c(c1)CCCO2 ZINC000124215164 634401748 /nfs/dbraw/zinc/40/17/48/634401748.db2.gz TTXHWAGROATGGF-UHFFFAOYSA-N 1 0 248.370 2.053 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2COCC2(C)C)c1O ZINC000313024465 634438302 /nfs/dbraw/zinc/43/83/02/634438302.db2.gz PRDOXFWLIFHUPT-GFCCVEGCSA-N 1 0 235.327 2.215 20 10 BECDRO CC1(C)COC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000313022149 634439285 /nfs/dbraw/zinc/43/92/85/634439285.db2.gz BBFKOVFXUMRUIF-WCQYABFASA-N 1 0 247.338 2.394 20 10 BECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)(C)O ZINC000083662424 631428909 /nfs/dbraw/zinc/42/89/09/631428909.db2.gz USBPHHOIYBFGLD-NSHDSACASA-N 1 0 236.359 2.002 20 10 BECDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000086683686 631472275 /nfs/dbraw/zinc/47/22/75/631472275.db2.gz TWKXOCUTKREFQK-CQSZACIVSA-N 1 0 249.354 2.382 20 10 BECDRO C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000096942638 631657345 /nfs/dbraw/zinc/65/73/45/631657345.db2.gz VQVDRPCXQLOKPX-SNVBAGLBSA-N 1 0 249.310 2.495 20 10 BECDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000934114642 631690743 /nfs/dbraw/zinc/69/07/43/631690743.db2.gz UZCHRRDPHWLWFD-GJZGRUSLSA-N 1 0 248.370 2.362 20 10 BECDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000829418837 632111904 /nfs/dbraw/zinc/11/19/04/632111904.db2.gz GEJKAVMLADGQCG-ZFWWWQNUSA-N 1 0 248.370 2.267 20 10 BECDRO COc1cc(C)cc(C[N@H+](C)C2CC2)c1O ZINC000178853779 632112780 /nfs/dbraw/zinc/11/27/80/632112780.db2.gz RLJMXPPLEHXOFB-UHFFFAOYSA-N 1 0 221.300 2.303 20 10 BECDRO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccccc1O ZINC000309511042 632433697 /nfs/dbraw/zinc/43/36/97/632433697.db2.gz XHOVETKKLXUUAS-NXEZZACHSA-N 1 0 223.316 2.202 20 10 BECDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000158220428 632463404 /nfs/dbraw/zinc/46/34/04/632463404.db2.gz CZYJPRIKNSJMRC-OLZOCXBDSA-N 1 0 235.327 2.439 20 10 BECDRO CC[C@@H]([NH2+]CCO)c1cc(Cl)ccc1O ZINC000309191329 632745009 /nfs/dbraw/zinc/74/50/09/632745009.db2.gz PSGHWWDTZSTGSJ-SNVBAGLBSA-N 1 0 229.707 2.079 20 10 BECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CO)c1O ZINC000309367915 632982193 /nfs/dbraw/zinc/98/21/93/632982193.db2.gz BMSMKTYYNNMPJZ-IUCAKERBSA-N 1 0 243.734 2.385 20 10 BECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CO)c1O ZINC000309367913 632982674 /nfs/dbraw/zinc/98/26/74/632982674.db2.gz BMSMKTYYNNMPJZ-BDAKNGLRSA-N 1 0 243.734 2.385 20 10 BECDRO CCC[C@@](C)(CO)[NH2+]Cc1ccccc1O ZINC000164163021 633072898 /nfs/dbraw/zinc/07/28/98/633072898.db2.gz LWIPXWUTXATGLQ-ZDUSSCGKSA-N 1 0 223.316 2.033 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CC[C@H](O)CC1)CC2 ZINC000311149371 633075605 /nfs/dbraw/zinc/07/56/05/633075605.db2.gz IIBDCDKKMHPWME-JHJVBQTASA-N 1 0 247.338 2.273 20 10 BECDRO C[C@H](CO)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311177206 633080908 /nfs/dbraw/zinc/08/09/08/633080908.db2.gz VHYWGIZAQKGLTQ-WCQYABFASA-N 1 0 249.354 2.378 20 10 BECDRO C[C@H]([NH2+]CC1(O)CCC1)c1cc(F)ccc1O ZINC000168763546 633147498 /nfs/dbraw/zinc/14/74/98/633147498.db2.gz SHYDASOZHQNVMU-VIFPVBQESA-N 1 0 239.290 2.097 20 10 BECDRO Oc1ccc(F)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000309505934 633184441 /nfs/dbraw/zinc/18/44/41/633184441.db2.gz NCYGIQSSJGVHND-PJXYFTJBSA-N 1 0 221.275 2.419 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CO)CC2)c1O ZINC000294081431 633751742 /nfs/dbraw/zinc/75/17/42/633751742.db2.gz QZJLYEXRHCOHAD-CYBMUJFWSA-N 1 0 249.354 2.295 20 10 BECDRO CC[C@H]([NH2+]C[C@@H](C)OC)c1ccccc1O ZINC000182435708 633945310 /nfs/dbraw/zinc/94/53/10/633945310.db2.gz ZPGWMGKMBPIYHN-PWSUYJOCSA-N 1 0 223.316 2.468 20 10 BECDRO CC[C@H]([NH2+]C[C@H](C)O)c1cc(Cl)ccc1O ZINC000309994475 634053025 /nfs/dbraw/zinc/05/30/25/634053025.db2.gz BTOPVBUPFFCCTG-KWQFWETISA-N 1 0 243.734 2.467 20 10 BECDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000310138628 635197242 /nfs/dbraw/zinc/19/72/42/635197242.db2.gz BSYBGKYZNRBBLJ-SCZZXKLOSA-N 1 0 235.283 2.009 20 10 BECDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000310138627 635197433 /nfs/dbraw/zinc/19/74/33/635197433.db2.gz BSYBGKYZNRBBLJ-PSASIEDQSA-N 1 0 235.283 2.009 20 10 BECDRO COCC1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000895970089 636185589 /nfs/dbraw/zinc/18/55/89/636185589.db2.gz BZVHPYWGFSLOCH-UHFFFAOYSA-N 1 0 241.718 2.124 20 10 BECDRO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1O ZINC000863545551 636719816 /nfs/dbraw/zinc/71/98/16/636719816.db2.gz UZJWVTAPQAGZCU-WOPDTQHZSA-N 1 0 234.343 2.183 20 10 BECDRO CC[C@](C)(C[NH2+]Cc1ccccc1O)OC ZINC000322931551 636885262 /nfs/dbraw/zinc/88/52/62/636885262.db2.gz NMKWSEYKFPSXSI-CYBMUJFWSA-N 1 0 223.316 2.297 20 10 BECDRO COc1cccc(O)c1C[NH2+]C/C=C\Cl ZINC000898436898 637043045 /nfs/dbraw/zinc/04/30/45/637043045.db2.gz WNAHKKLLMBFDCT-UTCJRWHESA-N 1 0 227.691 2.243 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CS1 ZINC000162936146 637229735 /nfs/dbraw/zinc/22/97/35/637229735.db2.gz LLOUFZOOHSVLJM-MWLCHTKSSA-N 1 0 223.341 2.376 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CCn2cccn2)c(O)c1 ZINC000042539110 637277848 /nfs/dbraw/zinc/27/78/48/637277848.db2.gz RFBJBYKQUGVVFS-GFCCVEGCSA-N 1 0 245.326 2.248 20 10 BECDRO Cc1cc(O)c(CN[C@H]2C[NH2+]CC2(C)C)cc1C ZINC000904463592 637407303 /nfs/dbraw/zinc/40/73/03/637407303.db2.gz QPASEEJEGIHKCA-AWEZNQCLSA-N 1 0 248.370 2.097 20 10 BECDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000911659852 639692927 /nfs/dbraw/zinc/69/29/27/639692927.db2.gz FUOWLYWRGZXKIC-ZDUSSCGKSA-N 1 0 247.342 2.080 20 10 BECDRO Cc1ccc(N(C)C(=O)C2=CCC[NH2+]CC2)cc1 ZINC000912243414 640011529 /nfs/dbraw/zinc/01/15/29/640011529.db2.gz FNAFAXCYDQZXSO-UHFFFAOYSA-N 1 0 244.338 2.268 20 10 BECDRO CCOC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000044691812 640449223 /nfs/dbraw/zinc/44/92/23/640449223.db2.gz SFGYZPQFJUKETL-NSHDSACASA-N 1 0 235.327 2.136 20 10 BECDRO COc1cccc(C[NH2+]CC2(C)CC2)c1O ZINC000224183046 640600842 /nfs/dbraw/zinc/60/08/42/640600842.db2.gz FMGQIGCSYDELBH-UHFFFAOYSA-N 1 0 221.300 2.291 20 10 BECDRO C[C@@H]([NH2+]CC1(CO)CC1)c1ccc(N(C)C)cc1 ZINC000157323262 640667616 /nfs/dbraw/zinc/66/76/16/640667616.db2.gz JVNPOIPXGNDMGN-GFCCVEGCSA-N 1 0 248.370 2.176 20 10 BECDRO Cc1cccc(C[NH2+][C@@]2(C)CCCOC2)c1O ZINC000225931990 640717554 /nfs/dbraw/zinc/71/75/54/640717554.db2.gz QDDLUFDCOALBFO-AWEZNQCLSA-N 1 0 235.327 2.359 20 10 BECDRO CC1(C)C[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000226256556 640744051 /nfs/dbraw/zinc/74/40/51/640744051.db2.gz KOTPSEAUIWECEV-JTQLQIEISA-N 1 0 249.310 2.257 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CCCO1 ZINC000226584332 640778903 /nfs/dbraw/zinc/77/89/03/640778903.db2.gz NZVLHSKCHJGHPH-GFCCVEGCSA-N 1 0 239.290 2.190 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C1CC=CC1 ZINC000226615809 640779982 /nfs/dbraw/zinc/77/99/82/640779982.db2.gz PXRPQRLBYPEMCJ-UHFFFAOYSA-N 1 0 207.248 2.340 20 10 BECDRO C[C@@]1([NH2+]Cc2cc(F)ccc2O)CCCOC1 ZINC000226626073 640783872 /nfs/dbraw/zinc/78/38/72/640783872.db2.gz KPAFYPCAEPKEBO-CYBMUJFWSA-N 1 0 239.290 2.190 20 10 BECDRO CC(C)n1cncc1C[NH2+]Cc1ccccc1O ZINC000228408967 640873596 /nfs/dbraw/zinc/87/35/96/640873596.db2.gz DYRZQJJAMANGPC-UHFFFAOYSA-N 1 0 245.326 2.459 20 10 BECDRO c1cc(C[NH2+]CC[C@H]2CCOC2)cc2c1OCC2 ZINC000230162325 641033171 /nfs/dbraw/zinc/03/31/71/641033171.db2.gz KGUDSMSNKSTFHT-LBPRGKRZSA-N 1 0 247.338 2.138 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC000211483962 641506542 /nfs/dbraw/zinc/50/65/42/641506542.db2.gz DFRSVSXBWGSMQJ-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO CC1(C)COC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000313022140 641526642 /nfs/dbraw/zinc/52/66/42/641526642.db2.gz BBFKOVFXUMRUIF-AAEUAGOBSA-N 1 0 247.338 2.394 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2COC[C@H]2C2CC2)c1 ZINC000914433200 641702251 /nfs/dbraw/zinc/70/22/51/641702251.db2.gz LPRNGIKESHPBJN-KBPBESRZSA-N 1 0 247.338 2.215 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000246354563 642378220 /nfs/dbraw/zinc/37/82/20/642378220.db2.gz HZVYBBZCSPBYPK-NILFDRSVSA-N 1 0 248.370 2.317 20 10 BECDRO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccccc1O ZINC000179575416 642725755 /nfs/dbraw/zinc/72/57/55/642725755.db2.gz GFRAFCAIAAKLRZ-MNOVXSKESA-N 1 0 221.300 2.001 20 10 BECDRO Cc1cccc(C[NH+]2CCSCC2)c1O ZINC000179666009 642737885 /nfs/dbraw/zinc/73/78/85/642737885.db2.gz KZJPHLAXUKABNZ-UHFFFAOYSA-N 1 0 223.341 2.249 20 10 BECDRO C[C@]1(O)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000180190262 642777269 /nfs/dbraw/zinc/77/72/69/642777269.db2.gz LHNIXFYWJOWYMD-LBPRGKRZSA-N 1 0 241.718 2.002 20 10 BECDRO Cc1cccc(C[N@H+](CCCCO)C2CC2)c1O ZINC000180233289 642780977 /nfs/dbraw/zinc/78/09/77/642780977.db2.gz JDQCABAENXVECP-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO COc1ccc(N2CC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000071197464 643109550 /nfs/dbraw/zinc/10/95/50/643109550.db2.gz HIAIXPLWOPVZDJ-LBPRGKRZSA-N 1 0 234.343 2.272 20 10 BECDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1O ZINC000183514738 643139166 /nfs/dbraw/zinc/13/91/66/643139166.db2.gz RRSFRYFUHNULQP-SVBLFDIKSA-N 1 0 233.311 2.363 20 10 BECDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccccc1O ZINC000044684218 643548779 /nfs/dbraw/zinc/54/87/79/643548779.db2.gz AJBIFKYLMBZFOV-RYUDHWBXSA-N 1 0 246.354 2.280 20 10 BECDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1O ZINC000816647591 643553543 /nfs/dbraw/zinc/55/35/43/643553543.db2.gz VIQPEGIBVJQPLD-NXEZZACHSA-N 1 0 221.300 2.241 20 10 BECDRO C[C@H](CCO)C[NH2+]Cc1cc(Cl)ccc1O ZINC000085126963 643685790 /nfs/dbraw/zinc/68/57/90/643685790.db2.gz KRBQSLUTBACGLL-SECBINFHSA-N 1 0 243.734 2.154 20 10 BECDRO c1cc2c(cc1C[NH2+][C@H]1CCCOC1)CCCO2 ZINC000921704310 643757252 /nfs/dbraw/zinc/75/72/52/643757252.db2.gz CQFCMQXFMYOODH-AWEZNQCLSA-N 1 0 247.338 2.280 20 10 BECDRO C[C@@H](CCCO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921832355 643805091 /nfs/dbraw/zinc/80/50/91/643805091.db2.gz KUWBULHXIAIEBL-LBPRGKRZSA-N 1 0 249.354 2.262 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](C)O ZINC000922160826 643881199 /nfs/dbraw/zinc/88/11/99/643881199.db2.gz XQVUYGZAVCYHJA-SMDDNHRTSA-N 1 0 249.354 2.261 20 10 BECDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922637806 644044655 /nfs/dbraw/zinc/04/46/55/644044655.db2.gz BULFEHFURLLUNC-BXUZGUMPSA-N 1 0 247.338 2.136 20 10 BECDRO CCC[C@H](O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922823992 644100876 /nfs/dbraw/zinc/10/08/76/644100876.db2.gz FAPWUMHMWYYCMU-AWEZNQCLSA-N 1 0 249.354 2.262 20 10 BECDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000192992449 644203281 /nfs/dbraw/zinc/20/32/81/644203281.db2.gz YJINTFOYJCFLGE-UHFFFAOYSA-N 1 0 235.283 2.105 20 10 BECDRO COc1ccc(N(C)C[C@@H](C)[NH3+])cc1Cl ZINC000084506906 644426490 /nfs/dbraw/zinc/42/64/90/644426490.db2.gz OBGBAIATRABDDD-MRVPVSSYSA-N 1 0 228.723 2.132 20 10 BECDRO C[C@@H](CCCO)[NH2+]Cc1cc(Cl)ccc1O ZINC000087358626 644491122 /nfs/dbraw/zinc/49/11/22/644491122.db2.gz DWSKGMPETRFPOL-VIFPVBQESA-N 1 0 243.734 2.296 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)c(O)c1 ZINC000087783672 644503066 /nfs/dbraw/zinc/50/30/66/644503066.db2.gz NBJRXGYVCXZMRS-GHMZBOCLSA-N 1 0 221.300 2.140 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC2)c1 ZINC000087784455 644503766 /nfs/dbraw/zinc/50/37/66/644503766.db2.gz XPPQZHLATQOMFV-WDEREUQCSA-N 1 0 221.300 2.140 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC2)c(O)c1 ZINC000087783679 644503814 /nfs/dbraw/zinc/50/38/14/644503814.db2.gz NBJRXGYVCXZMRS-QWRGUYRKSA-N 1 0 221.300 2.140 20 10 BECDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCO1 ZINC000094798291 644728344 /nfs/dbraw/zinc/72/83/44/644728344.db2.gz QIFDPPOKBLRHCB-HNNXBMFYSA-N 1 0 247.338 2.280 20 10 BECDRO CCN1CC[N@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC000250198472 644748420 /nfs/dbraw/zinc/74/84/20/644748420.db2.gz BCFLPSZIVMVLGP-CYBMUJFWSA-N 1 0 248.370 2.227 20 10 BECDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccccc1O ZINC000783520183 644756149 /nfs/dbraw/zinc/75/61/49/644756149.db2.gz YWDHYBNNWLKGBQ-ZYHUDNBSSA-N 1 0 235.327 2.204 20 10 BECDRO COc1cc(C[N@@H+]2CC[C@@H](F)C2)c(O)cc1C ZINC000840105029 644866519 /nfs/dbraw/zinc/86/65/19/644866519.db2.gz WPKCUOWQOLVRJA-LLVKDONJSA-N 1 0 239.290 2.253 20 10 BECDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccccc1O ZINC000304065302 644868515 /nfs/dbraw/zinc/86/85/15/644868515.db2.gz SVJPLIPCBCATKU-RISCZKNCSA-N 1 0 237.343 2.279 20 10 BECDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817980730 644994155 /nfs/dbraw/zinc/99/41/55/644994155.db2.gz WRJGUILDQZVIKB-AAEUAGOBSA-N 1 0 235.375 2.141 20 10 BECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000824636621 645056805 /nfs/dbraw/zinc/05/68/05/645056805.db2.gz RWMSNHSHTJOTLC-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO CCc1cccc(C[NH+]2CC(CCOC)C2)c1O ZINC000826894393 645069191 /nfs/dbraw/zinc/06/91/91/645069191.db2.gz ODSFYJZCPFHIGU-UHFFFAOYSA-N 1 0 249.354 2.423 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C[C@H](C)O)C2CC2)c1 ZINC000848928578 645444297 /nfs/dbraw/zinc/44/42/97/645444297.db2.gz HVJNZWFMZQXALN-NSHDSACASA-N 1 0 235.327 2.046 20 10 BECDRO CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccccc1O ZINC000927148378 645571301 /nfs/dbraw/zinc/57/13/01/645571301.db2.gz RDNQDNQMYNGAHF-GVXVVHGQSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H]2CCC=CO2)c(O)c1 ZINC000877459574 645796883 /nfs/dbraw/zinc/79/68/83/645796883.db2.gz LDINSVRGTXTOGA-ZDUSSCGKSA-N 1 0 233.311 2.483 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000877605956 645800941 /nfs/dbraw/zinc/80/09/41/645800941.db2.gz YFPFYLWUZJWOLQ-DOMZBBRYSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1COC[C@@H]1C ZINC000925077560 646177673 /nfs/dbraw/zinc/17/76/73/646177673.db2.gz BLXRWXRWYKYCHH-WFASDCNBSA-N 1 0 248.370 2.186 20 10 BECDRO COC/C(C)=C/C[N@H+](C)Cc1ccccc1O ZINC000929976820 646383326 /nfs/dbraw/zinc/38/33/26/646383326.db2.gz QIZZTMBJFBDAPP-XYOKQWHBSA-N 1 0 235.327 2.417 20 10 BECDRO CCC1(C[NH2+]Cc2cccc(C)c2O)COC1 ZINC000393989085 711681278 /nfs/dbraw/zinc/68/12/78/711681278.db2.gz NLBGITMMWQZYOU-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO C[C@@H](O)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000227958300 711833160 /nfs/dbraw/zinc/83/31/60/711833160.db2.gz CYDPBPWJHMHEBJ-SECBINFHSA-N 1 0 243.734 2.296 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+]CCOCCF ZINC000702645353 712057930 /nfs/dbraw/zinc/05/79/30/712057930.db2.gz KVWSUQCGUPNRGP-UHFFFAOYSA-N 1 0 247.697 2.121 20 10 BECDRO C[C@H]([NH2+]C[C@](C)(O)C(F)F)c1ccccc1O ZINC000705015436 712121431 /nfs/dbraw/zinc/12/14/31/712121431.db2.gz TUJSCSDMHOOEKF-UFBFGSQYSA-N 1 0 245.269 2.059 20 10 BECDRO Oc1cccc(Br)c1C[NH2+]CCF ZINC000706808425 712156653 /nfs/dbraw/zinc/15/66/53/712156653.db2.gz NLLQLRHBKXBTNH-UHFFFAOYSA-N 1 0 248.095 2.214 20 10 BECDRO COc1cccc(C[N@H+](C)CCCF)c1O ZINC000716630724 712568272 /nfs/dbraw/zinc/56/82/72/712568272.db2.gz UBXOYAANAAYPJI-UHFFFAOYSA-N 1 0 227.279 2.192 20 10 BECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cccc(C)c1O ZINC000716813982 712575997 /nfs/dbraw/zinc/57/59/97/712575997.db2.gz JIVIAEANYLDFNS-AAEUAGOBSA-N 1 0 237.343 2.340 20 10 BECDRO C/C=C\C[NH2+]Cc1cc(OC)ccc1O ZINC000384949096 712707016 /nfs/dbraw/zinc/70/70/16/712707016.db2.gz VELIOPFJTQLJAR-ARJAWSKDSA-N 1 0 207.273 2.067 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000380571775 712901555 /nfs/dbraw/zinc/90/15/55/712901555.db2.gz OJVAQBZUPHFDBH-SKDRFNHKSA-N 1 0 221.300 2.289 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H](C)O ZINC000386996382 711039243 /nfs/dbraw/zinc/03/92/43/711039243.db2.gz LCZXHFWLDZWRDX-WOPDTQHZSA-N 1 0 236.359 2.173 20 10 BECDRO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000386996378 711039591 /nfs/dbraw/zinc/03/95/91/711039591.db2.gz LCZXHFWLDZWRDX-SRVKXCTJSA-N 1 0 236.359 2.173 20 10 BECDRO Oc1ccccc1C[NH2+]CCOC1CCC1 ZINC000390799418 711135146 /nfs/dbraw/zinc/13/51/46/711135146.db2.gz WOXKRQIMUVNXSS-UHFFFAOYSA-N 1 0 221.300 2.051 20 10 BECDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccccc1O ZINC000394072999 711183148 /nfs/dbraw/zinc/18/31/48/711183148.db2.gz RBMJTNRMCKXPTA-NEPJUHHUSA-N 1 0 237.343 2.307 20 10 BECDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccccc1O ZINC000394073004 711183609 /nfs/dbraw/zinc/18/36/09/711183609.db2.gz RBMJTNRMCKXPTA-VXGBXAGGSA-N 1 0 237.343 2.307 20 10 BECDRO Cc1ccc(O)c(CN(C)C2(C[NH3+])CCC2)c1 ZINC000395383776 711209951 /nfs/dbraw/zinc/20/99/51/711209951.db2.gz KXLRXFNTWFKLER-UHFFFAOYSA-N 1 0 234.343 2.014 20 10 BECDRO C[C@H]([NH2+]CCc1ccc(N)cc1)C1CC1 ZINC000397962698 711398183 /nfs/dbraw/zinc/39/81/83/711398183.db2.gz FTFNADNFZNARIP-JTQLQIEISA-N 1 0 204.317 2.199 20 10 BECDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)O1 ZINC000398101167 711400958 /nfs/dbraw/zinc/40/09/58/711400958.db2.gz XFQYKMHOKYEXDP-BXKDBHETSA-N 1 0 239.290 2.188 20 10 BECDRO CC[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000386028707 711020571 /nfs/dbraw/zinc/02/05/71/711020571.db2.gz ZDPPCHMPALINLV-OAHLLOKOSA-N 1 0 247.338 2.280 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(C)CCOC2)c1 ZINC000397123509 711376516 /nfs/dbraw/zinc/37/65/16/711376516.db2.gz OUDRNXOMPVLEBU-CQSZACIVSA-N 1 0 235.327 2.217 20 10 BECDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2O)C[C@H]1C[NH3+] ZINC000397322900 711380171 /nfs/dbraw/zinc/38/01/71/711380171.db2.gz TYSPKHNEKYQMHF-MBNYWOFBSA-N 1 0 248.370 2.197 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC2=CCOCC2)c1 ZINC000397739112 711390166 /nfs/dbraw/zinc/39/01/66/711390166.db2.gz UURPPKCRLVURMF-UHFFFAOYSA-N 1 0 233.311 2.137 20 10 BECDRO CN(C)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000397826187 711392923 /nfs/dbraw/zinc/39/29/23/711392923.db2.gz BCGXXPCBMKCRDU-LBPRGKRZSA-N 1 0 246.354 2.063 20 10 BECDRO OCC[C@@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000725087784 711650854 /nfs/dbraw/zinc/65/08/54/711650854.db2.gz JEJOJMHUODMOGR-CQSZACIVSA-N 1 0 249.354 2.423 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)C2CC2)cc1 ZINC000385754692 711759533 /nfs/dbraw/zinc/75/95/33/711759533.db2.gz SJOAFPQTIWRNJS-HNNXBMFYSA-N 1 0 248.370 2.003 20 10 BECDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000160599035 711808994 /nfs/dbraw/zinc/80/89/94/711808994.db2.gz XMVSESJCQWSFSC-QMMMGPOBSA-N 1 0 243.734 2.295 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2ccccn2)c1 ZINC000071406183 711898350 /nfs/dbraw/zinc/89/83/50/711898350.db2.gz CGRBXTQSIHXPNH-UHFFFAOYSA-N 1 0 228.295 2.385 20 10 BECDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2O)O1 ZINC000701511524 712024882 /nfs/dbraw/zinc/02/48/82/712024882.db2.gz JVRPZALHVGXULD-YPMHNXCESA-N 1 0 235.327 2.439 20 10 BECDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccccc2O)O1 ZINC000701511523 712025184 /nfs/dbraw/zinc/02/51/84/712025184.db2.gz JVRPZALHVGXULD-WCQYABFASA-N 1 0 235.327 2.439 20 10 BECDRO CCO[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000701660935 712026745 /nfs/dbraw/zinc/02/67/45/712026745.db2.gz FCJNFOIWZXOSLC-LBPRGKRZSA-N 1 0 221.300 2.003 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CCC1CC(O)C1)CC2 ZINC000702437271 712053090 /nfs/dbraw/zinc/05/30/90/712053090.db2.gz RRPPLDCGWJNIKT-KGPNIALWSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@H](F)CC[NH2+]Cc1cc(F)ccc1O ZINC000702641881 712058139 /nfs/dbraw/zinc/05/81/39/712058139.db2.gz OAMFCRFGBIKLNG-QMMMGPOBSA-N 1 0 215.243 2.369 20 10 BECDRO C[C@H]([NH2+]CCOCCF)c1ccccc1O ZINC000702652946 712058628 /nfs/dbraw/zinc/05/86/28/712058628.db2.gz AQXXGSNEENTQDQ-JTQLQIEISA-N 1 0 227.279 2.029 20 10 BECDRO CO[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000706532185 712149499 /nfs/dbraw/zinc/14/94/99/712149499.db2.gz LDXXQOWTPHATTK-KYZUINATSA-N 1 0 241.718 2.313 20 10 BECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1(C)CC1 ZINC000706903495 712160477 /nfs/dbraw/zinc/16/04/77/712160477.db2.gz PIAABCZEGLUWDC-VIFPVBQESA-N 1 0 249.310 2.399 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000708711643 712197788 /nfs/dbraw/zinc/19/77/88/712197788.db2.gz QHWCMJQBCKUIQG-KGYLQXTDSA-N 1 0 247.338 2.394 20 10 BECDRO CCc1cccc(C[NH2+]C[C@](C)(O)CC)c1O ZINC000709420229 712221469 /nfs/dbraw/zinc/22/14/69/712221469.db2.gz XSFWFOIYXVIOFT-CQSZACIVSA-N 1 0 237.343 2.205 20 10 BECDRO CCc1cccc(C[NH2+]CC2=CCOCC2)c1O ZINC000709506993 712223241 /nfs/dbraw/zinc/22/32/41/712223241.db2.gz NLYWWXRFOCQYNJ-UHFFFAOYSA-N 1 0 247.338 2.391 20 10 BECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(CO)CC1 ZINC000710158026 712246884 /nfs/dbraw/zinc/24/68/84/712246884.db2.gz FRKRNDGRJUHBCX-LBPRGKRZSA-N 1 0 248.370 2.003 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000711492861 712307283 /nfs/dbraw/zinc/30/72/83/712307283.db2.gz UVVSSLSWNORSSR-SNVBAGLBSA-N 1 0 239.290 2.192 20 10 BECDRO CCOCC(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000379091650 712369374 /nfs/dbraw/zinc/36/93/74/712369374.db2.gz ABEOMQQHONNIIV-UHFFFAOYSA-N 1 0 241.306 2.436 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N(C)C)cc1 ZINC000712529090 712441476 /nfs/dbraw/zinc/44/14/76/712441476.db2.gz MKGKUFBDPKKBAE-WFASDCNBSA-N 1 0 247.386 2.107 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N(C)C)cc1 ZINC000712529086 712441652 /nfs/dbraw/zinc/44/16/52/712441652.db2.gz MKGKUFBDPKKBAE-DOMZBBRYSA-N 1 0 247.386 2.107 20 10 BECDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000712530570 712441695 /nfs/dbraw/zinc/44/16/95/712441695.db2.gz PAFAHUUEFREUJK-OLZOCXBDSA-N 1 0 248.370 2.445 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000714443033 712489279 /nfs/dbraw/zinc/48/92/79/712489279.db2.gz KGYIVBQVTYZPRC-BJHJDKERSA-N 1 0 235.327 2.215 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715476024 712520827 /nfs/dbraw/zinc/52/08/27/712520827.db2.gz ZTAWBPIGAPZWFW-DZGCQCFKSA-N 1 0 247.338 2.439 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C2CCC2)cc1C ZINC000825239687 712592236 /nfs/dbraw/zinc/59/22/36/712592236.db2.gz BYFFIZUOYYDUHW-OAHLLOKOSA-N 1 0 249.354 2.260 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000379960145 712636673 /nfs/dbraw/zinc/63/66/73/712636673.db2.gz AYKLECFJZKOBHI-CYBMUJFWSA-N 1 0 233.311 2.483 20 10 BECDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccccc1O ZINC000717603441 712661913 /nfs/dbraw/zinc/66/19/13/712661913.db2.gz IDXYJAZJAICCAK-GWCFXTLKSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2C)c1 ZINC000719559707 712809353 /nfs/dbraw/zinc/80/93/53/712809353.db2.gz NRVDHLJNIYUOBP-SCRDCRAPSA-N 1 0 248.370 2.444 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2C)cc1C ZINC000719596383 712813387 /nfs/dbraw/zinc/81/33/87/712813387.db2.gz AKPBXXQERSRIEJ-GXTWGEPZSA-N 1 0 248.370 2.186 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2C)cc1C ZINC000719596385 712813447 /nfs/dbraw/zinc/81/34/47/712813447.db2.gz AKPBXXQERSRIEJ-OCCSQVGLSA-N 1 0 248.370 2.186 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720865116 712871140 /nfs/dbraw/zinc/87/11/40/712871140.db2.gz NALIZMQJYBCNRP-OSAQELSMSA-N 1 0 247.338 2.439 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720865112 712871568 /nfs/dbraw/zinc/87/15/68/712871568.db2.gz NALIZMQJYBCNRP-CORIIIEPSA-N 1 0 247.338 2.439 20 10 BECDRO C[C@@H]([NH2+]CCF)c1cc(F)cc(F)c1[O-] ZINC000380309167 712873893 /nfs/dbraw/zinc/87/38/93/712873893.db2.gz GLIFYPVRGKPSTE-ZCFIWIBFSA-N 1 0 219.206 2.291 20 10 BECDRO CC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccccc1O ZINC000720940720 712881038 /nfs/dbraw/zinc/88/10/38/712881038.db2.gz QYHAXELNEHLPAN-GVXVVHGQSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1c(O)ccc(C[NH+]2CCCC2)c1O ZINC001140742043 960545504 /nfs/dbraw/zinc/54/55/04/960545504.db2.gz IIJOQYLSKWGXBA-UHFFFAOYSA-N 1 0 207.273 2.002 20 10 BECDRO CCCC[N@H+](C)Cc1ccc(O)cc1O ZINC001204271711 966950962 /nfs/dbraw/zinc/95/09/62/966950962.db2.gz CILCVZIUUCLMRY-UHFFFAOYSA-N 1 0 209.289 2.330 20 10 BECDRO CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc(C)cc1 ZINC000695667428 1166663612 /nfs/dbraw/zinc/66/36/12/1166663612.db2.gz SRPRKLRZTUIQGK-CYBMUJFWSA-N 1 0 244.338 2.395 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2ccc(N)cc2)[C@H](C)C1 ZINC000310035759 1167342147 /nfs/dbraw/zinc/34/21/47/1167342147.db2.gz KTYUTTRYVXYUMF-BXUZGUMPSA-N 1 0 234.343 2.268 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H](C)CO ZINC000168738463 1168336686 /nfs/dbraw/zinc/33/66/86/1168336686.db2.gz KYWWAQHUOOCLDJ-HBNTYKKESA-N 1 0 235.327 2.219 20 10 BECDRO Cc1cc(F)cc(C[NH+]2CC=CC2)c1O ZINC001238056254 980132020 /nfs/dbraw/zinc/13/20/20/980132020.db2.gz GFLVACCMHZICCS-UHFFFAOYSA-N 1 0 207.248 2.212 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CC1=CCOCC1)CC2 ZINC000397755146 1169259580 /nfs/dbraw/zinc/25/95/80/1169259580.db2.gz RQMFHQNNEVTTMV-ZDUSSCGKSA-N 1 0 245.322 2.316 20 10 BECDRO CCC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001257307518 971195971 /nfs/dbraw/zinc/19/59/71/971195971.db2.gz OSSZSSMLQWGTQS-VIFPVBQESA-N 1 0 239.315 2.124 20 10 BECDRO CCC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257309465 971201991 /nfs/dbraw/zinc/20/19/91/971201991.db2.gz UQSXVIQTXBOIJE-VIFPVBQESA-N 1 0 237.299 2.059 20 10 BECDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CO[C@H]1C ZINC000405718482 971297339 /nfs/dbraw/zinc/29/73/39/971297339.db2.gz CYJJWFTWYSBZIX-MJVIPROJSA-N 1 0 247.338 2.135 20 10 BECDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000405718478 971297992 /nfs/dbraw/zinc/29/79/92/971297992.db2.gz CYJJWFTWYSBZIX-COPLHBTASA-N 1 0 247.338 2.135 20 10 BECDRO CC1(C)C[NH2+]CC[C@H]1OCc1ccc(N)cc1 ZINC001217878582 971473250 /nfs/dbraw/zinc/47/32/50/971473250.db2.gz YBPYFQQXZJKOEY-CYBMUJFWSA-N 1 0 234.343 2.174 20 10 BECDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CCO1 ZINC000721438167 1169650242 /nfs/dbraw/zinc/65/02/42/1169650242.db2.gz NLAHGSRKXRGUAH-YPMHNXCESA-N 1 0 235.327 2.392 20 10 BECDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCCOCC1)CC2 ZINC001170831131 971950549 /nfs/dbraw/zinc/95/05/49/971950549.db2.gz MQMQYTBHWACYQD-CYBMUJFWSA-N 1 0 247.338 2.319 20 10 BECDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccccc1O ZINC000402111344 956979250 /nfs/dbraw/zinc/97/92/50/956979250.db2.gz DKSBWWKKRHBTNM-OUAUKWLOSA-N 1 0 221.300 2.220 20 10 BECDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(F)ccc1O ZINC000402134051 957056069 /nfs/dbraw/zinc/05/60/69/957056069.db2.gz IBSXDOKOMGCSLT-YWVKMMECSA-N 1 0 239.290 2.359 20 10 BECDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N)cc2)CCN1C ZINC001345160844 957162395 /nfs/dbraw/zinc/16/23/95/957162395.db2.gz ZYEXCKMJQVDIBC-SWLSCSKDSA-N 1 0 247.386 2.183 20 10 BECDRO CCc1ccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c(O)c1 ZINC001209887328 957556920 /nfs/dbraw/zinc/55/69/20/957556920.db2.gz VWNKVKAIHUTDSX-TXEJJXNPSA-N 1 0 248.370 2.137 20 10 BECDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140461138 958486062 /nfs/dbraw/zinc/48/60/62/958486062.db2.gz FIJDVYCSXXNGLS-KCJUWKMLSA-N 1 0 241.718 2.001 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001140623047 959220615 /nfs/dbraw/zinc/22/06/15/959220615.db2.gz KSWXUKQYBMZXDE-OAHLLOKOSA-N 1 0 247.338 2.456 20 10 BECDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000693868488 959461097 /nfs/dbraw/zinc/46/10/97/959461097.db2.gz SNQAVYHLKHYONO-CYBMUJFWSA-N 1 0 248.370 2.355 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC000724813725 959686096 /nfs/dbraw/zinc/68/60/96/959686096.db2.gz GZLHDVCLYGEUPI-IUODEOHRSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001140748156 959793259 /nfs/dbraw/zinc/79/32/59/959793259.db2.gz SMLNYYNGVIDNGI-PWSUYJOCSA-N 1 0 233.311 2.391 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000690788538 959810119 /nfs/dbraw/zinc/81/01/19/959810119.db2.gz FYXDOFHQKWXOGN-OCCSQVGLSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1O ZINC000690789009 959838104 /nfs/dbraw/zinc/83/81/04/959838104.db2.gz HIOCNSHJCLNYGJ-UONOGXRCSA-N 1 0 247.338 2.169 20 10 BECDRO CC(C)C[N@H+](C)Cc1cc(O)ccc1O ZINC001141155841 960407836 /nfs/dbraw/zinc/40/78/36/960407836.db2.gz LTNXUWKHNMDYSK-UHFFFAOYSA-N 1 0 209.289 2.186 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c1 ZINC001140619366 960459368 /nfs/dbraw/zinc/45/93/68/960459368.db2.gz BVTRCICTEVFFHX-IUODEOHRSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c1 ZINC001140619395 960459984 /nfs/dbraw/zinc/45/99/84/960459984.db2.gz CCNACWMWRHURHL-IUODEOHRSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1c(O)ccc(C[N@@H+](C)CC(C)C)c1O ZINC001140741791 960541354 /nfs/dbraw/zinc/54/13/54/960541354.db2.gz CDRZCEAEHCTZEX-UHFFFAOYSA-N 1 0 223.316 2.494 20 10 BECDRO Cc1ccc(C[N@@H+](C)C2CCOCC2)c(O)c1 ZINC001140948310 960743014 /nfs/dbraw/zinc/74/30/14/960743014.db2.gz CYSBXEAGPYCKFN-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c(O)c1 ZINC001140948181 960749627 /nfs/dbraw/zinc/74/96/27/960749627.db2.gz WYTLMSJTMFOEMJ-DOMZBBRYSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@H]2CN(C)C)c(O)c1 ZINC001140950992 960763400 /nfs/dbraw/zinc/76/34/00/960763400.db2.gz SAWIEIKCUQVGGE-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]2C)c(OC)c1 ZINC001141032237 960824441 /nfs/dbraw/zinc/82/44/41/960824441.db2.gz WVBIGOJIKYHNNC-SECBINFHSA-N 1 0 237.299 2.004 20 10 BECDRO C[C@]1(CF)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156119 960890602 /nfs/dbraw/zinc/89/06/02/960890602.db2.gz FWVIWJOCBKZMNV-CYBMUJFWSA-N 1 0 239.290 2.279 20 10 BECDRO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156564 960892113 /nfs/dbraw/zinc/89/21/13/960892113.db2.gz NHMIWFXCJSPHSW-ONGXEEELSA-N 1 0 239.290 2.278 20 10 BECDRO Oc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC001141155808 960892433 /nfs/dbraw/zinc/89/24/33/960892433.db2.gz KHKRDHQEHJBMPP-QWRGUYRKSA-N 1 0 233.311 2.330 20 10 BECDRO C[N@H+](Cc1cc(O)ccc1O)C1CC(F)(F)C1 ZINC001141156546 960893237 /nfs/dbraw/zinc/89/32/37/960893237.db2.gz ZPVFNGPRCNTTQD-UHFFFAOYSA-N 1 0 243.253 2.327 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001141162521 960904164 /nfs/dbraw/zinc/90/41/64/960904164.db2.gz VPEUSIPCHJZQSR-JOYOIKCWSA-N 1 0 219.284 2.082 20 10 BECDRO COc1ccc(CN[C@H]2CCC[NH2+][C@H]2C)cc1C ZINC000841064739 961248149 /nfs/dbraw/zinc/24/81/49/961248149.db2.gz INGPZPYCQZOOCY-JSGCOSHPSA-N 1 0 248.370 2.234 20 10 BECDRO COc1ccc(CN[C@@H]2CCC[NH2+][C@@H]2C)cc1C ZINC000841064741 961250494 /nfs/dbraw/zinc/25/04/94/961250494.db2.gz INGPZPYCQZOOCY-TZMCWYRMSA-N 1 0 248.370 2.234 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1C ZINC000402008991 961702559 /nfs/dbraw/zinc/70/25/59/961702559.db2.gz APBFRICPYWRHME-DGCLKSJQSA-N 1 0 235.327 2.271 20 10 BECDRO Cc1ccc(O)c(CN2CCC([NH+](C)C)CC2)c1 ZINC000132200892 962385990 /nfs/dbraw/zinc/38/59/90/962385990.db2.gz WHZKUZNMCARHGU-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO CCN(Cc1ccccc1O)c1cc(N)cc[nH+]1 ZINC001154882087 962879613 /nfs/dbraw/zinc/87/96/13/962879613.db2.gz RCYXGWQPNNBESP-UHFFFAOYSA-N 1 0 243.310 2.396 20 10 BECDRO C[C@H]([NH2+]CCN1CCC1)c1ccc(N(C)C)cc1 ZINC000697417421 963913966 /nfs/dbraw/zinc/91/39/66/963913966.db2.gz LEXGBVCZKNIJSM-ZDUSSCGKSA-N 1 0 247.386 2.109 20 10 BECDRO CCN1CC[C@H]([N@H+](CC)Cc2ccccc2O)C1 ZINC000822247218 963960098 /nfs/dbraw/zinc/96/00/98/963960098.db2.gz WAVREQGEBDMROZ-AWEZNQCLSA-N 1 0 248.370 2.308 20 10 BECDRO Nc1ccc(Nc2cnc3c(c2)C[NH2+]CC3)cc1 ZINC001159138329 964008518 /nfs/dbraw/zinc/00/85/18/964008518.db2.gz DQIXBKSVZVUTKP-UHFFFAOYSA-N 1 0 240.310 2.053 20 10 BECDRO C[NH2+]C1CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001204714369 964620615 /nfs/dbraw/zinc/62/06/15/964620615.db2.gz MNRMTVQDGMJFCL-UHFFFAOYSA-N 1 0 248.370 2.093 20 10 BECDRO Cc1c[nH+]c(NCc2ccc(N)cc2)c(N)c1 ZINC001162787574 965170875 /nfs/dbraw/zinc/17/08/75/965170875.db2.gz NMSUGEBOIRYFCH-UHFFFAOYSA-N 1 0 228.299 2.167 20 10 BECDRO C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000699773176 966082582 /nfs/dbraw/zinc/08/25/82/966082582.db2.gz GBBZOVUWLIHJKY-USWWRNFRSA-N 1 0 233.311 2.004 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC000699788440 966091153 /nfs/dbraw/zinc/09/11/53/966091153.db2.gz NWCIIOWGAGDNBS-GMXVVIOVSA-N 1 0 235.327 2.386 20 10 BECDRO COc1ccc(C[NH2+][C@H]2COC[C@@H]2C)cc1C ZINC000699791449 966094404 /nfs/dbraw/zinc/09/44/04/966094404.db2.gz UCTBFUXEMDXPSP-AAEUAGOBSA-N 1 0 235.327 2.128 20 10 BECDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000699996102 966304790 /nfs/dbraw/zinc/30/47/90/966304790.db2.gz XOOIFOFXUGDVDY-UHFFFAOYSA-N 1 0 234.343 2.021 20 10 BECDRO Oc1ccccc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001203550233 966676195 /nfs/dbraw/zinc/67/61/95/966676195.db2.gz NKPPXCQMIPUWGS-MNOVXSKESA-N 1 0 239.265 2.479 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001203550028 966679288 /nfs/dbraw/zinc/67/92/88/966679288.db2.gz FUBRDBXLUICSAR-AWEZNQCLSA-N 1 0 233.311 2.147 20 10 BECDRO C[C@]1(O)CCCC[N@H+](Cc2ccccc2O)C1 ZINC001203550402 966680984 /nfs/dbraw/zinc/68/09/84/966680984.db2.gz VIBMJCFABFCQTR-AWEZNQCLSA-N 1 0 235.327 2.129 20 10 BECDRO Oc1ccccc1C[NH+]1CCC(N2CCC2)CC1 ZINC001203563023 966689766 /nfs/dbraw/zinc/68/97/66/966689766.db2.gz SYCPKOBIQKDQLJ-UHFFFAOYSA-N 1 0 246.354 2.062 20 10 BECDRO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001203556714 966690242 /nfs/dbraw/zinc/69/02/42/966690242.db2.gz UZOOILUGTOHRMH-SDDRHHMPSA-N 1 0 221.275 2.325 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CCC3(CC3)C2)c1 ZINC001203670716 966734648 /nfs/dbraw/zinc/73/46/48/966734648.db2.gz XSICFJOFGHQIAJ-UHFFFAOYSA-N 1 0 233.311 2.387 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1O ZINC001203878825 966804719 /nfs/dbraw/zinc/80/47/19/966804719.db2.gz DCNWXLXYFLOOIB-MNOVXSKESA-N 1 0 219.284 2.082 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1O ZINC001203883015 966808558 /nfs/dbraw/zinc/80/85/58/966808558.db2.gz ZRFRLOGDRRGGKL-UHFFFAOYSA-N 1 0 233.311 2.474 20 10 BECDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882618 966809740 /nfs/dbraw/zinc/80/97/40/966809740.db2.gz NYAGKVRISWXWDI-NSHDSACASA-N 1 0 221.300 2.472 20 10 BECDRO CC[N@H+](CCN(C)C)Cc1ccc(N(C)C)cc1 ZINC001203929446 966825418 /nfs/dbraw/zinc/82/54/18/966825418.db2.gz CTFAULXVTSJHRK-UHFFFAOYSA-N 1 0 249.402 2.136 20 10 BECDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccccc1O ZINC001203550122 966932918 /nfs/dbraw/zinc/93/29/18/966932918.db2.gz IMSYQTJBCPEOQD-MWLCHTKSSA-N 1 0 209.264 2.325 20 10 BECDRO Oc1ccc(C[NH+]2CCC(F)(F)CC2)c(O)c1 ZINC001204273000 966951761 /nfs/dbraw/zinc/95/17/61/966951761.db2.gz VYADASDIKSTAKF-UHFFFAOYSA-N 1 0 243.253 2.329 20 10 BECDRO Oc1ccc(C[N@@H+]2CCc3occc3C2)c(O)c1 ZINC001204279573 966960957 /nfs/dbraw/zinc/96/09/57/966960957.db2.gz BMRVFEZDQSKXKT-UHFFFAOYSA-N 1 0 245.278 2.249 20 10 BECDRO COc1cc(C[N@@H+]2CCCC23CC3)cc(O)c1O ZINC001204343492 966973594 /nfs/dbraw/zinc/97/35/94/966973594.db2.gz RTWYJNFAESHXLC-UHFFFAOYSA-N 1 0 249.310 2.235 20 10 BECDRO CCCC[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204340488 966975108 /nfs/dbraw/zinc/97/51/08/966975108.db2.gz TYIFNKVBRRHHNO-UHFFFAOYSA-N 1 0 239.315 2.338 20 10 BECDRO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001203558679 967020553 /nfs/dbraw/zinc/02/05/53/967020553.db2.gz UZOOILUGTOHRMH-SRVKXCTJSA-N 1 0 221.275 2.325 20 10 BECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CO1 ZINC000711231930 968004223 /nfs/dbraw/zinc/00/42/23/968004223.db2.gz NVMFKNGSDVFTTH-RYUDHWBXSA-N 1 0 221.300 2.049 20 10 BECDRO Oc1ccccc1Nc1cc[nH+]c2c1CCC2 ZINC001206201415 968131946 /nfs/dbraw/zinc/13/19/46/968131946.db2.gz DRFRBUCYECGPIA-UHFFFAOYSA-N 1 0 226.279 2.441 20 10 BECDRO [NH3+][C@@H]1CCN(c2ccc(C3=CCOCC3)cc2)C1 ZINC001164281317 968207466 /nfs/dbraw/zinc/20/74/66/968207466.db2.gz YQRZNBZAKYFHCE-CQSZACIVSA-N 1 0 244.338 2.028 20 10 BECDRO CC1(C)CCc2cc(N3CC[C@@H]([NH3+])C3)ccc2O1 ZINC001164286593 968218134 /nfs/dbraw/zinc/21/81/34/968218134.db2.gz SSTVSACSTLDZJI-GFCCVEGCSA-N 1 0 246.354 2.328 20 10 BECDRO CCCC[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252093935 968571558 /nfs/dbraw/zinc/57/15/58/968571558.db2.gz KQRDYWZJIOHDAY-CYBMUJFWSA-N 1 0 249.354 2.301 20 10 BECDRO COC1CC(C[N@@H+]2Cc3cccc(O)c3C2)C1 ZINC001207242645 968689032 /nfs/dbraw/zinc/68/90/32/968689032.db2.gz DQTAXGYDFICCCU-UHFFFAOYSA-N 1 0 233.311 2.133 20 10 BECDRO Cc1cc(C)c(C[NH2+]C[C@H](O)C(C)C)c(O)c1 ZINC001253785617 969407181 /nfs/dbraw/zinc/40/71/81/969407181.db2.gz XZJVFRVJACWTKG-AWEZNQCLSA-N 1 0 237.343 2.116 20 10 BECDRO CNc1ccccc1NCC[C@H]1CCC[NH2+]1 ZINC001169569707 969766556 /nfs/dbraw/zinc/76/65/56/969766556.db2.gz SVIMHJLWUQVKHY-LLVKDONJSA-N 1 0 219.332 2.282 20 10 BECDRO CCc1cccc(C[NH2+]CCN2CCCC2)c1O ZINC000691461221 969960459 /nfs/dbraw/zinc/96/04/59/969960459.db2.gz UNVZANJCRNDFDH-UHFFFAOYSA-N 1 0 248.370 2.140 20 10 BECDRO CCc1cccc(C[NH2+][C@H](C)C(C)(C)O)c1O ZINC000691463393 969962818 /nfs/dbraw/zinc/96/28/18/969962818.db2.gz FYDCMMKVTYSZCI-SNVBAGLBSA-N 1 0 237.343 2.204 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1O ZINC000691483597 970009126 /nfs/dbraw/zinc/00/91/26/970009126.db2.gz RJSGJOKJAMGMNK-FZMZJTMJSA-N 1 0 249.354 2.469 20 10 BECDRO COc1ccc(N(C)C(C)(C)C[NH3+])c(C)c1 ZINC001170056384 970097175 /nfs/dbraw/zinc/09/71/75/970097175.db2.gz VQPOPAKLRNFHLZ-UHFFFAOYSA-N 1 0 222.332 2.177 20 10 BECDRO COc1c[nH+]ccc1N(C)c1ccc(N)cc1 ZINC001211266026 970217741 /nfs/dbraw/zinc/21/77/41/970217741.db2.gz XHQAFMYYAWDTHP-UHFFFAOYSA-N 1 0 229.283 2.440 20 10 BECDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000304068933 970552511 /nfs/dbraw/zinc/55/25/11/970552511.db2.gz UVDRZHUWBATOEY-FZMZJTMJSA-N 1 0 249.354 2.118 20 10 BECDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCCOC1 ZINC000401592652 970708384 /nfs/dbraw/zinc/70/83/84/970708384.db2.gz XUFGUFACOVPNDR-GFCCVEGCSA-N 1 0 239.290 2.142 20 10 BECDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CO1 ZINC000402055474 970759457 /nfs/dbraw/zinc/75/94/57/970759457.db2.gz RDOZBQMQHBNPJM-ADEWGFFLSA-N 1 0 233.311 2.147 20 10 BECDRO C[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499122 972848318 /nfs/dbraw/zinc/84/83/18/972848318.db2.gz AKIQLEDJCIIDMK-VIFPVBQESA-N 1 0 237.299 2.035 20 10 BECDRO C[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499121 972848855 /nfs/dbraw/zinc/84/88/55/972848855.db2.gz AKIQLEDJCIIDMK-SECBINFHSA-N 1 0 237.299 2.035 20 10 BECDRO C[N@H+](Cc1c(O)cc(O)cc1O)C(C)(C)C ZINC001144509204 972858806 /nfs/dbraw/zinc/85/88/06/972858806.db2.gz OWDGKFBFABETIV-UHFFFAOYSA-N 1 0 225.288 2.034 20 10 BECDRO C[NH2+]C[C@H](C)N[C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001330117859 974114659 /nfs/dbraw/zinc/11/46/59/974114659.db2.gz AFQDSVCRWJSASV-SRVKXCTJSA-N 1 0 248.370 2.446 20 10 BECDRO CCOCC[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001172411522 974676040 /nfs/dbraw/zinc/67/60/40/974676040.db2.gz MWVCDOXLTFNUIS-SNVBAGLBSA-N 1 0 239.315 2.003 20 10 BECDRO Cc1cc(F)cc(Nc2cc[nH+]cc2)c1O ZINC001173883623 975956874 /nfs/dbraw/zinc/95/68/74/975956874.db2.gz VGSHCXBMDOXXGB-UHFFFAOYSA-N 1 0 218.231 2.400 20 10 BECDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(N)cc1)C2 ZINC001334774793 976640896 /nfs/dbraw/zinc/64/08/96/976640896.db2.gz OFEJKWFIFIUJKP-GASCZTMLSA-N 1 0 246.354 2.127 20 10 BECDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CCO1 ZINC000721437578 976798894 /nfs/dbraw/zinc/79/88/94/976798894.db2.gz NLAHGSRKXRGUAH-AAEUAGOBSA-N 1 0 235.327 2.392 20 10 BECDRO CC(=O)c1cccc(O)c1Nc1cc[nH+]cc1C ZINC001174539323 976827438 /nfs/dbraw/zinc/82/74/38/976827438.db2.gz CCFLECDDADCNFJ-UHFFFAOYSA-N 1 0 242.278 2.464 20 10 BECDRO Cc1noc(C)c1CC[NH2+]Cc1ccc(N)cc1 ZINC001335288616 976929054 /nfs/dbraw/zinc/92/90/54/976929054.db2.gz HEXGBBCONGEOAD-UHFFFAOYSA-N 1 0 245.326 2.206 20 10 BECDRO CO[C@H](C)C1C[NH+](Cc2cccc(C)c2O)C1 ZINC001231595149 977639843 /nfs/dbraw/zinc/63/98/43/977639843.db2.gz UAGMOCSSESCJSF-LLVKDONJSA-N 1 0 235.327 2.167 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1O ZINC001231592476 977643004 /nfs/dbraw/zinc/64/30/04/977643004.db2.gz RORTVXCTTIOPEA-OCCSQVGLSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2CO)c1O ZINC001231590792 977643977 /nfs/dbraw/zinc/64/39/77/977643977.db2.gz HTYCQFAMATZVBW-ZDUSSCGKSA-N 1 0 235.327 2.047 20 10 BECDRO CC[C@@H](C)[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231633767 977653859 /nfs/dbraw/zinc/65/38/59/977653859.db2.gz WSQUKYUCXMUWRU-SECBINFHSA-N 1 0 239.315 2.337 20 10 BECDRO COc1cc(C[N@H+](C)C(C)(C)C)c(O)cc1O ZINC001231636131 977654115 /nfs/dbraw/zinc/65/41/15/977654115.db2.gz KGKQDJUSVWNTAP-UHFFFAOYSA-N 1 0 239.315 2.337 20 10 BECDRO COc1cc(C[N@@H+]2CCC[C@H]2C)c(O)cc1O ZINC001231634274 977656615 /nfs/dbraw/zinc/65/66/15/977656615.db2.gz KOPGRKYSYPSJBP-SECBINFHSA-N 1 0 237.299 2.091 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(O)c1 ZINC001231842208 977762068 /nfs/dbraw/zinc/76/20/68/977762068.db2.gz KVXBSSAABIBCAR-OCCSQVGLSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(C)c(C[N@@H+](C)C2(C)COC2)c(O)c1 ZINC001231845644 977762969 /nfs/dbraw/zinc/76/29/69/977762969.db2.gz DZHIXAQABVFAMA-UHFFFAOYSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001231850217 977770449 /nfs/dbraw/zinc/77/04/49/977770449.db2.gz MHSLBKNRADVLIG-CHWSQXEVSA-N 1 0 247.338 2.372 20 10 BECDRO Oc1cccc2c1C[N@H+](Cc1ccns1)CC2 ZINC001232192608 977914725 /nfs/dbraw/zinc/91/47/25/977914725.db2.gz RBEUHXGAVZYRQW-UHFFFAOYSA-N 1 0 246.335 2.407 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)CC2CC2)c(O)c1 ZINC001232834661 978302044 /nfs/dbraw/zinc/30/20/44/978302044.db2.gz IXRKGGFQLLCTQJ-UHFFFAOYSA-N 1 0 234.343 2.300 20 10 BECDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N)cc2)cnn1C ZINC001337837557 978519422 /nfs/dbraw/zinc/51/94/22/978519422.db2.gz CENIZNGQROYMKK-SNVBAGLBSA-N 1 0 244.342 2.162 20 10 BECDRO CCN1CCc2cc(O[C@@H](C)C[NH+](C)C)ccc21 ZINC001233602419 978644826 /nfs/dbraw/zinc/64/48/26/978644826.db2.gz UEAWWIQQIXHTRG-LBPRGKRZSA-N 1 0 248.370 2.398 20 10 BECDRO CCc1ccc(CN2CC[NH2+]C[C@H]2CC)c(O)c1 ZINC001235772248 979147467 /nfs/dbraw/zinc/14/74/67/979147467.db2.gz JPCQCZVEGXABOC-CQSZACIVSA-N 1 0 248.370 2.138 20 10 BECDRO CCc1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC001235901277 979193389 /nfs/dbraw/zinc/19/33/89/979193389.db2.gz JPFVINVJHAXNDR-TXEJJXNPSA-N 1 0 248.370 2.137 20 10 BECDRO Cc1ccc(C)c(CN2[C@H](C)C[NH2+]C[C@H]2C)c1O ZINC001236103402 979387895 /nfs/dbraw/zinc/38/78/95/979387895.db2.gz SZLLEXAVEGTIQW-CHWSQXEVSA-N 1 0 248.370 2.191 20 10 BECDRO Cc1c(CN2CC[C@@H]([NH3+])C2)c2ccccc2n1C ZINC001236167543 979419412 /nfs/dbraw/zinc/41/94/12/979419412.db2.gz CQQUOFXYHSGABI-GFCCVEGCSA-N 1 0 243.354 2.020 20 10 BECDRO Cn1ccc2c1cc[nH+]c2-c1ccc(N)nc1 ZINC001236308314 979511822 /nfs/dbraw/zinc/51/18/22/979511822.db2.gz MIYBVXREURTJEI-UHFFFAOYSA-N 1 0 224.267 2.218 20 10 BECDRO Cc1ccc(C)c(C[NH+]2C[C@@H](C)N[C@H](C)C2)c1O ZINC001236576054 979648259 /nfs/dbraw/zinc/64/82/59/979648259.db2.gz IANWZPLVFJIHQX-CHWSQXEVSA-N 1 0 248.370 2.191 20 10 BECDRO Oc1cc2ccccc2cc1C[N@H+]1CC[C@@H](O)C1 ZINC001236826834 979745989 /nfs/dbraw/zinc/74/59/89/979745989.db2.gz NXTHQVAOTKCMQY-CQSZACIVSA-N 1 0 243.306 2.112 20 10 BECDRO CC[C@H]([NH3+])CN(C)Cc1cc(F)cc(C)c1O ZINC001236885089 979782582 /nfs/dbraw/zinc/78/25/82/979782582.db2.gz YEORIQMMTACILW-LBPRGKRZSA-N 1 0 240.322 2.009 20 10 BECDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]12 ZINC001203561984 979795287 /nfs/dbraw/zinc/79/52/87/979795287.db2.gz AIXHIHUOTBTOQK-DGCLKSJQSA-N 1 0 245.322 2.193 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237486187 979908201 /nfs/dbraw/zinc/90/82/01/979908201.db2.gz WXVOZOSIQGSVQY-GVXVVHGQSA-N 1 0 235.302 2.490 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC001237486209 979909155 /nfs/dbraw/zinc/90/91/55/979909155.db2.gz XYZCKJQSGISREA-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC001237486210 979909431 /nfs/dbraw/zinc/90/94/31/979909431.db2.gz XYZCKJQSGISREA-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001237486242 979910102 /nfs/dbraw/zinc/91/01/02/979910102.db2.gz ZKXIUOMILAIBOL-SWLSCSKDSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC(=O)C[C@@H]1C ZINC001237485354 979911542 /nfs/dbraw/zinc/91/15/42/979911542.db2.gz OSRIOYBCCZFUTI-NSHDSACASA-N 1 0 233.311 2.254 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCOCC1(C)C ZINC001237489022 979919942 /nfs/dbraw/zinc/91/99/42/979919942.db2.gz CNFVUWPKVQSXPR-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cc(F)cc(C[NH+]2CC(C)C2)c1O ZINC001238059065 980123061 /nfs/dbraw/zinc/12/30/61/980123061.db2.gz ZTAWIKHOGDXFIE-UHFFFAOYSA-N 1 0 209.264 2.291 20 10 BECDRO Cc1cc(F)cc(C[N@@H+]2CCCOCC2)c1O ZINC001238056211 980132136 /nfs/dbraw/zinc/13/21/36/980132136.db2.gz FNBWKOVYJLWYAF-UHFFFAOYSA-N 1 0 239.290 2.062 20 10 BECDRO C[C@H](CO)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001345159552 980569674 /nfs/dbraw/zinc/56/96/74/980569674.db2.gz KDOKNLVPOSZQID-GFCCVEGCSA-N 1 0 248.370 2.109 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC001352788494 982576766 /nfs/dbraw/zinc/57/67/66/982576766.db2.gz FDYXGRMGFFWWSM-GFCCVEGCSA-N 1 0 238.281 2.500 20 10 BECDRO Cn1ccc2c1ccnc2C1=CCC[N@H+](C)C1 ZINC001241565202 982807326 /nfs/dbraw/zinc/80/73/26/982807326.db2.gz HCJLDBDLIVTHBZ-UHFFFAOYSA-N 1 0 227.311 2.292 20 10 BECDRO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001203935335 982929991 /nfs/dbraw/zinc/92/99/91/982929991.db2.gz FDGOSSICKUYPIQ-HNNXBMFYSA-N 1 0 246.354 2.306 20 10 BECDRO Cn1ccc2c1cccc2-c1cnc(C[NH3+])nc1 ZINC001241821880 983074942 /nfs/dbraw/zinc/07/49/42/983074942.db2.gz NNTPJUSIDMVSDU-UHFFFAOYSA-N 1 0 238.294 2.094 20 10 BECDRO C[C@H]([NH2+]Cc1ccc(N)cc1)C1CCOCC1 ZINC001356083420 983568734 /nfs/dbraw/zinc/56/87/34/983568734.db2.gz PHFOHSIZPLTLQS-NSHDSACASA-N 1 0 234.343 2.174 20 10 BECDRO CCCC[C@H](O)C[NH2+]Cc1ccccc1O ZINC001252107874 983661279 /nfs/dbraw/zinc/66/12/79/983661279.db2.gz JNAXWTSYZGLYBZ-LBPRGKRZSA-N 1 0 223.316 2.033 20 10 BECDRO Oc1ccccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000688266540 985594154 /nfs/dbraw/zinc/59/41/54/985594154.db2.gz FHTVORSHUPRFIU-GFCCVEGCSA-N 1 0 233.311 2.193 20 10 BECDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2O)CO1 ZINC000688441253 985639260 /nfs/dbraw/zinc/63/92/60/985639260.db2.gz WBSJUCCYHVUIQH-QWHCGFSZSA-N 1 0 235.327 2.358 20 10 BECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CO1 ZINC000688536840 985670902 /nfs/dbraw/zinc/67/09/02/985670902.db2.gz PWOUEUQATSGOFY-UKRRQHHQSA-N 1 0 248.370 2.410 20 10 BECDRO Cc1ccc(CN[C@H]2CC[NH2+]C23CCC3)c(O)c1 ZINC001579696883 986184250 /nfs/dbraw/zinc/18/42/50/986184250.db2.gz KXCFZBLEMHJCDB-AWEZNQCLSA-N 1 0 246.354 2.075 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H]2CCCN2C)c1O ZINC000691461454 987287158 /nfs/dbraw/zinc/28/71/58/987287158.db2.gz VIAGGMBDWYCVJX-CQSZACIVSA-N 1 0 248.370 2.138 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1(CO)CC1 ZINC000696129675 987337981 /nfs/dbraw/zinc/33/79/81/987337981.db2.gz BZERZOXJZYFNQO-ZYHUDNBSSA-N 1 0 247.338 2.130 20 10 BECDRO CC[C@H]([NH3+])CNCc1ccc(N2CCCC2)cc1 ZINC001326077383 989364184 /nfs/dbraw/zinc/36/41/84/989364184.db2.gz WFKYNFCPTSNTHE-AWEZNQCLSA-N 1 0 247.386 2.114 20 10 BECDRO CCC[NH2+]CCNCc1c(O)cccc1Cl ZINC001326076607 989366912 /nfs/dbraw/zinc/36/69/12/989366912.db2.gz QCPFMIDULNJVTJ-UHFFFAOYSA-N 1 0 242.750 2.135 20 10 BECDRO Cc1cc(CN(C)CC[NH+](C)C)ccc1N(C)C ZINC001139669641 990795780 /nfs/dbraw/zinc/79/57/80/990795780.db2.gz FNEOOALJJVWKSF-UHFFFAOYSA-N 1 0 249.402 2.054 20 10 BECDRO C[NH+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336694 990919971 /nfs/dbraw/zinc/91/99/71/990919971.db2.gz WGJYUAOURHTJEX-UHFFFAOYSA-N 1 0 246.354 2.153 20 10 BECDRO CC(C)OCCC[NH2+]Cc1ccc(N)cc1 ZINC000083352243 991117646 /nfs/dbraw/zinc/11/76/46/991117646.db2.gz DLRHICPGUAAQDC-UHFFFAOYSA-N 1 0 222.332 2.174 20 10 BECDRO COc1cc[nH+]c(NCc2ccc(O)c(O)c2)c1 ZINC000083374917 991294630 /nfs/dbraw/zinc/29/46/30/991294630.db2.gz MGFOKELITLJCAR-UHFFFAOYSA-N 1 0 246.266 2.114 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)cc1C ZINC001560625786 991525283 /nfs/dbraw/zinc/52/52/83/991525283.db2.gz ODXDLTVCMGAJJJ-GZBFAFLISA-N 1 0 247.338 2.413 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC001140178815 991548617 /nfs/dbraw/zinc/54/86/17/991548617.db2.gz YFZAWSXUKJJCTJ-CYBMUJFWSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](CO)C2)c1O ZINC001140179934 991549291 /nfs/dbraw/zinc/54/92/91/991549291.db2.gz KFMOPXBWIGRQPN-CYBMUJFWSA-N 1 0 249.354 2.213 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCCC[C@H](O)C2)c1O ZINC001140178700 991550317 /nfs/dbraw/zinc/55/03/17/991550317.db2.gz VBISYAAPSKFXRJ-ZDUSSCGKSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCCC23COC3)c1O ZINC001140182227 991557793 /nfs/dbraw/zinc/55/77/93/991557793.db2.gz LJOLVAWLIMKRIR-UHFFFAOYSA-N 1 0 247.338 2.374 20 10 BECDRO CC[N@H+](Cc1ccncn1)Cc1ccccc1O ZINC001140350641 991627689 /nfs/dbraw/zinc/62/76/89/991627689.db2.gz ODECUBHNGGBUNY-UHFFFAOYSA-N 1 0 243.310 2.204 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462939 991643237 /nfs/dbraw/zinc/64/32/37/991643237.db2.gz OSQCQUKVDPFGCA-NSHDSACASA-N 1 0 241.718 2.266 20 10 BECDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140462262 991643329 /nfs/dbraw/zinc/64/33/29/991643329.db2.gz COAFPFHAYSADAS-NSHDSACASA-N 1 0 241.718 2.002 20 10 BECDRO CN(CC[NH+](C)C)Cc1ccc(Cl)cc1O ZINC001140461145 991644497 /nfs/dbraw/zinc/64/44/97/991644497.db2.gz FIVKDCGVIBLCHD-UHFFFAOYSA-N 1 0 242.750 2.039 20 10 BECDRO C[N@H+](CCF)Cc1ccc(Cl)cc1O ZINC001140468531 991646658 /nfs/dbraw/zinc/64/66/58/991646658.db2.gz NVBGXGUANMCIRC-UHFFFAOYSA-N 1 0 217.671 2.447 20 10 BECDRO C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC001261424427 992296223 /nfs/dbraw/zinc/29/62/23/992296223.db2.gz UOBYBYZAODRYRV-VHSXEESVSA-N 1 0 240.322 2.180 20 10 BECDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc(N)cc1 ZINC001576495169 993323236 /nfs/dbraw/zinc/32/32/36/993323236.db2.gz NKFVJWCFUWZDIN-LLVKDONJSA-N 1 0 222.357 2.252 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)[C@H]1C ZINC000380642643 993342004 /nfs/dbraw/zinc/34/20/04/993342004.db2.gz UOWSZLMVDIYDJX-MNOVXSKESA-N 1 0 204.317 2.499 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)CO1 ZINC001621421444 1170804525 /nfs/dbraw/zinc/80/45/25/1170804525.db2.gz URMFCJKJROABRN-LDYMZIIASA-N 1 0 241.718 2.313 20 10 BECDRO CC[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037238485 1170935442 /nfs/dbraw/zinc/93/54/42/1170935442.db2.gz JKWDHMKINFODDO-CQSZACIVSA-N 1 0 248.370 2.147 20 10 BECDRO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1C ZINC000180866727 178195604 /nfs/dbraw/zinc/19/56/04/178195604.db2.gz IYXIAGKTSKGXQK-OLZOCXBDSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCOC2)cc1C ZINC000106858164 178196112 /nfs/dbraw/zinc/19/61/12/178196112.db2.gz JQRMNLYTQZHKAB-CYBMUJFWSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1C ZINC000180866746 178196389 /nfs/dbraw/zinc/19/63/89/178196389.db2.gz IYXIAGKTSKGXQK-CHWSQXEVSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1C ZINC000280404123 178196796 /nfs/dbraw/zinc/19/67/96/178196796.db2.gz HJXBJFRIONOYMP-AWEZNQCLSA-N 1 0 249.354 2.212 20 10 BECDRO CC[C@H](O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297079995 343988858 /nfs/dbraw/zinc/98/88/58/343988858.db2.gz WSEJBNMZLQWFFV-RYUDHWBXSA-N 1 0 235.327 2.130 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)O)c1 ZINC000083461146 398282366 /nfs/dbraw/zinc/28/23/66/398282366.db2.gz XWFFYJVJDBYLFC-JTQLQIEISA-N 1 0 223.316 2.122 20 10 BECDRO CCC(CC)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879052 168389700 /nfs/dbraw/zinc/38/97/00/168389700.db2.gz AOZBJLQGNIODCU-UHFFFAOYSA-N 1 0 237.299 2.399 20 10 BECDRO C[C@@H]([NH2+]CCCn1cccn1)c1ccccc1O ZINC000136420399 398342338 /nfs/dbraw/zinc/34/23/38/398342338.db2.gz FEBHKPYEGRJDJR-GFCCVEGCSA-N 1 0 245.326 2.330 20 10 BECDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccccc1O ZINC000037155771 343337323 /nfs/dbraw/zinc/33/73/23/343337323.db2.gz IKHXLZBOOKRLPN-VXGBXAGGSA-N 1 0 245.326 2.328 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCN(C)C ZINC000021968369 178805044 /nfs/dbraw/zinc/80/50/44/178805044.db2.gz DIZVRCMDNBKRSC-RYUDHWBXSA-N 1 0 248.370 2.400 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000185829877 178803180 /nfs/dbraw/zinc/80/31/80/178803180.db2.gz VZUTYJGDMCUPHN-FRRDWIJNSA-N 1 0 247.338 2.288 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCC[C@@H]1O ZINC000089912284 345565671 /nfs/dbraw/zinc/56/56/71/345565671.db2.gz LCQSRMMAEFABKW-OCCSQVGLSA-N 1 0 235.327 2.128 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)O)cc1 ZINC000179585995 187307880 /nfs/dbraw/zinc/30/78/80/187307880.db2.gz ZOXXGUQFOHMLFX-NEPJUHHUSA-N 1 0 236.359 2.174 20 10 BECDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CCOC2)c1 ZINC000093840259 537969550 /nfs/dbraw/zinc/96/95/50/537969550.db2.gz PHBBMDNMPYWIJZ-LBPRGKRZSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cccc(C[N@H+](C)C[C@@H]2CCOC2)c1O ZINC000180623975 179066986 /nfs/dbraw/zinc/06/69/86/179066986.db2.gz FOGCVITZBZCKLK-LBPRGKRZSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@](C)(O)CC2)c1O ZINC000279713693 179075944 /nfs/dbraw/zinc/07/59/44/179075944.db2.gz SVEHVORUJIDYKR-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cccc(C[NH2+]CCC(C)(C)CO)c1O ZINC000294900819 179090138 /nfs/dbraw/zinc/09/01/38/179090138.db2.gz XEZUPNFWRUZYDV-UHFFFAOYSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1nnsc1C[NH2+]Cc1cccc(C)c1O ZINC000292784187 179095770 /nfs/dbraw/zinc/09/57/70/179095770.db2.gz LVGKPTQRGJYNST-UHFFFAOYSA-N 1 0 249.339 2.150 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1O ZINC000190303551 179101237 /nfs/dbraw/zinc/10/12/37/179101237.db2.gz OXYIWWGLQNWCHJ-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCSC2)c1O ZINC000224888962 179101930 /nfs/dbraw/zinc/10/19/30/179101930.db2.gz DCAWCGLOYWPWAI-NSHDSACASA-N 1 0 223.341 2.296 20 10 BECDRO CC[NH+](CC)Cc1cccc(OC)c1O ZINC000004690821 346606002 /nfs/dbraw/zinc/60/60/02/346606002.db2.gz ZAUPPDPXJKJGKW-UHFFFAOYSA-N 1 0 209.289 2.243 20 10 BECDRO CC[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccccc1O ZINC000168723269 346741791 /nfs/dbraw/zinc/74/17/91/346741791.db2.gz PQKSKGXSRNBRPX-WCQYABFASA-N 1 0 236.359 2.383 20 10 BECDRO Cc1cc(C)cc(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000637941781 351818912 /nfs/dbraw/zinc/81/89/12/351818912.db2.gz GTAJYRZGAQDNEL-CYBMUJFWSA-N 1 0 244.338 2.314 20 10 BECDRO [O-]c1c(F)cccc1C[NH+]1CCSCC1 ZINC000272247757 188026664 /nfs/dbraw/zinc/02/66/64/188026664.db2.gz HTZWSBMFVHQQMY-UHFFFAOYSA-N 1 0 227.304 2.080 20 10 BECDRO CC(C)(CCO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297507053 188282843 /nfs/dbraw/zinc/28/28/43/188282843.db2.gz CHVSNTMHSDNRFQ-GFCCVEGCSA-N 1 0 249.354 2.378 20 10 BECDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccccc1O ZINC000290375641 188389415 /nfs/dbraw/zinc/38/94/15/188389415.db2.gz HTZXTMQXLXVTKL-ZDUSSCGKSA-N 1 0 237.343 2.231 20 10 BECDRO C[C@H]([NH2+]CCCCO)c1cc(Cl)ccc1O ZINC000194216793 357271232 /nfs/dbraw/zinc/27/12/32/357271232.db2.gz DRZYLBDQBKHVIM-VIFPVBQESA-N 1 0 243.734 2.469 20 10 BECDRO CC1(C)[C@@H]([NH2+]Cc2ccccc2O)[C@H]2CCO[C@@H]21 ZINC000134994603 364421777 /nfs/dbraw/zinc/42/17/77/364421777.db2.gz AVXKSXVKZQUNDO-XBFCOCLRSA-N 1 0 247.338 2.295 20 10 BECDRO Nc1ccc(NC(=O)CCCCCC[NH3+])cc1 ZINC000294771041 181375323 /nfs/dbraw/zinc/37/53/23/181375323.db2.gz MSOYALSJGHJJNL-UHFFFAOYSA-N 1 0 235.331 2.117 20 10 BECDRO Oc1ccc(C[NH2+]C2CCCC2)c(O)c1 ZINC000019883382 183268414 /nfs/dbraw/zinc/26/84/14/183268414.db2.gz BFZLKRMJTDJLHF-UHFFFAOYSA-N 1 0 207.273 2.130 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000180501713 183275055 /nfs/dbraw/zinc/27/50/55/183275055.db2.gz GCDYDMAHZQPKGR-JTQLQIEISA-N 1 0 239.290 2.048 20 10 BECDRO Oc1cc2c(cc1C[NH2+]CCC1CC1)OCO2 ZINC000088455111 183260573 /nfs/dbraw/zinc/26/05/73/183260573.db2.gz PYNYFLMXIACVMF-UHFFFAOYSA-N 1 0 235.283 2.011 20 10 BECDRO CCC[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000171603621 169175953 /nfs/dbraw/zinc/17/59/53/169175953.db2.gz NKBYKBWIZZQZKN-UHFFFAOYSA-N 1 0 249.310 2.495 20 10 BECDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCOC1 ZINC000083551890 183292638 /nfs/dbraw/zinc/29/26/38/183292638.db2.gz QWVVXAQYPLUGIH-SECBINFHSA-N 1 0 241.718 2.172 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)CC2 ZINC000296294931 183298956 /nfs/dbraw/zinc/29/89/56/183298956.db2.gz DIRAZGAHBKMXAR-RAIGVLPGSA-N 1 0 247.338 2.130 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000179579604 183301450 /nfs/dbraw/zinc/30/14/50/183301450.db2.gz PUDBPACCXBKMBG-UHFFFAOYSA-N 1 0 233.311 2.147 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000375308563 183302130 /nfs/dbraw/zinc/30/21/30/183302130.db2.gz JBFPSKYYGONZQN-AWEZNQCLSA-N 1 0 233.311 2.147 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000361050125 183302215 /nfs/dbraw/zinc/30/22/15/183302215.db2.gz FUQBVQJKWDANNP-JSGCOSHPSA-N 1 0 247.338 2.251 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H]1CCSC1 ZINC000224479327 183302958 /nfs/dbraw/zinc/30/29/58/183302958.db2.gz YIRIQMKLQCWJAZ-SNVBAGLBSA-N 1 0 223.341 2.235 20 10 BECDRO Oc1ccccc1C[NH2+]CCN1CCCCCC1 ZINC000040767104 183303276 /nfs/dbraw/zinc/30/32/76/183303276.db2.gz CFEVPURBKASNGE-UHFFFAOYSA-N 1 0 248.370 2.358 20 10 BECDRO Oc1ccccc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227339857 183303496 /nfs/dbraw/zinc/30/34/96/183303496.db2.gz VAWBIFHQNNAVOF-CYBMUJFWSA-N 1 0 235.327 2.441 20 10 BECDRO c1cc(C[NH2+]C2CCC2)cc2c1OCC2 ZINC000052208641 183368169 /nfs/dbraw/zinc/36/81/69/183368169.db2.gz ZZOFVLZCYYJKIK-UHFFFAOYSA-N 1 0 203.285 2.264 20 10 BECDRO c1cc(C[NH2+]C[C@@H]2CCCCO2)cc2c1OCC2 ZINC000042817396 183368571 /nfs/dbraw/zinc/36/85/71/183368571.db2.gz KRJAJLKFGDJZNK-AWEZNQCLSA-N 1 0 247.338 2.280 20 10 BECDRO CCC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000226251711 169553790 /nfs/dbraw/zinc/55/37/90/169553790.db2.gz OHZFAXBECXXMIX-HNNXBMFYSA-N 1 0 249.354 2.262 20 10 BECDRO C[N@H+](CCc1ccccn1)Cc1ccccc1O ZINC000111235558 383841917 /nfs/dbraw/zinc/84/19/17/383841917.db2.gz LDLOLWHSQNXUMS-UHFFFAOYSA-N 1 0 242.322 2.462 20 10 BECDRO CCOCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000036228266 383887518 /nfs/dbraw/zinc/88/75/18/383887518.db2.gz LDQUMZUUIPNGSF-LLVKDONJSA-N 1 0 223.316 2.388 20 10 BECDRO CCOCC[NH2+][C@H](CC)c1ccccc1O ZINC000036228768 383891454 /nfs/dbraw/zinc/89/14/54/383891454.db2.gz JSCRYELUYRVLQM-GFCCVEGCSA-N 1 0 223.316 2.469 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000037738771 384003122 /nfs/dbraw/zinc/00/31/22/384003122.db2.gz ZGBAIHALKDLGLC-CHWSQXEVSA-N 1 0 248.370 2.440 20 10 BECDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037238446 383961952 /nfs/dbraw/zinc/96/19/52/383961952.db2.gz OAIJBZRSOKFEEL-AAEUAGOBSA-N 1 0 236.359 2.174 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)c(O)c1 ZINC000037267034 383967151 /nfs/dbraw/zinc/96/71/51/383967151.db2.gz MOZXYDWHKIDEHJ-GFCCVEGCSA-N 1 0 248.370 2.445 20 10 BECDRO CN(C)c1ccc(C[NH2+]Cc2cc[nH]c2)cc1 ZINC000090994284 384088969 /nfs/dbraw/zinc/08/89/69/384088969.db2.gz SNAVMJMTPJLZCF-UHFFFAOYSA-N 1 0 229.327 2.371 20 10 BECDRO CCCC[NH2+]Cc1ccc(OC)cc1O ZINC000040905685 384169917 /nfs/dbraw/zinc/16/99/17/384169917.db2.gz CRPCJNBGNYMZPA-UHFFFAOYSA-N 1 0 209.289 2.291 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCn2ccnc2)c1 ZINC000041119484 384179858 /nfs/dbraw/zinc/17/98/58/384179858.db2.gz BXUBPXYGABALAU-GFCCVEGCSA-N 1 0 245.326 2.248 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCO)c1 ZINC000132491804 384233665 /nfs/dbraw/zinc/23/36/65/384233665.db2.gz NJYIWONJCORPHW-WDEREUQCSA-N 1 0 223.316 2.122 20 10 BECDRO C[N@H+](Cc1c(O)cccc1Cl)[C@H]1CCOC1 ZINC000132773470 384249371 /nfs/dbraw/zinc/24/93/71/384249371.db2.gz OZBPXOUEZROVPA-VIFPVBQESA-N 1 0 241.718 2.266 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1cc(F)ccc1O ZINC000094618207 384306760 /nfs/dbraw/zinc/30/67/60/384306760.db2.gz JCDJZNORIKRTPK-GXSJLCMTSA-N 1 0 239.290 2.361 20 10 BECDRO COC[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618020 384308048 /nfs/dbraw/zinc/30/80/48/384308048.db2.gz DTYRLMUKTXIPSO-NXEZZACHSA-N 1 0 241.306 2.464 20 10 BECDRO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccccc1O ZINC000120073151 384326078 /nfs/dbraw/zinc/32/60/78/384326078.db2.gz IAFNXQMDIQAGPG-UHFFFAOYSA-N 1 0 245.326 2.364 20 10 BECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000135209147 384425959 /nfs/dbraw/zinc/42/59/59/384425959.db2.gz YOGBOOVTTCZLDM-JSGCOSHPSA-N 1 0 248.370 2.267 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CO)c(O)c1C ZINC000134914055 384397184 /nfs/dbraw/zinc/39/71/84/384397184.db2.gz JTHYPPRAYPZDCP-MWLCHTKSSA-N 1 0 223.316 2.040 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000135209130 384426377 /nfs/dbraw/zinc/42/63/77/384426377.db2.gz YOGBOOVTTCZLDM-TZMCWYRMSA-N 1 0 248.370 2.267 20 10 BECDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000122812732 384511124 /nfs/dbraw/zinc/51/11/24/384511124.db2.gz YAZRJMTYSIBOTA-NEPJUHHUSA-N 1 0 236.359 2.174 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](C)CCO)c1ccccc1O ZINC000097439799 384519544 /nfs/dbraw/zinc/51/95/44/384519544.db2.gz CMGLHKWDOIOEOF-WCQYABFASA-N 1 0 237.343 2.451 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CCO)c1 ZINC000097436268 384520790 /nfs/dbraw/zinc/52/07/90/384520790.db2.gz LLYJCXDCVARJDR-NWDGAFQWSA-N 1 0 237.343 2.370 20 10 BECDRO CCCC[NH2+]Cc1cc(OC)ccc1O ZINC000020088141 384574132 /nfs/dbraw/zinc/57/41/32/384574132.db2.gz WRYCPTUUSRDAGD-UHFFFAOYSA-N 1 0 209.289 2.291 20 10 BECDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000081709147 384627462 /nfs/dbraw/zinc/62/74/62/384627462.db2.gz SIGQKMDUYLHTPP-QWRGUYRKSA-N 1 0 223.316 2.468 20 10 BECDRO CC[C@@H]([NH2+][C@@H](CC)CO)c1ccccc1O ZINC000020195457 384593964 /nfs/dbraw/zinc/59/39/64/384593964.db2.gz FYWKMVXDQYQHBO-CMPLNLGQSA-N 1 0 223.316 2.204 20 10 BECDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020196019 384597213 /nfs/dbraw/zinc/59/72/13/384597213.db2.gz KWMQUUMVXOUONX-MNOVXSKESA-N 1 0 223.316 2.122 20 10 BECDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000125493528 384723736 /nfs/dbraw/zinc/72/37/36/384723736.db2.gz DQMGZQBRMOSHNH-HNNXBMFYSA-N 1 0 248.370 2.363 20 10 BECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000126055899 384765058 /nfs/dbraw/zinc/76/50/58/384765058.db2.gz QCGMWZQAACEEOT-HNNXBMFYSA-N 1 0 248.370 2.267 20 10 BECDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccccc1O ZINC000289632295 384955628 /nfs/dbraw/zinc/95/56/28/384955628.db2.gz FGGROONZLBNIIV-SNVBAGLBSA-N 1 0 231.299 2.009 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@H](C)O1 ZINC000294656534 385099299 /nfs/dbraw/zinc/09/92/99/385099299.db2.gz CJEZRRPASUBUGB-TYNCELHUSA-N 1 0 248.370 2.408 20 10 BECDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1C ZINC000129579981 385166673 /nfs/dbraw/zinc/16/66/73/385166673.db2.gz CTQUJXKNJWGVTF-KBPBESRZSA-N 1 0 249.354 2.253 20 10 BECDRO C[N@H+](CCOCC(F)F)Cc1ccccc1O ZINC000189663257 385176764 /nfs/dbraw/zinc/17/67/64/385176764.db2.gz IEEMHOFKLAJOFY-UHFFFAOYSA-N 1 0 245.269 2.106 20 10 BECDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1O ZINC000131487176 385338207 /nfs/dbraw/zinc/33/82/07/385338207.db2.gz PPIWFNPWUHFHMM-YPMHNXCESA-N 1 0 235.327 2.392 20 10 BECDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168712547 385383576 /nfs/dbraw/zinc/38/35/76/385383576.db2.gz HSMKYAOGIJQGGH-UWVGGRQHSA-N 1 0 240.322 2.132 20 10 BECDRO CC/C=C/C[NH2+]Cc1cccc(OC)c1O ZINC000295022136 385384250 /nfs/dbraw/zinc/38/42/50/385384250.db2.gz KRLUSSAMJIWLKH-SNAWJCMRSA-N 1 0 221.300 2.457 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)c(O)c1 ZINC000168777357 385387048 /nfs/dbraw/zinc/38/70/48/385387048.db2.gz QFCAVOKSASDPCA-BXUZGUMPSA-N 1 0 237.343 2.368 20 10 BECDRO C[C@@H]([NH2+]CCF)c1cc(F)ccc1O ZINC000281082289 385394277 /nfs/dbraw/zinc/39/42/77/385394277.db2.gz PEZFFDWCEQDEJI-SSDOTTSWSA-N 1 0 201.216 2.151 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCCCO)c1 ZINC000295088789 385430176 /nfs/dbraw/zinc/43/01/76/385430176.db2.gz RHEBZGQPBNPBLC-GFCCVEGCSA-N 1 0 237.343 2.341 20 10 BECDRO COC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179573837 385474484 /nfs/dbraw/zinc/47/44/84/385474484.db2.gz DTTDDZXKWNCNEE-LBPRGKRZSA-N 1 0 235.327 2.251 20 10 BECDRO CO[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179570645 385474673 /nfs/dbraw/zinc/47/46/73/385474673.db2.gz BNAGLGGBTDPDIQ-GFCCVEGCSA-N 1 0 221.300 2.003 20 10 BECDRO CC[C@](C)(CCO)[NH2+]Cc1cc(F)ccc1O ZINC000180837887 385549922 /nfs/dbraw/zinc/54/99/22/385549922.db2.gz IZIAPHGOQFKLRT-CYBMUJFWSA-N 1 0 241.306 2.172 20 10 BECDRO C[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000282088668 385731736 /nfs/dbraw/zinc/73/17/36/385731736.db2.gz VDBFJEYRSBHTEF-LBPRGKRZSA-N 1 0 248.370 2.098 20 10 BECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](C)O ZINC000282540624 385770452 /nfs/dbraw/zinc/77/04/52/385770452.db2.gz WADMFZDYNTZDJK-LBPRGKRZSA-N 1 0 237.343 2.375 20 10 BECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](C)O ZINC000282540621 385771532 /nfs/dbraw/zinc/77/15/32/385771532.db2.gz WADMFZDYNTZDJK-GFCCVEGCSA-N 1 0 237.343 2.375 20 10 BECDRO CCCC[N@H+](CCO)Cc1cccc(F)c1[O-] ZINC000272338319 385896536 /nfs/dbraw/zinc/89/65/36/385896536.db2.gz YBZNDUWQRJVYHS-UHFFFAOYSA-N 1 0 241.306 2.126 20 10 BECDRO CO[C@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000285164915 385903063 /nfs/dbraw/zinc/90/30/63/385903063.db2.gz PUBCRHYWBMOPMV-GFCCVEGCSA-N 1 0 237.343 2.476 20 10 BECDRO CS[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000294957415 385926638 /nfs/dbraw/zinc/92/66/38/385926638.db2.gz DMZPUIDEPHGIKE-NSHDSACASA-N 1 0 241.331 2.469 20 10 BECDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C)cc1C ZINC000221147386 385979380 /nfs/dbraw/zinc/97/93/80/385979380.db2.gz XFYYOJXYNZVICN-CQSZACIVSA-N 1 0 248.370 2.187 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000219890814 385947233 /nfs/dbraw/zinc/94/72/33/385947233.db2.gz OVYCCUARHWDEED-AAEUAGOBSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000219890886 385947514 /nfs/dbraw/zinc/94/75/14/385947514.db2.gz OVYCCUARHWDEED-YPMHNXCESA-N 1 0 235.327 2.358 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000234884762 386111252 /nfs/dbraw/zinc/11/12/52/386111252.db2.gz LHARBENHAACHOE-VIFPVBQESA-N 1 0 241.718 2.266 20 10 BECDRO CC(C)[N@H+](Cc1ccccc1O)C1COC1 ZINC000295976263 386118122 /nfs/dbraw/zinc/11/81/22/386118122.db2.gz JBSOQYOKJCJQOW-UHFFFAOYSA-N 1 0 221.300 2.001 20 10 BECDRO CC[C@H](COC)[NH2+]Cc1cc(F)ccc1O ZINC000226611300 386343516 /nfs/dbraw/zinc/34/35/16/386343516.db2.gz OIMXXLJPAUNPCZ-LLVKDONJSA-N 1 0 227.279 2.046 20 10 BECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cn[nH]c1 ZINC000226618297 386344054 /nfs/dbraw/zinc/34/40/54/386344054.db2.gz VPILRMLCKJRYLW-MRVPVSSYSA-N 1 0 235.262 2.105 20 10 BECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCOC1 ZINC000226612015 386345824 /nfs/dbraw/zinc/34/58/24/386345824.db2.gz SXSBTLLWVZXFJY-ZJUUUORDSA-N 1 0 239.290 2.046 20 10 BECDRO COC[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000265857860 386378273 /nfs/dbraw/zinc/37/82/73/386378273.db2.gz WOZQYZKZQDMUSO-ZDUSSCGKSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000135215525 386491438 /nfs/dbraw/zinc/49/14/38/386491438.db2.gz BTNHTHVFINDMIB-RYUDHWBXSA-N 1 0 235.327 2.215 20 10 BECDRO C[C@@H](O)CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000228037951 386535725 /nfs/dbraw/zinc/53/57/25/386535725.db2.gz YLYDQAZEGDTDPW-NXEZZACHSA-N 1 0 241.306 2.343 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000228143556 386547942 /nfs/dbraw/zinc/54/79/42/386547942.db2.gz MHDYCQOOTFZYHX-HIFRSBDPSA-N 1 0 247.338 2.454 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000295976148 386705803 /nfs/dbraw/zinc/70/58/03/386705803.db2.gz OJKVPOLRVQSTPS-CORIIIEPSA-N 1 0 248.370 2.317 20 10 BECDRO C[C@]1(O)CCC[N@H+](Cc2ccccc2O)CC1 ZINC000279720418 386727298 /nfs/dbraw/zinc/72/72/98/386727298.db2.gz UPAOZFUYMMEIGJ-AWEZNQCLSA-N 1 0 235.327 2.129 20 10 BECDRO CO[C@@H](C)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000191146301 386765678 /nfs/dbraw/zinc/76/56/78/386765678.db2.gz DKSDHAZGIMIFFT-NSHDSACASA-N 1 0 223.316 2.134 20 10 BECDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000293473914 386823639 /nfs/dbraw/zinc/82/36/39/386823639.db2.gz FDTCEYCBEASIPQ-AWEZNQCLSA-N 1 0 248.370 2.282 20 10 BECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000191694938 387050389 /nfs/dbraw/zinc/05/03/89/387050389.db2.gz SUQNFVOCVMDPEO-IUCAKERBSA-N 1 0 227.279 2.044 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCO)c(O)c1 ZINC000284158169 387150919 /nfs/dbraw/zinc/15/09/19/387150919.db2.gz PRTMZJNCKSRXRZ-LLVKDONJSA-N 1 0 223.316 2.042 20 10 BECDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)C(C)(C)O ZINC000292969187 387337477 /nfs/dbraw/zinc/33/74/77/387337477.db2.gz KCJAARDDBBPWSL-ZDUSSCGKSA-N 1 0 237.343 2.340 20 10 BECDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000362380602 387606513 /nfs/dbraw/zinc/60/65/13/387606513.db2.gz OBDLYAWEQYAIDC-GASCZTMLSA-N 1 0 246.354 2.116 20 10 BECDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccccc1O ZINC000527762510 387700453 /nfs/dbraw/zinc/70/04/53/387700453.db2.gz CZNNSSTYNFPXTL-SMDDNHRTSA-N 1 0 233.311 2.049 20 10 BECDRO Oc1ccccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527741033 387706918 /nfs/dbraw/zinc/70/69/18/387706918.db2.gz WPBFTLDETUYMGN-GFCCVEGCSA-N 1 0 235.327 2.299 20 10 BECDRO CC[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000077111489 387892410 /nfs/dbraw/zinc/89/24/10/387892410.db2.gz ZYLVKXVQLPCCOT-CQSZACIVSA-N 1 0 236.359 2.003 20 10 BECDRO C[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134899021 388480633 /nfs/dbraw/zinc/48/06/33/388480633.db2.gz ISDZZYIPAOPAFZ-SFYZADRCSA-N 1 0 229.707 2.077 20 10 BECDRO COC[C@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295996727 388417089 /nfs/dbraw/zinc/41/70/89/388417089.db2.gz OBXCSYSYYAJWLS-ZYHUDNBSSA-N 1 0 235.327 2.252 20 10 BECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H]1CCOC1 ZINC000297156516 388429044 /nfs/dbraw/zinc/42/90/44/388429044.db2.gz BDEICBLHTXNXHK-UHTWSYAYSA-N 1 0 247.338 2.394 20 10 BECDRO CSCCC[NH2+]Cc1cc(F)ccc1O ZINC000226610982 388723900 /nfs/dbraw/zinc/72/39/00/388723900.db2.gz RTAPSSMZJFJIIV-UHFFFAOYSA-N 1 0 229.320 2.374 20 10 BECDRO CSC[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226610799 388724250 /nfs/dbraw/zinc/72/42/50/388724250.db2.gz MWXHWGJSEBTXRK-QMMMGPOBSA-N 1 0 229.320 2.372 20 10 BECDRO CO[C@@H](C)CC[NH2+]Cc1cc(F)ccc1O ZINC000272522309 389033990 /nfs/dbraw/zinc/03/39/90/389033990.db2.gz YKTRILOPKLIHJR-VIFPVBQESA-N 1 0 227.279 2.046 20 10 BECDRO CCN(C)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618105 169700547 /nfs/dbraw/zinc/70/05/47/169700547.db2.gz WCLDBFAJLCMPBG-JTQLQIEISA-N 1 0 240.322 2.134 20 10 BECDRO Oc1ccccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250079764 135049815 /nfs/dbraw/zinc/04/98/15/135049815.db2.gz IHBLQHDQQIJWLH-AWEZNQCLSA-N 1 0 246.354 2.062 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000367047430 136112141 /nfs/dbraw/zinc/11/21/41/136112141.db2.gz JCEPALIPSQCXHV-OAHLLOKOSA-N 1 0 247.338 2.456 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1O ZINC000038044195 398024988 /nfs/dbraw/zinc/02/49/88/398024988.db2.gz QJMYCKFEFYEEFC-NEPJUHHUSA-N 1 0 235.327 2.469 20 10 BECDRO C[C@@H]([NH2+]Cc1cccnc1N)c1ccccc1O ZINC001648054645 1172794391 /nfs/dbraw/zinc/79/43/91/1172794391.db2.gz YSAMPSPCGPCFPX-SNVBAGLBSA-N 1 0 243.310 2.220 20 10 BECDRO CC(C)Oc1ccc(N(C)CCC[NH3+])cc1 ZINC000020239912 167295516 /nfs/dbraw/zinc/29/55/16/167295516.db2.gz XYDJQFJSZMHFTC-UHFFFAOYSA-N 1 0 222.332 2.259 20 10 BECDRO CC1(C)[C@H]([NH2+]Cc2ccccc2O)[C@@H]2CCO[C@@H]21 ZINC000134994626 168014493 /nfs/dbraw/zinc/01/44/93/168014493.db2.gz AVXKSXVKZQUNDO-YUTCNCBUSA-N 1 0 247.338 2.295 20 10 BECDRO CCOCC[N@H+](C)Cc1cc(C)ccc1O ZINC000132761918 170390729 /nfs/dbraw/zinc/39/07/29/170390729.db2.gz MOFFCHRMXZVQQX-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO CCOCc1cc(C[NH2+]C2CC2)ccc1OC ZINC000050125676 170458515 /nfs/dbraw/zinc/45/85/15/170458515.db2.gz HSHPGFBVGPPLJO-UHFFFAOYSA-N 1 0 235.327 2.484 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000179579916 170899328 /nfs/dbraw/zinc/89/93/28/170899328.db2.gz DWWQRKUAQBFVAE-SMDDNHRTSA-N 1 0 236.359 2.174 20 10 BECDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1O ZINC000131487407 171109747 /nfs/dbraw/zinc/10/97/47/171109747.db2.gz PPIWFNPWUHFHMM-WCQYABFASA-N 1 0 235.327 2.392 20 10 BECDRO CC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000019882188 171342837 /nfs/dbraw/zinc/34/28/37/171342837.db2.gz WMQWTDWBSNRVLH-VIFPVBQESA-N 1 0 209.289 2.289 20 10 BECDRO CC[C@H]([NH2+]CCCO)c1ccc(N(C)C)cc1 ZINC000268713796 171520409 /nfs/dbraw/zinc/52/04/09/171520409.db2.gz LSUYHJAEQNUUMI-AWEZNQCLSA-N 1 0 236.359 2.176 20 10 BECDRO CN(C)c1ccc(C[NH2+]CCOCC2CC2)cc1 ZINC000224532680 172553384 /nfs/dbraw/zinc/55/33/84/172553384.db2.gz LUYZNOLBJSUPMH-UHFFFAOYSA-N 1 0 248.370 2.269 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1 ZINC000129218827 172554251 /nfs/dbraw/zinc/55/42/51/172554251.db2.gz WDIXTOZLEFHAQI-KGLIPLIRSA-N 1 0 248.370 2.002 20 10 BECDRO CN1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296192898 173033827 /nfs/dbraw/zinc/03/38/27/173033827.db2.gz YQTCABPYSXINQR-CHWSQXEVSA-N 1 0 246.354 2.063 20 10 BECDRO COC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000226562020 174028059 /nfs/dbraw/zinc/02/80/59/174028059.db2.gz KWXXRWHKPFXYLO-UHFFFAOYSA-N 1 0 239.290 2.142 20 10 BECDRO COCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296177182 174251263 /nfs/dbraw/zinc/25/12/63/174251263.db2.gz XYPIKCMZGCHXOH-NSHDSACASA-N 1 0 221.300 2.006 20 10 BECDRO COCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000101597330 174384461 /nfs/dbraw/zinc/38/44/61/174384461.db2.gz VURXYPXDVIAWEV-LLVKDONJSA-N 1 0 235.327 2.136 20 10 BECDRO COC[C@H](C)C[NH2+]Cc1c(O)cccc1Cl ZINC000083552215 174532926 /nfs/dbraw/zinc/53/29/26/174532926.db2.gz KXVBTOROGVPNST-SECBINFHSA-N 1 0 243.734 2.418 20 10 BECDRO Oc1cc(Cl)ccc1C[NH2+]CCF ZINC001652337897 1173064580 /nfs/dbraw/zinc/06/45/80/1173064580.db2.gz KPKUNAYKYYQOBQ-UHFFFAOYSA-N 1 0 203.644 2.105 20 10 BECDRO COc1ccc(C[NH2+]C2(CO)CCC2)cc1C ZINC000133140035 175105573 /nfs/dbraw/zinc/10/55/73/175105573.db2.gz KCSBECVFGHVYMJ-UHFFFAOYSA-N 1 0 235.327 2.008 20 10 BECDRO COc1ccc(C[NH2+][C@H](C)CCCO)cc1C ZINC000088503298 175111566 /nfs/dbraw/zinc/11/15/66/175111566.db2.gz SAVHNMTYQCCMMT-GFCCVEGCSA-N 1 0 237.343 2.254 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@H](C)C2CC2)c1 ZINC000035732854 175159017 /nfs/dbraw/zinc/15/90/17/175159017.db2.gz UTMHRCZQCDVISQ-SECBINFHSA-N 1 0 221.300 2.289 20 10 BECDRO COc1ccc(O)c(C[NH2+]CC=C(C)C)c1 ZINC000191615255 175159078 /nfs/dbraw/zinc/15/90/78/175159078.db2.gz VFQVUYLYPSCVPY-UHFFFAOYSA-N 1 0 221.300 2.457 20 10 BECDRO COc1ccc(O)c(C[NH2+]C2CCCC2)c1 ZINC000020086017 175159384 /nfs/dbraw/zinc/15/93/84/175159384.db2.gz AFLBAVKQLRBHCK-UHFFFAOYSA-N 1 0 221.300 2.433 20 10 BECDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C)c1O ZINC000132653196 175259066 /nfs/dbraw/zinc/25/90/66/175259066.db2.gz HDDRHGVTEQDHHB-JTQLQIEISA-N 1 0 221.300 2.385 20 10 BECDRO COc1cccc(C[NH2+]C2CC(F)(F)C2)c1O ZINC000277632983 175263329 /nfs/dbraw/zinc/26/33/29/175263329.db2.gz LCNCXTZOQGAPOM-UHFFFAOYSA-N 1 0 243.253 2.288 20 10 BECDRO COc1cccc(C[NH2+]C2CCC2)c1O ZINC000052207229 175263717 /nfs/dbraw/zinc/26/37/17/175263717.db2.gz DYKDJFXWQHTBKM-UHFFFAOYSA-N 1 0 207.273 2.043 20 10 BECDRO COc1cccc(C[NH2+][C@H]2CC2(C)C)c1O ZINC000045115877 175267474 /nfs/dbraw/zinc/26/74/74/175267474.db2.gz LKJUSRAJCGPJTB-NSHDSACASA-N 1 0 221.300 2.289 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(N(C)C)cc1 ZINC000168641786 175700156 /nfs/dbraw/zinc/70/01/56/175700156.db2.gz LEBJNIQUKKSMFG-QWHCGFSZSA-N 1 0 249.402 2.353 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccccc1O ZINC000071011602 175913762 /nfs/dbraw/zinc/91/37/62/175913762.db2.gz WPKVOXZYNHAIAX-GHMZBOCLSA-N 1 0 221.300 2.222 20 10 BECDRO C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000097987283 176109325 /nfs/dbraw/zinc/10/93/25/176109325.db2.gz YSNKXOYQHQMGRL-SECBINFHSA-N 1 0 235.283 2.105 20 10 BECDRO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000365343992 176189777 /nfs/dbraw/zinc/18/97/77/176189777.db2.gz MVDLFMCOFNOOJY-CYBMUJFWSA-N 1 0 248.370 2.363 20 10 BECDRO C[C@@H]1C[NH+](Cc2ccccc2O)C[C@@H](C)O1 ZINC000028221872 176307912 /nfs/dbraw/zinc/30/79/12/176307912.db2.gz CTGGINCBVRTYPW-GHMZBOCLSA-N 1 0 221.300 2.001 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H]1CCOC1 ZINC000252811089 176913951 /nfs/dbraw/zinc/91/39/51/176913951.db2.gz GLTWUXBGGHVFQA-WOPDTQHZSA-N 1 0 235.327 2.468 20 10 BECDRO CC[C@@H](COC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297573463 490308266 /nfs/dbraw/zinc/30/82/66/490308266.db2.gz GUSKRBSNXONXME-RYUDHWBXSA-N 1 0 235.327 2.394 20 10 BECDRO Cc1ccc([C@H](C)NCC23CC(C2)C[NH2+]3)c(O)c1 ZINC000854226259 588780709 /nfs/dbraw/zinc/78/07/09/588780709.db2.gz GMRDYPVDROSKKO-BZUNDVKYSA-N 1 0 246.354 2.103 20 10 BECDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000854233297 588781627 /nfs/dbraw/zinc/78/16/27/588781627.db2.gz XSDMWDLBCZDENJ-RYUDHWBXSA-N 1 0 235.375 2.011 20 10 BECDRO COc1ccc(C[NH2+]CC(C)C)c(O)c1OC ZINC000892423935 582883703 /nfs/dbraw/zinc/88/37/03/582883703.db2.gz CFWDYIYTVCFHFC-UHFFFAOYSA-N 1 0 239.315 2.155 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000840979791 583214414 /nfs/dbraw/zinc/21/44/14/583214414.db2.gz URXWDUIMWHCAOK-STQMWFEESA-N 1 0 249.354 2.293 20 10 BECDRO COc1cc(C)cc(C[NH+]2CC3(CC3)C2)c1O ZINC000894869703 583538941 /nfs/dbraw/zinc/53/89/41/583538941.db2.gz CPECVWOCMQAYGW-UHFFFAOYSA-N 1 0 233.311 2.305 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCCC[C@H]2CO)c1O ZINC000895151369 583606667 /nfs/dbraw/zinc/60/66/67/583606667.db2.gz TXGLNSOJSKEJRA-AWEZNQCLSA-N 1 0 249.354 2.438 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)=NO2)cc1C ZINC000895312535 583648876 /nfs/dbraw/zinc/64/88/76/583648876.db2.gz XKKIUVZCDOIQSR-ZDUSSCGKSA-N 1 0 248.326 2.258 20 10 BECDRO Cc1ncoc1C[NH2+]Cc1cc(C)ccc1O ZINC000895391486 583664129 /nfs/dbraw/zinc/66/41/29/583664129.db2.gz ADUTULSOLFUIRW-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO Oc1ccccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780158 583728997 /nfs/dbraw/zinc/72/89/97/583728997.db2.gz DCLCYPXXPQLOTE-TXEJJXNPSA-N 1 0 235.352 2.187 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(C)nc2)c1 ZINC000858237272 588940029 /nfs/dbraw/zinc/94/00/29/588940029.db2.gz INQGTZGZDLTICB-UHFFFAOYSA-N 1 0 243.310 2.089 20 10 BECDRO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745540 583992835 /nfs/dbraw/zinc/99/28/35/583992835.db2.gz ZYHVJBYRFRRUFQ-SFYZADRCSA-N 1 0 229.707 2.077 20 10 BECDRO CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841031031 584029160 /nfs/dbraw/zinc/02/91/60/584029160.db2.gz RFNIMYJBRASXKU-LLVKDONJSA-N 1 0 242.750 2.119 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c(O)c1 ZINC000898377435 584113739 /nfs/dbraw/zinc/11/37/39/584113739.db2.gz VABUBLBMUOUCTF-KGLIPLIRSA-N 1 0 247.338 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898380562 584114726 /nfs/dbraw/zinc/11/47/26/584114726.db2.gz QOBOYNLLLWCCGU-ZIAGYGMSSA-N 1 0 247.338 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898380560 584114932 /nfs/dbraw/zinc/11/49/32/584114932.db2.gz QOBOYNLLLWCCGU-KGLIPLIRSA-N 1 0 247.338 2.215 20 10 BECDRO CC(C)C[C@H]([NH3+])CNc1ccc(N)cc1 ZINC000841040773 584116705 /nfs/dbraw/zinc/11/67/05/584116705.db2.gz SIYNLOORDYJLAT-NSHDSACASA-N 1 0 207.321 2.054 20 10 BECDRO CCC[NH2+]CCNCc1ccc(OC)c(C)c1 ZINC000841046827 584124436 /nfs/dbraw/zinc/12/44/36/584124436.db2.gz ONOOOJOLDNVLQS-UHFFFAOYSA-N 1 0 236.359 2.093 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c(O)c1 ZINC000858543871 588964260 /nfs/dbraw/zinc/96/42/60/588964260.db2.gz PEJBZKNHSCQFEX-UPJWGTAASA-N 1 0 249.354 2.431 20 10 BECDRO Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]CC2(C)C)c(O)c1 ZINC000902450546 584606766 /nfs/dbraw/zinc/60/67/66/584606766.db2.gz TWKMSDFXYSGGTL-BXUZGUMPSA-N 1 0 248.370 2.349 20 10 BECDRO CC[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(C)cc1O ZINC000903315924 584749441 /nfs/dbraw/zinc/74/94/41/584749441.db2.gz AFCAURFNBPZJND-TZMCWYRMSA-N 1 0 248.370 2.445 20 10 BECDRO Cc1cc(O)c(CN2C[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000903986558 584835656 /nfs/dbraw/zinc/83/56/56/584835656.db2.gz MBEQSWRHWNRPJC-AWEZNQCLSA-N 1 0 248.370 2.178 20 10 BECDRO C[N@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCOC1 ZINC000730260089 584897273 /nfs/dbraw/zinc/89/72/73/584897273.db2.gz LDYNTYJZIIURJW-CQSZACIVSA-N 1 0 247.338 2.102 20 10 BECDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1C[C@H]1C ZINC000817956827 584991575 /nfs/dbraw/zinc/99/15/75/584991575.db2.gz DPPBMXZSNPZJFG-JTNHKYCSSA-N 1 0 218.344 2.445 20 10 BECDRO Cc1ccc([C@@H](C)NC[C@H]2CCC[NH2+]2)c(O)c1 ZINC000817951451 584992091 /nfs/dbraw/zinc/99/20/91/584992091.db2.gz FVMJWSVXOIDAEW-VXGBXAGGSA-N 1 0 234.343 2.103 20 10 BECDRO CC[NH2+][C@H](C)CN[C@@H](C)c1cc(F)ccc1O ZINC000817971844 584993465 /nfs/dbraw/zinc/99/34/65/584993465.db2.gz HSKRDOBHAAUGQL-ZJUUUORDSA-N 1 0 240.322 2.180 20 10 BECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000839147105 585092503 /nfs/dbraw/zinc/09/25/03/585092503.db2.gz DFJLKNDSZIYMPL-TXEJJXNPSA-N 1 0 239.290 2.188 20 10 BECDRO CN(C)c1ccc(C[NH+]2CC(C(F)F)C2)cc1 ZINC000839137974 585094580 /nfs/dbraw/zinc/09/45/80/585094580.db2.gz KAPBBBSBYDJHQA-UHFFFAOYSA-N 1 0 240.297 2.450 20 10 BECDRO COCC1(C)C[NH+](Cc2cccc(C)c2O)C1 ZINC000839142861 585094944 /nfs/dbraw/zinc/09/49/44/585094944.db2.gz FHZYBDUBAMOPPV-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO Cn1cc(C(C)(C)[NH2+]Cc2ccccc2O)cn1 ZINC000742373389 585125255 /nfs/dbraw/zinc/12/52/55/585125255.db2.gz BBSYHVZXVKLOAA-UHFFFAOYSA-N 1 0 245.326 2.151 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000751942294 585239615 /nfs/dbraw/zinc/23/96/15/585239615.db2.gz VXJNIUZYFVFPOR-CQSZACIVSA-N 1 0 247.338 2.102 20 10 BECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCOCC2)c1 ZINC000754720823 585289845 /nfs/dbraw/zinc/28/98/45/585289845.db2.gz RLCIVYYKHVKIKY-UHFFFAOYSA-N 1 0 235.327 2.231 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000754736788 585290282 /nfs/dbraw/zinc/29/02/82/585290282.db2.gz MATODUQTKXJBBU-CYBMUJFWSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CC2CC2)cc1C ZINC000754833620 585291200 /nfs/dbraw/zinc/29/12/00/585291200.db2.gz KJXPLDXKSNYAMB-CQSZACIVSA-N 1 0 249.354 2.260 20 10 BECDRO C[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756343225 585317818 /nfs/dbraw/zinc/31/78/18/585317818.db2.gz VQRTZBFJSCXPPW-OYNCUSHFSA-N 1 0 239.290 2.050 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]CCCO)c2c1c(F)ccc2O ZINC000756343764 585317950 /nfs/dbraw/zinc/31/79/50/585317950.db2.gz OAZRDTWGBBNGHZ-PSASIEDQSA-N 1 0 239.290 2.052 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC2)c(O)c1C ZINC000756769818 585322847 /nfs/dbraw/zinc/32/28/47/585322847.db2.gz QYFFECQQWGJNQT-NEPJUHHUSA-N 1 0 235.327 2.449 20 10 BECDRO C[N@H+](Cc1cc(Cl)ccc1O)C1CC(O)C1 ZINC000761222511 585412330 /nfs/dbraw/zinc/41/23/30/585412330.db2.gz KCCGKHFTJSZFDY-UHFFFAOYSA-N 1 0 241.718 2.001 20 10 BECDRO Cc1cc(O)c(C[NH2+]Cc2ccn(C)n2)cc1C ZINC000765787775 585492871 /nfs/dbraw/zinc/49/28/71/585492871.db2.gz AWNSJUOXCSUPLV-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO C[N@H+](CCC(=O)C1CC1)Cc1ccccc1O ZINC000767426833 585520102 /nfs/dbraw/zinc/52/01/02/585520102.db2.gz SLCTWICAOYFDRT-UHFFFAOYSA-N 1 0 233.311 2.193 20 10 BECDRO C[N@H+](Cc1cnc(N)s1)Cc1ccccc1O ZINC000768873946 585545124 /nfs/dbraw/zinc/54/51/24/585545124.db2.gz WCMVOIXTKMXQIO-UHFFFAOYSA-N 1 0 249.339 2.063 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(C2CC2)C1 ZINC000770511092 585575236 /nfs/dbraw/zinc/57/52/36/585575236.db2.gz ZRXBOZGMEZKHHU-AWEZNQCLSA-N 1 0 246.354 2.061 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCOC2)cc1 ZINC000771529732 585595710 /nfs/dbraw/zinc/59/57/10/585595710.db2.gz YKYHYRBWFQXIOI-HNNXBMFYSA-N 1 0 248.370 2.363 20 10 BECDRO CCN(C)c1ccc(C[N@H+](C)CCOC)cc1 ZINC000773745848 585643081 /nfs/dbraw/zinc/64/30/81/585643081.db2.gz GOGPJHVXAHXBRE-UHFFFAOYSA-N 1 0 236.359 2.221 20 10 BECDRO Cc1cccc(C[N@H+](CCCO)C2CC2)c1O ZINC000775700644 585683530 /nfs/dbraw/zinc/68/35/30/585683530.db2.gz GYSQTJPGMDOGEX-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc[nH]2)c1 ZINC000775734485 585683830 /nfs/dbraw/zinc/68/38/30/585683830.db2.gz QXMZHTQBRGFQMP-UHFFFAOYSA-N 1 0 246.310 2.361 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c1O ZINC000775987358 585688743 /nfs/dbraw/zinc/68/87/43/585688743.db2.gz VLONYJHUMXWEMV-QWHCGFSZSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000775985170 585688947 /nfs/dbraw/zinc/68/89/47/585688947.db2.gz KJLNUJKFEFWKSP-OLZOCXBDSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000775985171 585689014 /nfs/dbraw/zinc/68/90/14/585689014.db2.gz KJLNUJKFEFWKSP-QWHCGFSZSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000779202656 585747295 /nfs/dbraw/zinc/74/72/95/585747295.db2.gz RWCRBQZNWFSODB-ZDUSSCGKSA-N 1 0 235.327 2.047 20 10 BECDRO CC[C@@]1(O)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000779220088 585747547 /nfs/dbraw/zinc/74/75/47/585747547.db2.gz WQDAGQDRBRXILP-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC=CO1 ZINC000780565565 585781397 /nfs/dbraw/zinc/78/13/97/585781397.db2.gz AOOWBGCCUKRTFD-NSHDSACASA-N 1 0 249.310 2.183 20 10 BECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC=CO1 ZINC000780565564 585781428 /nfs/dbraw/zinc/78/14/28/585781428.db2.gz AOOWBGCCUKRTFD-LLVKDONJSA-N 1 0 249.310 2.183 20 10 BECDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)ncn1 ZINC000783526755 585836130 /nfs/dbraw/zinc/83/61/30/585836130.db2.gz YXUVICRJRGZEKU-NSHDSACASA-N 1 0 243.310 2.341 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000783599045 585837632 /nfs/dbraw/zinc/83/76/32/585837632.db2.gz HXRIJAACJQEWEC-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H](C)[C@H](C)O1 ZINC000783738508 585841545 /nfs/dbraw/zinc/84/15/45/585841545.db2.gz WPPUDUOEXWEWPO-UTUOFQBUSA-N 1 0 235.327 2.390 20 10 BECDRO C[N@H+](Cc1ccccc1O)CC1(F)CC1 ZINC000792787999 586005274 /nfs/dbraw/zinc/00/52/74/586005274.db2.gz MDTPIZYBEWZOJY-UHFFFAOYSA-N 1 0 209.264 2.326 20 10 BECDRO CO[C@@H](C)C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000795749740 586091727 /nfs/dbraw/zinc/09/17/27/586091727.db2.gz IBSNQFFVOPWYRA-NSHDSACASA-N 1 0 249.354 2.348 20 10 BECDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000796496451 586105161 /nfs/dbraw/zinc/10/51/61/586105161.db2.gz AKVGTNQZDNATDA-NWDGAFQWSA-N 1 0 235.327 2.154 20 10 BECDRO CC(C)(CO)[C@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000811518067 586560334 /nfs/dbraw/zinc/56/03/34/586560334.db2.gz FSZWVVQCUMJSCV-CQSZACIVSA-N 1 0 249.354 2.279 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(C)C2)c(O)c1 ZINC000815576340 586688041 /nfs/dbraw/zinc/68/80/41/586688041.db2.gz OPPWEODVHOIXRY-QWHCGFSZSA-N 1 0 248.370 2.364 20 10 BECDRO OCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816528696 586739290 /nfs/dbraw/zinc/73/92/90/586739290.db2.gz OGRJGVGQXMWEGQ-UHFFFAOYSA-N 1 0 231.295 2.017 20 10 BECDRO C[C@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816558832 586740639 /nfs/dbraw/zinc/74/06/39/586740639.db2.gz MSEXYFHKIGDDDN-JTQLQIEISA-N 1 0 231.295 2.016 20 10 BECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@@H]1C ZINC000816647260 586748922 /nfs/dbraw/zinc/74/89/22/586748922.db2.gz QEBWYIIJBDHMDV-RKDXNWHRSA-N 1 0 209.264 2.372 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816648722 586751937 /nfs/dbraw/zinc/75/19/37/586751937.db2.gz OAZCILCFXPCRTH-ZJUUUORDSA-N 1 0 221.300 2.241 20 10 BECDRO Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C2)c(O)c1C ZINC000817945067 586845904 /nfs/dbraw/zinc/84/59/04/586845904.db2.gz SOTOMYCSUDHLHN-VXGBXAGGSA-N 1 0 234.343 2.022 20 10 BECDRO CC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944854 586846031 /nfs/dbraw/zinc/84/60/31/586846031.db2.gz NRPKCZUYIAWQEH-UKRRQHHQSA-N 1 0 247.386 2.155 20 10 BECDRO CC[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817943141 586846066 /nfs/dbraw/zinc/84/60/66/586846066.db2.gz JCWHPJXPYQNHIV-SNVBAGLBSA-N 1 0 240.322 2.182 20 10 BECDRO CCN(C)c1ccc([C@@H](C)N[C@@H]2CC[NH2+]C2)cc1 ZINC000817944834 586846240 /nfs/dbraw/zinc/84/62/40/586846240.db2.gz NIOKQTMCNMVCLL-TZMCWYRMSA-N 1 0 247.386 2.155 20 10 BECDRO CC[NH2+]CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000817951198 586847509 /nfs/dbraw/zinc/84/75/09/586847509.db2.gz BELDFDKXRPLYII-GFCCVEGCSA-N 1 0 235.375 2.013 20 10 BECDRO C[NH2+]CCN[C@@H](C)c1ccc2ccccc2c1O ZINC000817951644 586847821 /nfs/dbraw/zinc/84/78/21/586847821.db2.gz IMAOTHAURNDWTH-NSHDSACASA-N 1 0 244.338 2.415 20 10 BECDRO CC[NH2+]CCN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000817951778 586848127 /nfs/dbraw/zinc/84/81/27/586848127.db2.gz JWWDQFHGXWEKGU-HNNXBMFYSA-N 1 0 249.402 2.403 20 10 BECDRO CC[C@H](NCC[NH2+]C)c1ccc(N(C)C)cc1 ZINC000817954195 586848711 /nfs/dbraw/zinc/84/87/11/586848711.db2.gz XFTPEJAGNWOIHA-AWEZNQCLSA-N 1 0 235.375 2.013 20 10 BECDRO CC[NH2+]CCN[C@H](C)c1cc(Cl)ccc1O ZINC000817953271 586849019 /nfs/dbraw/zinc/84/90/19/586849019.db2.gz YFWWRKIXNHWRKA-SECBINFHSA-N 1 0 242.750 2.306 20 10 BECDRO Cc1ccc([C@H](C)NCC[NH2+]C2CC2)c(O)c1 ZINC000817953562 586849112 /nfs/dbraw/zinc/84/91/12/586849112.db2.gz OGTJBWKBRVZBND-NSHDSACASA-N 1 0 234.343 2.103 20 10 BECDRO CC[C@H]([NH2+]CCNC1CC1)c1ccc(C)cc1O ZINC000817953988 586849415 /nfs/dbraw/zinc/84/94/15/586849415.db2.gz UNTYZYBUHLIJJS-AWEZNQCLSA-N 1 0 248.370 2.493 20 10 BECDRO C[C@H](NCC[NH2+]C1CC1)c1ccc(N(C)C)cc1 ZINC000817954578 586849815 /nfs/dbraw/zinc/84/98/15/586849815.db2.gz ZEURHTDRJYYVHX-LBPRGKRZSA-N 1 0 247.386 2.155 20 10 BECDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCOC1 ZINC000817955882 586849913 /nfs/dbraw/zinc/84/99/13/586849913.db2.gz KCWNNAONAVAQKQ-ZFWWWQNUSA-N 1 0 248.370 2.216 20 10 BECDRO Cc1cc(C)c([C@H](C)NCC[NH2+]C2CC2)c(O)c1 ZINC000817954456 586850142 /nfs/dbraw/zinc/85/01/42/586850142.db2.gz YADJBZWIKGCVIW-LBPRGKRZSA-N 1 0 248.370 2.412 20 10 BECDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)no1 ZINC000817956678 586850648 /nfs/dbraw/zinc/85/06/48/586850648.db2.gz ALZATLXPSRJCFD-NSHDSACASA-N 1 0 245.326 2.459 20 10 BECDRO CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817958797 586851144 /nfs/dbraw/zinc/85/11/44/586851144.db2.gz MOSQDZNMHZCKBO-BXKDBHETSA-N 1 0 240.322 2.165 20 10 BECDRO CCCC[C@@H](CN)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817963887 586854086 /nfs/dbraw/zinc/85/40/86/586854086.db2.gz XNMQCONJVLSRLQ-QWHCGFSZSA-N 1 0 248.370 2.487 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccccc1O ZINC000817968788 586856131 /nfs/dbraw/zinc/85/61/31/586856131.db2.gz MQYOMPQVVGRZBO-KWCYVHTRSA-N 1 0 248.370 2.431 20 10 BECDRO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccccc1O ZINC000817967836 586856356 /nfs/dbraw/zinc/85/63/56/586856356.db2.gz MLBAJMPNWKQSPA-GMXVVIOVSA-N 1 0 234.343 2.041 20 10 BECDRO CCN(C)c1ccc([C@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000817970985 586857319 /nfs/dbraw/zinc/85/73/19/586857319.db2.gz IWTRAHJWUNQALD-NEPJUHHUSA-N 1 0 235.375 2.141 20 10 BECDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccccc1O ZINC000817972915 586859000 /nfs/dbraw/zinc/85/90/00/586859000.db2.gz PPNOEVRHRLVQNU-GHMZBOCLSA-N 1 0 222.332 2.041 20 10 BECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000818231932 586880580 /nfs/dbraw/zinc/88/05/80/586880580.db2.gz XJWFHUMUHGARKB-HUUCEWRRSA-N 1 0 248.370 2.146 20 10 BECDRO COc1cc(O)c(C[NH2+][C@H]2CC23CC3)cc1OC ZINC000822497426 587171697 /nfs/dbraw/zinc/17/16/97/587171697.db2.gz DEIROYZADQOFTK-ZDUSSCGKSA-N 1 0 249.310 2.052 20 10 BECDRO Oc1ccccc1C[NH+]1CC(CC(F)F)C1 ZINC000822521256 587173419 /nfs/dbraw/zinc/17/34/19/587173419.db2.gz ZLRAGRIKSXNAPQ-UHFFFAOYSA-N 1 0 227.254 2.479 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000824571910 587277228 /nfs/dbraw/zinc/27/72/28/587277228.db2.gz QVBIXBFWMIMYAI-GFCCVEGCSA-N 1 0 222.307 2.296 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)CO)cc1Cl ZINC000825922246 587345656 /nfs/dbraw/zinc/34/56/56/587345656.db2.gz MSKYQHZFBSNJJA-SECBINFHSA-N 1 0 243.734 2.167 20 10 BECDRO CO[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000827073066 587369532 /nfs/dbraw/zinc/36/95/32/587369532.db2.gz OYHOAMIUGWAQSS-LBPRGKRZSA-N 1 0 236.359 2.186 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1O ZINC000827282443 587375078 /nfs/dbraw/zinc/37/50/78/587375078.db2.gz MJHFVTPGBCOGSZ-ZFWWWQNUSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1 ZINC000827285249 587375198 /nfs/dbraw/zinc/37/51/98/587375198.db2.gz YZAQCAOSWVFUNR-ZFWWWQNUSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1O ZINC000827365112 587378738 /nfs/dbraw/zinc/37/87/38/587378738.db2.gz KAJITAOHSMJPOD-CHWSQXEVSA-N 1 0 247.338 2.094 20 10 BECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000827489074 587382747 /nfs/dbraw/zinc/38/27/47/587382747.db2.gz NCYGIQSSJGVHND-PTEHBNRSSA-N 1 0 221.275 2.419 20 10 BECDRO C[C@H](O)C1([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000827579760 587389711 /nfs/dbraw/zinc/38/97/11/587389711.db2.gz JPXFCAMNNXOLLQ-QMMMGPOBSA-N 1 0 241.718 2.049 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1([C@H](C)O)CC1 ZINC000827585339 587390728 /nfs/dbraw/zinc/39/07/28/587390728.db2.gz GCSAWTBJIQSNMQ-LBPRGKRZSA-N 1 0 248.370 2.064 20 10 BECDRO Cc1cccc(C[NH2+][C@H](C)c2nccn2C)c1O ZINC000827722735 587399203 /nfs/dbraw/zinc/39/92/03/587399203.db2.gz SWKOKEJCRMCELF-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO C[N@H+](Cc1cccc(Cl)c1[O-])C1(CO)CC1 ZINC000827903229 587408723 /nfs/dbraw/zinc/40/87/23/587408723.db2.gz GMUPJPYCJIEDKI-UHFFFAOYSA-N 1 0 241.718 2.002 20 10 BECDRO CCn1nccc1C[NH2+]Cc1cccc(C)c1O ZINC000827958132 587413552 /nfs/dbraw/zinc/41/35/52/587413552.db2.gz YLLQYGDAYYYCQZ-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO CN(C)c1ccc(/C=C/C[NH2+]C(C)(C)CO)cc1 ZINC000835043817 587779264 /nfs/dbraw/zinc/77/92/64/587779264.db2.gz ZNPKIPGAPSTLKB-AATRIKPKSA-N 1 0 248.370 2.126 20 10 BECDRO C[C@H](CCO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040097 587779319 /nfs/dbraw/zinc/77/93/19/587779319.db2.gz OBTHQISTUHAHPN-DSYXLKISSA-N 1 0 248.370 2.126 20 10 BECDRO C[C@@H](CO)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835053909 587779508 /nfs/dbraw/zinc/77/95/08/587779508.db2.gz QDZJIGZYAQCPCM-GFUIURDCSA-N 1 0 248.370 2.078 20 10 BECDRO Cc1cc(N(C)C)ccc1CNc1[nH+]ccn1C ZINC000840887988 587927992 /nfs/dbraw/zinc/92/79/92/587927992.db2.gz SNVJIYIYXIAVPO-UHFFFAOYSA-N 1 0 244.342 2.407 20 10 BECDRO Cc1cc(N(C)C)ccc1CN(C)CC[NH+](C)C ZINC000840947095 587931309 /nfs/dbraw/zinc/93/13/09/587931309.db2.gz ZWYQJTJWGNDEIH-UHFFFAOYSA-N 1 0 249.402 2.054 20 10 BECDRO CC(C)C[C@@H]([NH3+])CN(C)Cc1ccccc1O ZINC000841006747 587934967 /nfs/dbraw/zinc/93/49/67/587934967.db2.gz HGOJPOYBFSHGPO-CYBMUJFWSA-N 1 0 236.359 2.197 20 10 BECDRO CCCC[C@H](C[NH3+])NCc1ccc2c(c1)CCO2 ZINC000841028587 587936349 /nfs/dbraw/zinc/93/63/49/587936349.db2.gz FEMXSBOSTNBXAM-CQSZACIVSA-N 1 0 248.370 2.229 20 10 BECDRO CCC([NH3+])(CC)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841029825 587936602 /nfs/dbraw/zinc/93/66/02/587936602.db2.gz BDUVBVLZTWWYER-UHFFFAOYSA-N 1 0 240.322 2.138 20 10 BECDRO CCCC[C@@H](CN)[NH2+]Cc1cc(C)ccc1O ZINC000841029015 587936744 /nfs/dbraw/zinc/93/67/44/587936744.db2.gz LEYTUQWPKVSEOV-ZDUSSCGKSA-N 1 0 236.359 2.308 20 10 BECDRO Cc1ccc(C[NH2+]CCc2ccc(N)cc2)cn1 ZINC000841035335 587937195 /nfs/dbraw/zinc/93/71/95/587937195.db2.gz MUFSXFOCVMIRLO-UHFFFAOYSA-N 1 0 241.338 2.305 20 10 BECDRO CC(C)C[C@H](CN)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841039070 587938439 /nfs/dbraw/zinc/93/84/39/587938439.db2.gz ZFEZPMZYSBYMNA-CQSZACIVSA-N 1 0 249.402 2.216 20 10 BECDRO CC1CC([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841046323 587939161 /nfs/dbraw/zinc/93/91/61/587939161.db2.gz ZTVCBUDVESPREK-ABIUDSBCSA-N 1 0 247.386 2.141 20 10 BECDRO C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841049655 587939975 /nfs/dbraw/zinc/93/99/75/587939975.db2.gz GJQCZRZBJSZWHJ-ZETCQYMHSA-N 1 0 246.713 2.012 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](CN)C(C)(C)C)c1O ZINC000841086710 587945437 /nfs/dbraw/zinc/94/54/37/587945437.db2.gz DUCQUHWERHCQAX-LBPRGKRZSA-N 1 0 236.359 2.164 20 10 BECDRO C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745219 587973765 /nfs/dbraw/zinc/97/37/65/587973765.db2.gz OBBJSHYXIODPHX-SFYZADRCSA-N 1 0 229.707 2.077 20 10 BECDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000841752569 587973825 /nfs/dbraw/zinc/97/38/25/587973825.db2.gz BNPVMFZVTHOOED-QNSHHTMESA-N 1 0 241.718 2.220 20 10 BECDRO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000841891128 587981959 /nfs/dbraw/zinc/98/19/59/587981959.db2.gz JEIFEEWGLRJQGA-KLPPZKSPSA-N 1 0 241.718 2.049 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC2(N(C)C)CC2)cc1C ZINC000841890211 587982082 /nfs/dbraw/zinc/98/20/82/587982082.db2.gz MAZXLZCBTBWGMB-UHFFFAOYSA-N 1 0 248.370 2.193 20 10 BECDRO COCC1(CC[NH2+]Cc2ccccc2O)CC1 ZINC000842728887 588056543 /nfs/dbraw/zinc/05/65/43/588056543.db2.gz KLKIVDORFRWYEG-UHFFFAOYSA-N 1 0 235.327 2.299 20 10 BECDRO Cc1cc(O)c(CN(C)CCC[NH3+])c(Cl)c1 ZINC000843050501 588076524 /nfs/dbraw/zinc/07/65/24/588076524.db2.gz LSBPRPYUAJJGJA-UHFFFAOYSA-N 1 0 242.750 2.135 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CN)c1O ZINC000843052398 588076991 /nfs/dbraw/zinc/07/69/91/588076991.db2.gz SOEKPJDVWZKLTO-BXUZGUMPSA-N 1 0 248.370 2.260 20 10 BECDRO CCCN(Cc1cccc(C)c1O)[C@@H]1CC[NH2+]C1 ZINC000843051689 588077188 /nfs/dbraw/zinc/07/71/88/588077188.db2.gz CAVZXMYKNUPOKD-CQSZACIVSA-N 1 0 248.370 2.275 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846109215 588256934 /nfs/dbraw/zinc/25/69/34/588256934.db2.gz COMJYGIZVPRTBV-AOOOYVTPSA-N 1 0 243.228 2.228 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846110585 588257029 /nfs/dbraw/zinc/25/70/29/588257029.db2.gz HSTREBTWGZZZHK-PHIMTYICSA-N 1 0 239.265 2.398 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CCF)c(O)c1 ZINC000846209428 588260189 /nfs/dbraw/zinc/26/01/89/588260189.db2.gz QRXRFNPDEYNIRI-WDEREUQCSA-N 1 0 241.306 2.072 20 10 BECDRO CCc1cccc(C[N@H+](C)CC[C@H](C)O)c1O ZINC000848886865 588417319 /nfs/dbraw/zinc/41/73/19/588417319.db2.gz JPVSGDJGHBXDSY-NSHDSACASA-N 1 0 237.343 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)c1O ZINC000848891465 588418140 /nfs/dbraw/zinc/41/81/40/588418140.db2.gz YPFYFBSFSRJPNR-JSGCOSHPSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@H+](C)CC2CC(O)C2)c1O ZINC000848904907 588418386 /nfs/dbraw/zinc/41/83/86/588418386.db2.gz DAOCJVXYJWTWMZ-UHFFFAOYSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000848902073 588418685 /nfs/dbraw/zinc/41/86/85/588418685.db2.gz JJWYVDBZCRCJIK-YPMHNXCESA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[NH2+][C@@](C)(CO)C2CC2)c1O ZINC000848900837 588418923 /nfs/dbraw/zinc/41/89/23/588418923.db2.gz KYJULILYLSNCKA-HNNXBMFYSA-N 1 0 249.354 2.205 20 10 BECDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](C)OC)c1O ZINC000848912291 588420350 /nfs/dbraw/zinc/42/03/50/588420350.db2.gz DHBDDJUVNGMVKH-GHMZBOCLSA-N 1 0 237.343 2.468 20 10 BECDRO Cc1ccncc1CC[NH2+]Cc1ccccc1O ZINC000850355689 588538615 /nfs/dbraw/zinc/53/86/15/588538615.db2.gz LZAVXFPQSSGNQJ-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2nccn2C)c1 ZINC000850410437 588544584 /nfs/dbraw/zinc/54/45/84/588544584.db2.gz UFTKVQVOAQQMNS-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Oc1ccccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000850430378 588545995 /nfs/dbraw/zinc/54/59/95/588545995.db2.gz OXHFVECXJMEPJM-LBPRGKRZSA-N 1 0 243.310 2.213 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+]C/C=C/CO)cc1 ZINC000850506936 588553604 /nfs/dbraw/zinc/55/36/04/588553604.db2.gz CRQGKVCAQIKKSI-GFUIURDCSA-N 1 0 248.370 2.342 20 10 BECDRO CC[C@H]([NH2+]Cc1cn(C)cn1)c1ccccc1O ZINC000851902474 588641947 /nfs/dbraw/zinc/64/19/47/588641947.db2.gz MQCYPYKNLKZDPF-ZDUSSCGKSA-N 1 0 245.326 2.367 20 10 BECDRO CC[C@@H]([NH2+]Cc1cn(C)cn1)c1ccccc1O ZINC000851902472 588642050 /nfs/dbraw/zinc/64/20/50/588642050.db2.gz MQCYPYKNLKZDPF-CYBMUJFWSA-N 1 0 245.326 2.367 20 10 BECDRO Cc1ccc(N(C)C(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852808033 588704816 /nfs/dbraw/zinc/70/48/16/588704816.db2.gz HTSCNPSDQUCJCL-UHFFFAOYSA-N 1 0 244.338 2.268 20 10 BECDRO CC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862215531 589194595 /nfs/dbraw/zinc/19/45/95/589194595.db2.gz KYKIFVUOUFPKFJ-UHFFFAOYSA-N 1 0 228.286 2.483 20 10 BECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(C)cc1O ZINC000863543329 589297007 /nfs/dbraw/zinc/29/70/07/589297007.db2.gz MLMOGXSCFQYVMV-KWCYVHTRSA-N 1 0 248.370 2.492 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(O)c1 ZINC000863544939 589297832 /nfs/dbraw/zinc/29/78/32/589297832.db2.gz FMYSYDVWMDTUPA-FRRDWIJNSA-N 1 0 248.370 2.492 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863547681 589298487 /nfs/dbraw/zinc/29/84/87/589298487.db2.gz VBCLLZRURHRYCW-GMXVVIOVSA-N 1 0 234.343 2.102 20 10 BECDRO Cc1cc(C)c([C@H](C)N[C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000863547217 589298587 /nfs/dbraw/zinc/29/85/87/589298587.db2.gz PPPAIUSUZMIQGN-RWMBFGLXSA-N 1 0 248.370 2.410 20 10 BECDRO COC(=O)CC1(C[N@H+](C)c2ccc(N)cc2)CC1 ZINC000863558548 589299176 /nfs/dbraw/zinc/29/91/76/589299176.db2.gz MTSZSVSEUPQODV-UHFFFAOYSA-N 1 0 248.326 2.048 20 10 BECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](C)CO ZINC000121093634 589498637 /nfs/dbraw/zinc/49/86/37/589498637.db2.gz KRZWXTYFTPUQPZ-GFCCVEGCSA-N 1 0 237.343 2.233 20 10 BECDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000124407418 589988345 /nfs/dbraw/zinc/98/83/45/589988345.db2.gz YQRXXPIYHDVILL-BXUZGUMPSA-N 1 0 236.359 2.174 20 10 BECDRO COC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019904836 590040785 /nfs/dbraw/zinc/04/07/85/590040785.db2.gz KCAXRGHWDRRXJE-VHSXEESVSA-N 1 0 239.315 2.086 20 10 BECDRO CC[C@@H]([NH2+][C@H](C)COC)c1ccccc1O ZINC000019904909 590040953 /nfs/dbraw/zinc/04/09/53/590040953.db2.gz IBSWDDRGFXXXIS-ZYHUDNBSSA-N 1 0 223.316 2.468 20 10 BECDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020087569 590072003 /nfs/dbraw/zinc/07/20/03/590072003.db2.gz QWPWURZKIMWJEA-WDEREUQCSA-N 1 0 223.316 2.386 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@]2(C)CCCO2)c1O ZINC000124857576 590094287 /nfs/dbraw/zinc/09/42/87/590094287.db2.gz GSOXQOKUCRWUAO-CQSZACIVSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCOC(C)(C)C1 ZINC000876613048 590221874 /nfs/dbraw/zinc/22/18/74/590221874.db2.gz GWOQXSXSDQJVGA-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876617951 590222358 /nfs/dbraw/zinc/22/23/58/590222358.db2.gz XVGIUJDJNOBDOW-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO COCCC[N@H+](C)Cc1ccc(C)cc1O ZINC000876646230 590225838 /nfs/dbraw/zinc/22/58/38/590225838.db2.gz UPGDYEJMPUIGOG-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO Cc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)c(O)c1 ZINC000876679403 590229518 /nfs/dbraw/zinc/22/95/18/590229518.db2.gz GHLQCVAJHCGPNX-GFCCVEGCSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000876758486 590239169 /nfs/dbraw/zinc/23/91/69/590239169.db2.gz GSNXPUHGIJVIFD-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c(O)c1 ZINC000876760512 590239173 /nfs/dbraw/zinc/23/91/73/590239173.db2.gz SNLICNRGTLJDNX-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[NH2+]CC(C)(C)N(C)C)c(O)c1 ZINC000876889664 590254139 /nfs/dbraw/zinc/25/41/39/590254139.db2.gz QBDIXVSFHIVFDL-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO CN(C)c1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000876906235 590255950 /nfs/dbraw/zinc/25/59/50/590255950.db2.gz UKTZJZFDXNDFPR-OAHLLOKOSA-N 1 0 248.370 2.411 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCCn1cccn1 ZINC000876920368 590257530 /nfs/dbraw/zinc/25/75/30/590257530.db2.gz OZCOELOSMGVHDE-UHFFFAOYSA-N 1 0 245.326 2.077 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)c(O)c1 ZINC000876931184 590258124 /nfs/dbraw/zinc/25/81/24/590258124.db2.gz KTMUGMVBDKACRR-JQWIXIFHSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H]2CCCOC2)c(O)c1 ZINC000876957311 590260920 /nfs/dbraw/zinc/26/09/20/590260920.db2.gz XGRTULZYYQNSSG-LBPRGKRZSA-N 1 0 235.327 2.217 20 10 BECDRO COC[C@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC000876986771 590264998 /nfs/dbraw/zinc/26/49/98/590264998.db2.gz KQSWEXFIRWLBDA-LLVKDONJSA-N 1 0 223.316 2.073 20 10 BECDRO COCC[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000876994590 590266630 /nfs/dbraw/zinc/26/66/30/590266630.db2.gz KMTLZYZOYDGSIM-LLVKDONJSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC1(O)CCCCC1 ZINC000876997643 590267012 /nfs/dbraw/zinc/26/70/12/590267012.db2.gz CPPKKJFFOMVWTQ-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO Cc1ccc(C[NH2+]CC2(O)CCCCC2)c(O)c1 ZINC000876998514 590267374 /nfs/dbraw/zinc/26/73/74/590267374.db2.gz ODHDFESYTAJEMJ-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO COCC(C)(C)[NH2+]Cc1ccc(C)cc1O ZINC000877003149 590268047 /nfs/dbraw/zinc/26/80/47/590268047.db2.gz MVAYPJKXZGQTLV-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(C)cc1O ZINC000877024543 590270327 /nfs/dbraw/zinc/27/03/27/590270327.db2.gz HELYFAVZZDRHOS-RISCZKNCSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@](C)(O)C(C)C ZINC000877044447 590273798 /nfs/dbraw/zinc/27/37/98/590273798.db2.gz WZJGOGBOCJABLR-AWEZNQCLSA-N 1 0 237.343 2.197 20 10 BECDRO CO[C@@H](C[NH2+]Cc1c(C)cccc1O)C(C)C ZINC000877067465 590276716 /nfs/dbraw/zinc/27/67/16/590276716.db2.gz HWWVWYASQARGMG-AWEZNQCLSA-N 1 0 237.343 2.461 20 10 BECDRO COC(C)(C)C[NH2+]Cc1c(C)cccc1O ZINC000877067876 590277234 /nfs/dbraw/zinc/27/72/34/590277234.db2.gz NLJBWLVYYUVAGY-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc(C[NH2+]CCOC2CCC2)c(O)c1 ZINC000877071416 590277504 /nfs/dbraw/zinc/27/75/04/590277504.db2.gz NJQRYQLFLYPDFZ-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCCO2)c(O)c1 ZINC000877103829 590284185 /nfs/dbraw/zinc/28/41/85/590284185.db2.gz SQOZBIQCKFMUEC-CQSZACIVSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)c(O)c1 ZINC000877119806 590288976 /nfs/dbraw/zinc/28/89/76/590288976.db2.gz ADZDVNNVVHLZQO-JOCQHMNTSA-N 1 0 235.327 2.094 20 10 BECDRO Cc1ccc(C[NH2+]CCC[C@@H](C)CO)c(O)c1 ZINC000877127239 590289984 /nfs/dbraw/zinc/28/99/84/590289984.db2.gz BZLXSIWGGSGWOC-GFCCVEGCSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCN1CCC[C@H]1C ZINC000877154021 590293427 /nfs/dbraw/zinc/29/34/27/590293427.db2.gz LVAQDBGBNYFBFG-CYBMUJFWSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1ccc(CN(C)Cc2nccn2C)c(O)c1 ZINC000877169406 590295902 /nfs/dbraw/zinc/29/59/02/590295902.db2.gz OLCBBNNBXVQTSU-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCOC(C)C ZINC000877334689 590317775 /nfs/dbraw/zinc/31/77/75/590317775.db2.gz CQTIEVGYEJIGSV-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC1(CO)CCCC1 ZINC000877406605 590323653 /nfs/dbraw/zinc/32/36/53/590323653.db2.gz YUJWUNVLHUZCJC-UHFFFAOYSA-N 1 0 249.354 2.343 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c(O)c1 ZINC000877442709 590328750 /nfs/dbraw/zinc/32/87/50/590328750.db2.gz UMGOPILYNAPGOH-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+]CCCOC(F)F)c(O)c1 ZINC000877503653 590342904 /nfs/dbraw/zinc/34/29/04/590342904.db2.gz SMTBCZIGRSYCRO-UHFFFAOYSA-N 1 0 245.269 2.420 20 10 BECDRO Cc1cc(C[NH2+]Cc2ccc(C)cc2O)n(C)n1 ZINC000877508573 590342935 /nfs/dbraw/zinc/34/29/35/590342935.db2.gz ZXYVFSBCSSUVKJ-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000877520207 590346004 /nfs/dbraw/zinc/34/60/04/590346004.db2.gz PWYWILQXIWKAQZ-QWHCGFSZSA-N 1 0 249.354 2.463 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c(O)c1 ZINC000877518737 590346177 /nfs/dbraw/zinc/34/61/77/590346177.db2.gz GGLNBTCBZXHSHI-QWHCGFSZSA-N 1 0 249.354 2.463 20 10 BECDRO CO[C@H](C)C[N@H+](C)Cc1ccc(C)cc1O ZINC000877522823 590347308 /nfs/dbraw/zinc/34/73/08/590347308.db2.gz HDTWGBWNYCHEAQ-LLVKDONJSA-N 1 0 223.316 2.167 20 10 BECDRO CC[C@H](C[NH2+]Cc1c(C)cccc1O)OC ZINC000877541486 590351507 /nfs/dbraw/zinc/35/15/07/590351507.db2.gz OUUFTPGFIHLHSY-LLVKDONJSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC000877554671 590356539 /nfs/dbraw/zinc/35/65/39/590356539.db2.gz LLIYUOVNPFVFJW-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H](C)CCCO)c(O)c1 ZINC000877560661 590359804 /nfs/dbraw/zinc/35/98/04/590359804.db2.gz XQTXJZYSSUWJAR-LBPRGKRZSA-N 1 0 237.343 2.199 20 10 BECDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(C)cc1O ZINC000877573423 590362795 /nfs/dbraw/zinc/36/27/95/590362795.db2.gz PIPNRXFGNIMVHU-GFCCVEGCSA-N 1 0 237.343 2.293 20 10 BECDRO CCOC1(C)C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877581660 590366059 /nfs/dbraw/zinc/36/60/59/590366059.db2.gz NGQHYHZIXRPSMJ-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877583702 590366753 /nfs/dbraw/zinc/36/67/53/590366753.db2.gz MEHHXKGGZCSVHH-TXEJJXNPSA-N 1 0 235.327 2.358 20 10 BECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877585836 590368019 /nfs/dbraw/zinc/36/80/19/590368019.db2.gz OKWZIKGLTCKTQQ-OCCSQVGLSA-N 1 0 235.327 2.358 20 10 BECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877584792 590368112 /nfs/dbraw/zinc/36/81/12/590368112.db2.gz YZAOPHICSIDOIW-BETUJISGSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c(O)c1 ZINC000877594863 590369935 /nfs/dbraw/zinc/36/99/35/590369935.db2.gz LGXCDSDYFDKNNN-CHWSQXEVSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000877595157 590369988 /nfs/dbraw/zinc/36/99/88/590369988.db2.gz UAKHETPPBSMPIP-DGCLKSJQSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)Cc1cnc[nH]1 ZINC000877620645 590375499 /nfs/dbraw/zinc/37/54/99/590375499.db2.gz VPWUISYEYJLJSH-UHFFFAOYSA-N 1 0 231.299 2.056 20 10 BECDRO COCCC1C[NH+](Cc2c(C)cccc2O)C1 ZINC000877623074 590376786 /nfs/dbraw/zinc/37/67/86/590376786.db2.gz IAZHNLGRMWJYHS-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cc(O)c(C[NH2+]C2CSC2)cc1C ZINC000877635123 590379560 /nfs/dbraw/zinc/37/95/60/590379560.db2.gz CYBDOVCITSVQNQ-UHFFFAOYSA-N 1 0 223.341 2.214 20 10 BECDRO CCCN1CC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877635734 590380889 /nfs/dbraw/zinc/38/08/89/590380889.db2.gz CMAKCAYUDMKTAQ-ZDUSSCGKSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000877637464 590381596 /nfs/dbraw/zinc/38/15/96/590381596.db2.gz ILDOCCFIJZSDMB-OLZOCXBDSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c(O)c1 ZINC000877651713 590385077 /nfs/dbraw/zinc/38/50/77/590385077.db2.gz JSBSXGCYLCZIFB-DOMZBBRYSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(O)c1 ZINC000877657549 590386431 /nfs/dbraw/zinc/38/64/31/590386431.db2.gz FJQIETJQEMHAOP-ZFWWWQNUSA-N 1 0 247.338 2.358 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2c(C)cccc2O)C1 ZINC000877661267 590386825 /nfs/dbraw/zinc/38/68/25/590386825.db2.gz ZQFJSRHRVVQQTH-TXEJJXNPSA-N 1 0 235.327 2.215 20 10 BECDRO CC(C)(F)C[NH2+]Cc1cc(F)ccc1O ZINC000877663148 590387951 /nfs/dbraw/zinc/38/79/51/590387951.db2.gz IKYLOUFMUHKTIU-UHFFFAOYSA-N 1 0 215.243 2.369 20 10 BECDRO COCC(C)(C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703117 590395699 /nfs/dbraw/zinc/39/56/99/590395699.db2.gz SAIHUAYSZZDOGV-UHFFFAOYSA-N 1 0 235.327 2.380 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1O ZINC000877752105 590416149 /nfs/dbraw/zinc/41/61/49/590416149.db2.gz MYCCHBUQMCWGMN-CYBMUJFWSA-N 1 0 249.354 2.293 20 10 BECDRO CC(C)(O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000877754840 590416604 /nfs/dbraw/zinc/41/66/04/590416604.db2.gz UWVMMTPFZHOVLN-UHFFFAOYSA-N 1 0 249.354 2.375 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1 ZINC000877752985 590416844 /nfs/dbraw/zinc/41/68/44/590416844.db2.gz KYLVOCHHBYJEFO-ZDUSSCGKSA-N 1 0 249.354 2.293 20 10 BECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(C)cc1O ZINC000877779326 590423057 /nfs/dbraw/zinc/42/30/57/590423057.db2.gz WADHNNMYHJZJNZ-DGCLKSJQSA-N 1 0 237.343 2.340 20 10 BECDRO CCC[N@H+](CC(C)=O)Cc1ccccc1O ZINC000878151881 590506641 /nfs/dbraw/zinc/50/66/41/590506641.db2.gz RFWRJEUWRRVWGG-UHFFFAOYSA-N 1 0 221.300 2.193 20 10 BECDRO C[C@@H]1OCC[C@@H]1C[N@H+](C)Cc1ccccc1O ZINC000878241895 590527905 /nfs/dbraw/zinc/52/79/05/590527905.db2.gz JPZOQRFSRDSPEO-NWDGAFQWSA-N 1 0 235.327 2.249 20 10 BECDRO CC(C)[C@H](O)CC[N@H+](C)Cc1ccccc1O ZINC000878242317 590528483 /nfs/dbraw/zinc/52/84/83/590528483.db2.gz OMENLGARRXRUJZ-CYBMUJFWSA-N 1 0 237.343 2.231 20 10 BECDRO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000879650263 590843274 /nfs/dbraw/zinc/84/32/74/590843274.db2.gz SKWRPKKTTFVKKB-WCQYABFASA-N 1 0 237.343 2.450 20 10 BECDRO CS[C@H](C)C[NH2+]Cc1ccccc1O ZINC000128060444 590885950 /nfs/dbraw/zinc/88/59/50/590885950.db2.gz KPLSGFYOVCMJII-SECBINFHSA-N 1 0 211.330 2.233 20 10 BECDRO CCN1CC[N@H+](Cc2cc(C)ccc2O)C[C@@H]1C ZINC000211382681 591163657 /nfs/dbraw/zinc/16/36/57/591163657.db2.gz BCFLPSZIVMVLGP-ZDUSSCGKSA-N 1 0 248.370 2.227 20 10 BECDRO C[C@H]([NH2+]Cc1ccccc1O)c1cnccn1 ZINC000130431888 591467853 /nfs/dbraw/zinc/46/78/53/591467853.db2.gz RTBHBEVIYLZYTB-JTQLQIEISA-N 1 0 229.283 2.033 20 10 BECDRO Oc1cc2c(cc1C[NH2+]CCCC1CC1)OCO2 ZINC000130626269 591488757 /nfs/dbraw/zinc/48/87/57/591488757.db2.gz RSDLHEUFERLINA-UHFFFAOYSA-N 1 0 249.310 2.401 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883122381 591543562 /nfs/dbraw/zinc/54/35/62/591543562.db2.gz LPQNEFOQYMLFRJ-SFYZADRCSA-N 1 0 245.269 2.183 20 10 BECDRO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000134247581 591906514 /nfs/dbraw/zinc/90/65/14/591906514.db2.gz JJUUGHCHVYSPTI-LDYMZIIASA-N 1 0 241.718 2.313 20 10 BECDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000134247598 591906630 /nfs/dbraw/zinc/90/66/30/591906630.db2.gz JJUUGHCHVYSPTI-GZMMTYOYSA-N 1 0 241.718 2.313 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000134937830 591961872 /nfs/dbraw/zinc/96/18/72/591961872.db2.gz UANMTUBUNYAWPD-PSASIEDQSA-N 1 0 241.718 2.485 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000134937801 591962159 /nfs/dbraw/zinc/96/21/59/591962159.db2.gz UANMTUBUNYAWPD-WCBMZHEXSA-N 1 0 241.718 2.485 20 10 BECDRO C[C@H]1SCC[C@H]1[NH2+]Cc1ccccc1O ZINC000220662601 592321176 /nfs/dbraw/zinc/32/11/76/592321176.db2.gz OOZOOQMOHXPQKB-MWLCHTKSSA-N 1 0 223.341 2.376 20 10 BECDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000301028779 592526638 /nfs/dbraw/zinc/52/66/38/592526638.db2.gz TYBUBGYWOKXADC-SNVBAGLBSA-N 1 0 223.316 2.295 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2COCC2(C)C)c1 ZINC000313025878 634440552 /nfs/dbraw/zinc/44/05/52/634440552.db2.gz RJMNTFYQHIWIQO-ZDUSSCGKSA-N 1 0 235.327 2.215 20 10 BECDRO COCC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000066996056 635400867 /nfs/dbraw/zinc/40/08/67/635400867.db2.gz ABQXOJPOCDTQRU-UHFFFAOYSA-N 1 0 236.359 2.267 20 10 BECDRO COc1ccc(C[N@H+](C)C2CC2)c(O)c1OC ZINC000891620152 631412153 /nfs/dbraw/zinc/41/21/53/631412153.db2.gz PWQJCEXDMJASRX-UHFFFAOYSA-N 1 0 237.299 2.004 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)(C)O ZINC000083662425 631427737 /nfs/dbraw/zinc/42/77/37/631427737.db2.gz USBPHHOIYBFGLD-LLVKDONJSA-N 1 0 236.359 2.002 20 10 BECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC2)cc1 ZINC000095015575 631583400 /nfs/dbraw/zinc/58/34/00/631583400.db2.gz JOGDJHXIPYZLTQ-CQSZACIVSA-N 1 0 248.370 2.411 20 10 BECDRO Cc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c(O)c1 ZINC000877306955 635676137 /nfs/dbraw/zinc/67/61/37/635676137.db2.gz BNRKZRVBDXZGAB-RISCZKNCSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C)(O)CC2)c1 ZINC000178900284 635778251 /nfs/dbraw/zinc/77/82/51/635778251.db2.gz XHYKMQLROGLMKV-UHFFFAOYSA-N 1 0 249.354 2.356 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000309496053 632416901 /nfs/dbraw/zinc/41/69/01/632416901.db2.gz YLBPQGDIDJNASS-VWYCJHECSA-N 1 0 223.316 2.466 20 10 BECDRO CN(C)c1ccc(C[NH2+]C2(CO)CCCC2)cc1 ZINC000053044339 632554934 /nfs/dbraw/zinc/55/49/34/632554934.db2.gz HTKKNBCFFJKMRS-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO COc1ccc(C[NH2+]C2(CO)CCCC2)cc1C ZINC000053045435 632555199 /nfs/dbraw/zinc/55/51/99/632555199.db2.gz SNENJQIYDSNIAS-UHFFFAOYSA-N 1 0 249.354 2.398 20 10 BECDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc2c(cc1O)OCO2 ZINC000091937870 632661404 /nfs/dbraw/zinc/66/14/04/632661404.db2.gz HOKHIFWFUMVSKX-UWVGGRQHSA-N 1 0 249.310 2.494 20 10 BECDRO CC[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310494107 632748471 /nfs/dbraw/zinc/74/84/71/632748471.db2.gz PGXIJKRQUMMQLX-BXUZGUMPSA-N 1 0 235.327 2.130 20 10 BECDRO CC[N@H+](Cc1cc(C)ccc1O)[C@H]1CCOC1 ZINC000310507164 632749980 /nfs/dbraw/zinc/74/99/80/632749980.db2.gz JJMIVVKMHNZHBA-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1 ZINC000310737499 632926618 /nfs/dbraw/zinc/92/66/18/632926618.db2.gz PXXDACKBEIPKPY-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000164559360 633079258 /nfs/dbraw/zinc/07/92/58/633079258.db2.gz JGYTWVXJDUFRLL-DTWKUNHWSA-N 1 0 243.734 2.295 20 10 BECDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000164600131 633079768 /nfs/dbraw/zinc/07/97/68/633079768.db2.gz DFFDJEIAFWAPAS-RKDXNWHRSA-N 1 0 243.734 2.295 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)CC2 ZINC000311170938 633081612 /nfs/dbraw/zinc/08/16/12/633081612.db2.gz QKLHCAXAYIRSJP-YNEHKIRRSA-N 1 0 247.338 2.130 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCC2)c1 ZINC000168762222 633146064 /nfs/dbraw/zinc/14/60/64/633146064.db2.gz KWRWAEVOOIZHER-LLVKDONJSA-N 1 0 235.327 2.266 20 10 BECDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccccc1O ZINC000310442070 636051609 /nfs/dbraw/zinc/05/16/09/636051609.db2.gz SQEZAFQTNPPXIO-QMTHXVAHSA-N 1 0 235.327 2.204 20 10 BECDRO C[C@@H](CF)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000309794954 633748922 /nfs/dbraw/zinc/74/89/22/633748922.db2.gz VDFGASZZHJFVPO-VIFPVBQESA-N 1 0 228.286 2.339 20 10 BECDRO COC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628535 633838020 /nfs/dbraw/zinc/83/80/20/633838020.db2.gz HXOULDXHOUYKCJ-GHMZBOCLSA-N 1 0 223.316 2.386 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](C)O)c1cc(Cl)ccc1O ZINC000309994477 634056900 /nfs/dbraw/zinc/05/69/00/634056900.db2.gz BTOPVBUPFFCCTG-LDYMZIIASA-N 1 0 243.734 2.467 20 10 BECDRO CC(C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000075825528 635132094 /nfs/dbraw/zinc/13/20/94/635132094.db2.gz LOPGOMVNZRREPQ-OAHLLOKOSA-N 1 0 249.402 2.353 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1 ZINC000258744122 635194292 /nfs/dbraw/zinc/19/42/92/635194292.db2.gz JQBVFRZQXZFQDR-AWEZNQCLSA-N 1 0 248.370 2.098 20 10 BECDRO C[C@@H]([NH2+]Cc1ccno1)c1ccccc1O ZINC000223660785 635374468 /nfs/dbraw/zinc/37/44/68/635374468.db2.gz KGCIUVQZSANMAD-SECBINFHSA-N 1 0 218.256 2.231 20 10 BECDRO C[N@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000192562937 636869616 /nfs/dbraw/zinc/86/96/16/636869616.db2.gz PBAJWNJQSWVSRU-UHFFFAOYSA-N 1 0 217.312 2.475 20 10 BECDRO CC[C@@](C)(C[NH2+]Cc1ccccc1O)OC ZINC000322931553 636884595 /nfs/dbraw/zinc/88/45/95/636884595.db2.gz NMKWSEYKFPSXSI-ZDUSSCGKSA-N 1 0 223.316 2.297 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1C ZINC000323504067 637004872 /nfs/dbraw/zinc/00/48/72/637004872.db2.gz DNZSDRVPTFFPLF-STQMWFEESA-N 1 0 235.327 2.007 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000128520313 637084986 /nfs/dbraw/zinc/08/49/86/637084986.db2.gz MFVBBFJZHCPSBN-CHWSQXEVSA-N 1 0 248.370 2.362 20 10 BECDRO CCN(CC)c1ccc(CNCC2([NH3+])CC2)cc1 ZINC000904450950 637417388 /nfs/dbraw/zinc/41/73/88/637417388.db2.gz UWODNYHHDAYYFW-UHFFFAOYSA-N 1 0 247.386 2.114 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC2)c1 ZINC000035628815 639765399 /nfs/dbraw/zinc/76/53/99/639765399.db2.gz NQOJBVOEZFQHMW-CYBMUJFWSA-N 1 0 248.370 2.447 20 10 BECDRO Cc1cccc(N(C)C(=O)C2=CCC[NH2+]CC2)c1 ZINC000912264941 640009322 /nfs/dbraw/zinc/00/93/22/640009322.db2.gz AKOQOVIEIJZVRD-UHFFFAOYSA-N 1 0 244.338 2.268 20 10 BECDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@H]2CCOC2)c1 ZINC000164306901 640471257 /nfs/dbraw/zinc/47/12/57/640471257.db2.gz WVBRMMIFTRMTAN-ZDUSSCGKSA-N 1 0 235.327 2.230 20 10 BECDRO CN(C)c1ccc(C[NH2+]C2CCOCC2)cc1 ZINC000036304406 640472510 /nfs/dbraw/zinc/47/25/10/640472510.db2.gz ZLFDHBPDKZCMJJ-UHFFFAOYSA-N 1 0 234.343 2.021 20 10 BECDRO COC[C@H]([NH2+]Cc1cc(F)ccc1O)C(C)C ZINC000226609534 640778942 /nfs/dbraw/zinc/77/89/42/640778942.db2.gz PEMBWKYLGFIUFF-LBPRGKRZSA-N 1 0 241.306 2.292 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@]2(C)CCO[C@H]2C)c1 ZINC000230154148 641031904 /nfs/dbraw/zinc/03/19/04/641031904.db2.gz NYOOXTFSIPKJHX-FZMZJTMJSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(C[NH2+]CC[C@H]2CCOC2)c1O ZINC000230393163 641048669 /nfs/dbraw/zinc/04/86/69/641048669.db2.gz DWTCOLBFSIBFPP-LBPRGKRZSA-N 1 0 235.327 2.217 20 10 BECDRO COC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000307781900 641200411 /nfs/dbraw/zinc/20/04/11/641200411.db2.gz QAXJMGXSXWZKDK-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO C[N@H+](CCOC1CC1)Cc1ccccc1O ZINC000929977553 642058787 /nfs/dbraw/zinc/05/87/87/642058787.db2.gz WDWOFTZHTALLEI-UHFFFAOYSA-N 1 0 221.300 2.003 20 10 BECDRO CCCC[N@H+](CCO)Cc1cccc(C)c1O ZINC000305762152 642691325 /nfs/dbraw/zinc/69/13/25/642691325.db2.gz FKNDZLZRKHETEF-UHFFFAOYSA-N 1 0 237.343 2.295 20 10 BECDRO COC1(C[NH2+]Cc2cccc(C)c2O)CCC1 ZINC000180792118 642814080 /nfs/dbraw/zinc/81/40/80/642814080.db2.gz HWXPNGFFRIJNID-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO COC(C)(C)C[NH2+]Cc1cc(F)ccc1O ZINC000180815699 642817289 /nfs/dbraw/zinc/81/72/89/642817289.db2.gz JSQZBWPLSCPISV-UHFFFAOYSA-N 1 0 227.279 2.046 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](C)OC)c1ccccc1O ZINC000182435726 643018770 /nfs/dbraw/zinc/01/87/70/643018770.db2.gz ZPGWMGKMBPIYHN-ZYHUDNBSSA-N 1 0 223.316 2.468 20 10 BECDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000185218796 643275072 /nfs/dbraw/zinc/27/50/72/643275072.db2.gz MGQIKRPJKKNVPJ-CYBMUJFWSA-N 1 0 235.327 2.128 20 10 BECDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000185218780 643275253 /nfs/dbraw/zinc/27/52/53/643275253.db2.gz MGQIKRPJKKNVPJ-ZDUSSCGKSA-N 1 0 235.327 2.128 20 10 BECDRO Oc1ccccc1C[NH2+]Cc1cscn1 ZINC000082367491 643303774 /nfs/dbraw/zinc/30/37/74/643303774.db2.gz ZESIJOBHIHHUND-UHFFFAOYSA-N 1 0 220.297 2.139 20 10 BECDRO CCN(C[C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000843357735 643362971 /nfs/dbraw/zinc/36/29/71/643362971.db2.gz PDIMNBUGZYAFAD-GFCCVEGCSA-N 1 0 234.343 2.131 20 10 BECDRO CSCC[NH2+]Cc1cc(C)ccc1O ZINC000068994135 643436686 /nfs/dbraw/zinc/43/66/86/643436686.db2.gz YOPYYGHZFCYSTQ-UHFFFAOYSA-N 1 0 211.330 2.153 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000042545706 643509228 /nfs/dbraw/zinc/50/92/28/643509228.db2.gz NFPRXPDSDMQKHV-TZMCWYRMSA-N 1 0 247.386 2.107 20 10 BECDRO CC[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921667703 643710017 /nfs/dbraw/zinc/71/00/17/643710017.db2.gz LAUDJEKYDWBYMP-OAHLLOKOSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@H](CCO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921800082 643796621 /nfs/dbraw/zinc/79/66/21/643796621.db2.gz CEUQEROUISQQSJ-GFCCVEGCSA-N 1 0 249.354 2.120 20 10 BECDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948453 643832017 /nfs/dbraw/zinc/83/20/17/643832017.db2.gz DAVNAWVGCGPDLZ-SMDDNHRTSA-N 1 0 247.338 2.279 20 10 BECDRO COc1ccc(N(C)C[C@H](C)[NH3+])cc1Cl ZINC000084506904 644425305 /nfs/dbraw/zinc/42/53/05/644425305.db2.gz OBGBAIATRABDDD-QMMMGPOBSA-N 1 0 228.723 2.132 20 10 BECDRO CC[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1O ZINC000087784633 644503237 /nfs/dbraw/zinc/50/32/37/644503237.db2.gz VUXJNRZMXWZVNM-CMPLNLGQSA-N 1 0 221.300 2.222 20 10 BECDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000091980095 644644288 /nfs/dbraw/zinc/64/42/88/644644288.db2.gz BKKZVNQBPIXSFA-CQSZACIVSA-N 1 0 248.370 2.363 20 10 BECDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000304059195 644867684 /nfs/dbraw/zinc/86/76/84/644867684.db2.gz NTFKQFVDYFSMDW-HNNXBMFYSA-N 1 0 249.354 2.118 20 10 BECDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccccc1O ZINC000252745069 644897411 /nfs/dbraw/zinc/89/74/11/644897411.db2.gz AFUCLBNMYZUPNF-OUAUKWLOSA-N 1 0 223.316 2.202 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000304509343 644911611 /nfs/dbraw/zinc/91/16/11/644911611.db2.gz HQRZVUBQTGFSDP-CYBMUJFWSA-N 1 0 247.294 2.117 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(F)cc1[O-] ZINC000817979833 644992593 /nfs/dbraw/zinc/99/25/93/644992593.db2.gz PNOJIIRXJCWQIW-PTRXPTGYSA-N 1 0 240.322 2.308 20 10 BECDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000817980737 644994101 /nfs/dbraw/zinc/99/41/01/644994101.db2.gz WRJGUILDQZVIKB-YPMHNXCESA-N 1 0 235.375 2.141 20 10 BECDRO Cc1ccc([C@@H](C)N[C@@H]2CCCC[NH2+]C2)c(O)c1 ZINC000817983388 644995537 /nfs/dbraw/zinc/99/55/37/644995537.db2.gz BPKGYUAYEBCMFE-CHWSQXEVSA-N 1 0 248.370 2.493 20 10 BECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000824636617 645056892 /nfs/dbraw/zinc/05/68/92/645056892.db2.gz RWMSNHSHTJOTLC-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO CC[C@@H]([NH2+][C@H](CO)CCF)c1ccccc1O ZINC000846096689 645402279 /nfs/dbraw/zinc/40/22/79/645402279.db2.gz KGLGDVGQADGBNS-CMPLNLGQSA-N 1 0 241.306 2.153 20 10 BECDRO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000927151817 645575987 /nfs/dbraw/zinc/57/59/87/645575987.db2.gz GTNPWEHMKCKGKO-OBJOEFQTSA-N 1 0 248.370 2.174 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@]2(C)CO)c(O)c1 ZINC000877459763 645796794 /nfs/dbraw/zinc/79/67/94/645796794.db2.gz KLYMLYORDMAADA-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO COCC[N@H+](CCF)Cc1ccc(C)cc1O ZINC000877627079 645802453 /nfs/dbraw/zinc/80/24/53/645802453.db2.gz LULIJBZDURCQDO-UHFFFAOYSA-N 1 0 241.306 2.119 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1COC[C@H]1C ZINC000925077556 646177637 /nfs/dbraw/zinc/17/76/37/646177637.db2.gz BLXRWXRWYKYCHH-IUODEOHRSA-N 1 0 248.370 2.186 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711497347 712306916 /nfs/dbraw/zinc/30/69/16/712306916.db2.gz LWRUYKCSBNRBDB-JTQLQIEISA-N 1 0 209.264 2.184 20 10 BECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccccc1O ZINC000716955668 712599865 /nfs/dbraw/zinc/59/98/65/712599865.db2.gz QVKDUJYLKNGQHN-JQWIXIFHSA-N 1 0 223.316 2.031 20 10 BECDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccccc1O ZINC000379897854 712621818 /nfs/dbraw/zinc/62/18/18/712621818.db2.gz HJIDGGQIBDQXAC-KOLCDFICSA-N 1 0 223.341 2.233 20 10 BECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)O)c1O ZINC000381566119 710657344 /nfs/dbraw/zinc/65/73/44/710657344.db2.gz ULKAHHXZIBFAPY-DTWKUNHWSA-N 1 0 243.734 2.385 20 10 BECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCO)c1O ZINC000381786419 710715917 /nfs/dbraw/zinc/71/59/17/710715917.db2.gz YXDLOPPCAWBYTC-VIFPVBQESA-N 1 0 243.734 2.387 20 10 BECDRO C[C@@H](O)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000383872002 710985944 /nfs/dbraw/zinc/98/59/44/710985944.db2.gz PXELIMDRMMRTJU-PWSUYJOCSA-N 1 0 235.327 2.130 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](C)O ZINC000386900182 711038332 /nfs/dbraw/zinc/03/83/32/711038332.db2.gz OPSDCGOIOYEBGQ-FZMZJTMJSA-N 1 0 236.359 2.002 20 10 BECDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CCCOC1 ZINC000388523725 711062553 /nfs/dbraw/zinc/06/25/53/711062553.db2.gz XTJUUJWRIZMWCT-YPMHNXCESA-N 1 0 235.327 2.297 20 10 BECDRO COCC(C)(C)CNc1ccc(N)cc1 ZINC000389696564 711086333 /nfs/dbraw/zinc/08/63/33/711086333.db2.gz IXZXDSJSTXOSNT-UHFFFAOYSA-N 1 0 208.305 2.353 20 10 BECDRO Cc1cccc(CN[C@@H](C)C(F)F)c1O ZINC000389971814 711101074 /nfs/dbraw/zinc/10/10/74/711101074.db2.gz VRHKGWUBSAQCQB-QMMMGPOBSA-N 1 0 215.243 2.444 20 10 BECDRO Cc1cccc(C[NH2+]C2(CN(C)C)CCC2)c1O ZINC000393502648 711161640 /nfs/dbraw/zinc/16/16/40/711161640.db2.gz MKAYASXOLYRVTC-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO CCOC[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000393827196 711177119 /nfs/dbraw/zinc/17/71/19/711177119.db2.gz FKRSLIQVTPRHQR-JQWIXIFHSA-N 1 0 235.327 2.394 20 10 BECDRO CCC1(C[NH2+][C@H](C)c2ccccc2O)COC1 ZINC000393980964 711180308 /nfs/dbraw/zinc/18/03/08/711180308.db2.gz CYZKJZRAWLMVMQ-LLVKDONJSA-N 1 0 235.327 2.469 20 10 BECDRO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(F)ccc1O ZINC000393968031 711180506 /nfs/dbraw/zinc/18/05/06/711180506.db2.gz GUULXRILAXOEKK-IUCAKERBSA-N 1 0 241.306 2.341 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(C)(C)O ZINC000393971760 711180586 /nfs/dbraw/zinc/18/05/86/711180586.db2.gz OAQGMEQHSHBUDO-GXSJLCMTSA-N 1 0 235.327 2.129 20 10 BECDRO CC1(C)CC([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000395232366 711205989 /nfs/dbraw/zinc/20/59/89/711205989.db2.gz VCWDZXYRUPICCJ-UHFFFAOYSA-N 1 0 249.310 2.399 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H](C)O ZINC000395699428 711214467 /nfs/dbraw/zinc/21/44/67/711214467.db2.gz KQRPVAVRWVTZPU-DGCLKSJQSA-N 1 0 237.343 2.253 20 10 BECDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CO1 ZINC000396558882 711354798 /nfs/dbraw/zinc/35/47/98/711354798.db2.gz VPNMVRNJYITXHV-CYBMUJFWSA-N 1 0 247.338 2.279 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](C)O2)c1 ZINC000398049754 711401292 /nfs/dbraw/zinc/40/12/92/711401292.db2.gz VPHTZOIDUGGBTG-WCQYABFASA-N 1 0 235.327 2.358 20 10 BECDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000398587318 711412999 /nfs/dbraw/zinc/41/29/99/711412999.db2.gz SWPZSZNRIQKHGV-HNNXBMFYSA-N 1 0 249.354 2.118 20 10 BECDRO C[C@@H]1COCCC[N@@H+]1Cc1ccccc1O ZINC000398870603 711416446 /nfs/dbraw/zinc/41/64/46/711416446.db2.gz PHBVPSWCFLKYAK-LLVKDONJSA-N 1 0 221.300 2.003 20 10 BECDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2O)CO1 ZINC000396853115 711371639 /nfs/dbraw/zinc/37/16/39/711371639.db2.gz PNKSYDIJHTUASO-LLVKDONJSA-N 1 0 221.300 2.049 20 10 BECDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2O)CO1 ZINC000396853117 711371802 /nfs/dbraw/zinc/37/18/02/711371802.db2.gz PNKSYDIJHTUASO-NSHDSACASA-N 1 0 221.300 2.049 20 10 BECDRO Cc1ncc(C[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000397908749 711395879 /nfs/dbraw/zinc/39/58/79/711395879.db2.gz BSILRVSXTPORCJ-UHFFFAOYSA-N 1 0 245.326 2.339 20 10 BECDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000136255426 711693114 /nfs/dbraw/zinc/69/31/14/711693114.db2.gz AUYUJLOGBJGYBB-AAEUAGOBSA-N 1 0 218.344 2.498 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H](C)O ZINC000386961671 711763854 /nfs/dbraw/zinc/76/38/54/711763854.db2.gz ZGEIWANATVCEFG-ADEWGFFLSA-N 1 0 235.327 2.129 20 10 BECDRO CC[N@H+](Cc1cccc(C)c1O)[C@@H]1CCOC1 ZINC000310473682 711777374 /nfs/dbraw/zinc/77/73/74/711777374.db2.gz BHCWTGNPJBDHOJ-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO CC[C@H](C)C[NH2+]CCc1ccc(N)cc1 ZINC000054488639 711795828 /nfs/dbraw/zinc/79/58/28/711795828.db2.gz QOODXSIKGBKUIB-NSHDSACASA-N 1 0 206.333 2.447 20 10 BECDRO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000703557219 712078672 /nfs/dbraw/zinc/07/86/72/712078672.db2.gz YGKLWFKXUVOHKP-JTQLQIEISA-N 1 0 231.299 2.275 20 10 BECDRO CC[C@H]([NH2+]CCOCCF)c1ccccc1O ZINC000705792794 712137290 /nfs/dbraw/zinc/13/72/90/712137290.db2.gz CXUZQSOLGUDYCM-LBPRGKRZSA-N 1 0 241.306 2.419 20 10 BECDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000706533177 712149023 /nfs/dbraw/zinc/14/90/23/712149023.db2.gz DVXZRJFRWAUOIZ-LSJOCFKGSA-N 1 0 239.290 2.359 20 10 BECDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000706532445 712149358 /nfs/dbraw/zinc/14/93/58/712149358.db2.gz QOEQEKBUFLOVHL-IJLUTSLNSA-N 1 0 233.311 2.147 20 10 BECDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000706532320 712149371 /nfs/dbraw/zinc/14/93/71/712149371.db2.gz ORYNSSQQNJOTGE-XYPYZODXSA-N 1 0 241.718 2.313 20 10 BECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1(C)CC1 ZINC000706903494 712160467 /nfs/dbraw/zinc/16/04/67/712160467.db2.gz PIAABCZEGLUWDC-SECBINFHSA-N 1 0 249.310 2.399 20 10 BECDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccccc1O ZINC000710185113 712247649 /nfs/dbraw/zinc/24/76/49/712247649.db2.gz OJPVBZUUCAWHRK-GHMZBOCLSA-N 1 0 235.327 2.204 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711488414 712306380 /nfs/dbraw/zinc/30/63/80/712306380.db2.gz DCCXOPCXAVFNKY-VIFPVBQESA-N 1 0 227.254 2.323 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000711492859 712307251 /nfs/dbraw/zinc/30/72/51/712307251.db2.gz UVVSSLSWNORSSR-JTQLQIEISA-N 1 0 239.290 2.192 20 10 BECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1C=CCC1)OCO2 ZINC000711681192 712316787 /nfs/dbraw/zinc/31/67/87/712316787.db2.gz UPRZJOPIWJYTAJ-SNVBAGLBSA-N 1 0 247.294 2.177 20 10 BECDRO Oc1ccccc1C[NH2+]Cc1nccn1C1CC1 ZINC000711725195 712322631 /nfs/dbraw/zinc/32/26/31/712322631.db2.gz GQIJOJCLPJKZLA-UHFFFAOYSA-N 1 0 243.310 2.213 20 10 BECDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCOC1 ZINC000390622220 712421780 /nfs/dbraw/zinc/42/17/80/712421780.db2.gz GCMLDAILGDROJP-LBPRGKRZSA-N 1 0 221.300 2.003 20 10 BECDRO CC[C@H]([NH2+]C[C@@H]1CCN1C)c1ccccc1O ZINC000712586923 712434525 /nfs/dbraw/zinc/43/45/25/712434525.db2.gz PQDPYUACBDYVPF-AAEUAGOBSA-N 1 0 234.343 2.137 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H]2C[C@H](OC)C2)c1O ZINC000714630579 712489848 /nfs/dbraw/zinc/48/98/48/712489848.db2.gz MUHQKIHBBYIQLC-YEORSEQZSA-N 1 0 249.354 2.469 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+]Cc2cccc(C)c2O)C1 ZINC000714730313 712496751 /nfs/dbraw/zinc/49/67/51/712496751.db2.gz ODZTYJUTFWJOOZ-AULYBMBSSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)[nH]n1 ZINC000716461847 712563102 /nfs/dbraw/zinc/56/31/02/712563102.db2.gz BLPRNPJZVQFYTM-SECBINFHSA-N 1 0 249.289 2.414 20 10 BECDRO CCC[C@H](CCO)[NH2+]Cc1cc(C)ccc1O ZINC000716796005 712574384 /nfs/dbraw/zinc/57/43/84/712574384.db2.gz FJXWNYLPOLWSFK-CYBMUJFWSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cccc(C)c1O ZINC000716813987 712576257 /nfs/dbraw/zinc/57/62/57/712576257.db2.gz JIVIAEANYLDFNS-YPMHNXCESA-N 1 0 237.343 2.340 20 10 BECDRO Cc1ccc(C[N@H+](C)CCCCCO)c(O)c1 ZINC000877485458 712631241 /nfs/dbraw/zinc/63/12/41/712631241.db2.gz VAAXYJUQJQUCSH-UHFFFAOYSA-N 1 0 237.343 2.295 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C2CCC2)cc1 ZINC000717614968 712662488 /nfs/dbraw/zinc/66/24/88/712662488.db2.gz QNBWHKHMUVGWBV-HNNXBMFYSA-N 1 0 248.370 2.003 20 10 BECDRO CCc1cccc(C[NH2+]CC2(CO)CCC2)c1O ZINC000717647610 712663224 /nfs/dbraw/zinc/66/32/24/712663224.db2.gz BZCMXPUDEXFZLO-UHFFFAOYSA-N 1 0 249.354 2.207 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038043673 712801413 /nfs/dbraw/zinc/80/14/13/712801413.db2.gz QIBNQOVBOBJJBM-AWEZNQCLSA-N 1 0 248.370 2.269 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2C)c1 ZINC000719559708 712809320 /nfs/dbraw/zinc/80/93/20/712809320.db2.gz NRVDHLJNIYUOBP-SGMGOOAPSA-N 1 0 248.370 2.444 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2C)c(O)c1 ZINC000719558679 712809424 /nfs/dbraw/zinc/80/94/24/712809424.db2.gz LXZAOCOSKDSEOT-OUCADQQQSA-N 1 0 248.370 2.444 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc1C ZINC000719596386 712812994 /nfs/dbraw/zinc/81/29/94/712812994.db2.gz AKPBXXQERSRIEJ-TZMCWYRMSA-N 1 0 248.370 2.186 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccccc1O ZINC000719647005 712820104 /nfs/dbraw/zinc/82/01/04/712820104.db2.gz MMVLGYCQMHYDBL-GMXVVIOVSA-N 1 0 234.343 2.135 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c(O)c1 ZINC000720938490 712880538 /nfs/dbraw/zinc/88/05/38/712880538.db2.gz BFBRQIRBNAUQMO-IJLUTSLNSA-N 1 0 235.327 2.122 20 10 BECDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1O ZINC000402111345 1165749054 /nfs/dbraw/zinc/74/90/54/1165749054.db2.gz DKSBWWKKRHBTNM-VWYCJHECSA-N 1 0 221.300 2.220 20 10 BECDRO CCOc1cccc(C[NH+]2CC=CC2)c1O ZINC001203602184 966700857 /nfs/dbraw/zinc/70/08/57/966700857.db2.gz GUBOINNQZKJETA-UHFFFAOYSA-N 1 0 219.284 2.163 20 10 BECDRO CCCOc1ccc(N2CC[C@@H]([NH3+])C2)c(F)c1 ZINC001164288857 968215658 /nfs/dbraw/zinc/21/56/58/968215658.db2.gz UPNJCAOOWQNKHR-SNVBAGLBSA-N 1 0 238.306 2.152 20 10 BECDRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC000128439963 1166063077 /nfs/dbraw/zinc/06/30/77/1166063077.db2.gz NBADTLGXENILEE-GXSJLCMTSA-N 1 0 221.300 2.376 20 10 BECDRO Oc1ccc(C[NH2+][C@@H]2CCCSC2)c(O)c1 ZINC000129242943 1166161822 /nfs/dbraw/zinc/16/18/22/1166161822.db2.gz KWZFDOFFPJDZRY-SNVBAGLBSA-N 1 0 239.340 2.083 20 10 BECDRO Oc1ccc(C[NH2+][C@H]2CCCSC2)c(O)c1 ZINC000129243169 1166162234 /nfs/dbraw/zinc/16/22/34/1166162234.db2.gz KWZFDOFFPJDZRY-JTQLQIEISA-N 1 0 239.340 2.083 20 10 BECDRO COc1ccc(O)c(C[NH2+]C/C=C\C2CC2)c1 ZINC000393693922 1166504923 /nfs/dbraw/zinc/50/49/23/1166504923.db2.gz LCIHNZAAHJWOKL-IHWYPQMZSA-N 1 0 233.311 2.457 20 10 BECDRO CCC[C@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000019902636 1166651832 /nfs/dbraw/zinc/65/18/32/1166651832.db2.gz UCRFBYJIHWQKMS-VIFPVBQESA-N 1 0 209.289 2.376 20 10 BECDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000309817292 1166662037 /nfs/dbraw/zinc/66/20/37/1166662037.db2.gz VMVCDXCITRAZLR-LDYMZIIASA-N 1 0 241.331 2.372 20 10 BECDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000309817282 1166662113 /nfs/dbraw/zinc/66/21/13/1166662113.db2.gz VMVCDXCITRAZLR-KCJUWKMLSA-N 1 0 241.331 2.372 20 10 BECDRO Oc1ccccc1C[NH+]1CC2CC(C2)C1 ZINC000214467128 1167037558 /nfs/dbraw/zinc/03/75/58/1167037558.db2.gz GJTLWHIGCUTPLO-UHFFFAOYSA-N 1 0 203.285 2.234 20 10 BECDRO Oc1ccccc1C[NH2+]C/C=C\C1CC1 ZINC000382316422 1167098030 /nfs/dbraw/zinc/09/80/30/1167098030.db2.gz RQFXAXVQIVYWJD-ARJAWSKDSA-N 1 0 203.285 2.448 20 10 BECDRO Oc1cccc(F)c1Nc1cc[nH+]cc1 ZINC001173882861 975946069 /nfs/dbraw/zinc/94/60/69/975946069.db2.gz YHLIQMVFSPIAPN-UHFFFAOYSA-N 1 0 204.204 2.092 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)CO ZINC000168738364 1168337498 /nfs/dbraw/zinc/33/74/98/1168337498.db2.gz KYWWAQHUOOCLDJ-GMTAPVOTSA-N 1 0 235.327 2.219 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000711489850 1168408439 /nfs/dbraw/zinc/40/84/39/1168408439.db2.gz LMPVVMAWNBYWAM-NSHDSACASA-N 1 0 223.291 2.492 20 10 BECDRO Oc1cc2c(cc1CN1CCOCC1)CCCC2 ZINC000159464114 1169132136 /nfs/dbraw/zinc/13/21/36/1169132136.db2.gz IGNIVNLGCAQQHR-UHFFFAOYSA-N 1 0 247.338 2.103 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CO1 ZINC000402241375 970776140 /nfs/dbraw/zinc/77/61/40/970776140.db2.gz YBWZPHJCTHZASL-RKDXNWHRSA-N 1 0 241.718 2.313 20 10 BECDRO CNc1cc(Nc2cccc(O)c2O)cc[nH+]1 ZINC001216335312 971050302 /nfs/dbraw/zinc/05/03/02/971050302.db2.gz OZLDGUPMTWALKG-UHFFFAOYSA-N 1 0 231.255 2.278 20 10 BECDRO CC[C@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CO1 ZINC000403885656 971086368 /nfs/dbraw/zinc/08/63/68/971086368.db2.gz PBXOIKSCIMPETB-AAEUAGOBSA-N 1 0 235.327 2.392 20 10 BECDRO Nc1ccc(O[C@H]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001218092813 971598776 /nfs/dbraw/zinc/59/87/76/971598776.db2.gz RXYSHBRHMMMBFB-UONOGXRCSA-N 1 0 232.327 2.180 20 10 BECDRO Nc1ccc(O[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC001218486169 971830778 /nfs/dbraw/zinc/83/07/78/971830778.db2.gz PKCFTEGSXPSIFK-HNNXBMFYSA-N 1 0 240.306 2.492 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCCOCC2)c1O ZINC000310568328 971975477 /nfs/dbraw/zinc/97/54/77/971975477.db2.gz MYXCNJFQGIUQTR-CYBMUJFWSA-N 1 0 235.327 2.359 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)C1CCC1)CC2 ZINC000315763280 972250411 /nfs/dbraw/zinc/25/04/11/972250411.db2.gz CTPFCODAHALZLI-JSGCOSHPSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccccc1O ZINC000316592291 972286714 /nfs/dbraw/zinc/28/67/14/972286714.db2.gz OJEAHXMSYVNVNJ-YGRLFVJLSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c1O ZINC001140178460 957717719 /nfs/dbraw/zinc/71/77/19/957717719.db2.gz MCHFRLOBKQZAQL-RISCZKNCSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1ccc(C)c(C[N@H+](C2CC2)C2COC2)c1O ZINC001140182329 957722439 /nfs/dbraw/zinc/72/24/39/957722439.db2.gz PAGFYNHECAXSAO-UHFFFAOYSA-N 1 0 247.338 2.372 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000086870027 957737095 /nfs/dbraw/zinc/73/70/95/957737095.db2.gz RAZOCTNMWYLYEX-CQSZACIVSA-N 1 0 248.370 2.411 20 10 BECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140461140 958480957 /nfs/dbraw/zinc/48/09/57/958480957.db2.gz FIJDVYCSXXNGLS-LDYMZIIASA-N 1 0 241.718 2.001 20 10 BECDRO C[N@@H+](Cc1ccc(Cl)cc1O)CC1COC1 ZINC001140465650 958518461 /nfs/dbraw/zinc/51/84/61/958518461.db2.gz PSEYVJSDDMSYAR-UHFFFAOYSA-N 1 0 241.718 2.124 20 10 BECDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000096811776 958731992 /nfs/dbraw/zinc/73/19/92/958731992.db2.gz KPPBHLHUZRABMS-ZDUSSCGKSA-N 1 0 248.370 2.147 20 10 BECDRO C[N@H+](Cc1cc[nH]c1)Cc1ccccc1O ZINC000091974459 958792118 /nfs/dbraw/zinc/79/21/18/958792118.db2.gz CLJAOPYGWJNREH-UHFFFAOYSA-N 1 0 216.284 2.352 20 10 BECDRO Cc1c(O)ccc(C[N@H+]2CC[C@H](C)C2)c1O ZINC001140744370 959792811 /nfs/dbraw/zinc/79/28/11/959792811.db2.gz VJRKCWCLGPVMTJ-VIFPVBQESA-N 1 0 221.300 2.248 20 10 BECDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c(O)c1 ZINC001140948097 960124855 /nfs/dbraw/zinc/12/48/55/960124855.db2.gz SPSAMHXSCNGCAZ-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO C[N@H+](Cc1ccc(N)cc1)[C@@H]1CCSC1 ZINC000037174270 960136721 /nfs/dbraw/zinc/13/67/21/960136721.db2.gz NPXQLHLTSJVKMY-GFCCVEGCSA-N 1 0 222.357 2.206 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCOCC2)c1 ZINC000310357691 960437092 /nfs/dbraw/zinc/43/70/92/960437092.db2.gz SJKVJFZLDYOYLD-ZDUSSCGKSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccno2)c1 ZINC001140623807 960467534 /nfs/dbraw/zinc/46/75/34/960467534.db2.gz SIMYQBFFWAOHDV-UHFFFAOYSA-N 1 0 232.283 2.321 20 10 BECDRO Cc1c(O)ccc(C[N@H+]2CC[C@H]2C)c1O ZINC001140744433 960543755 /nfs/dbraw/zinc/54/37/55/960543755.db2.gz XEWZXNFAQNGRIC-MRVPVSSYSA-N 1 0 207.273 2.000 20 10 BECDRO Cc1ccc(C[N@@H+]2CCCC23COC3)c(O)c1 ZINC001140950251 960755815 /nfs/dbraw/zinc/75/58/15/960755815.db2.gz XFCZNFWDKRBCLL-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1ccc(C[N@@H+]2CCCC(=O)CC2)c(O)c1 ZINC001140952031 960757162 /nfs/dbraw/zinc/75/71/62/960757162.db2.gz CBFBRITZQXPOCE-UHFFFAOYSA-N 1 0 233.311 2.256 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)c1 ZINC001140957801 960758541 /nfs/dbraw/zinc/75/85/41/960758541.db2.gz OCDDOKXXQFIQBP-UKRRQHHQSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(O)c1 ZINC001140950790 960764171 /nfs/dbraw/zinc/76/41/71/960764171.db2.gz JASUOLLAJKWHBS-HNNXBMFYSA-N 1 0 247.338 2.456 20 10 BECDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141156074 960890229 /nfs/dbraw/zinc/89/02/29/960890229.db2.gz DTPQJVNMAWUJSD-PSASIEDQSA-N 1 0 225.263 2.030 20 10 BECDRO C[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141155855 960890980 /nfs/dbraw/zinc/89/09/80/960890980.db2.gz MTILXIFCTDPWOB-SECBINFHSA-N 1 0 207.273 2.082 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCCC23CC3)c1 ZINC001141155764 960893347 /nfs/dbraw/zinc/89/33/47/960893347.db2.gz JAVDYLUZNRDWJC-UHFFFAOYSA-N 1 0 219.284 2.226 20 10 BECDRO COCCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840871434 961220198 /nfs/dbraw/zinc/22/01/98/961220198.db2.gz CNAQUGQHRUMKHJ-UHFFFAOYSA-N 1 0 243.734 2.480 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1C ZINC000402008998 961703931 /nfs/dbraw/zinc/70/39/31/961703931.db2.gz APBFRICPYWRHME-YPMHNXCESA-N 1 0 235.327 2.271 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@H](F)C1 ZINC000689887739 963880945 /nfs/dbraw/zinc/88/09/45/963880945.db2.gz VIADRDFTCMFPKP-NSHDSACASA-N 1 0 209.264 2.326 20 10 BECDRO COc1ccc(O)c(C[NH2+]C2(C3CC3)CC2)c1 ZINC000697412966 963915243 /nfs/dbraw/zinc/91/52/43/963915243.db2.gz KTKHGBOTQHBEFI-UHFFFAOYSA-N 1 0 233.311 2.433 20 10 BECDRO Oc1ccccc1CNc1cc2cc[nH]c2cn1 ZINC000621431065 963917037 /nfs/dbraw/zinc/91/70/37/963917037.db2.gz JOYXJNGOCKIWCD-UHFFFAOYSA-N 1 0 239.278 2.303 20 10 BECDRO Nc1ccc(Nc2ccc(OCC[NH3+])cc2)cc1 ZINC001159686348 964154068 /nfs/dbraw/zinc/15/40/68/964154068.db2.gz HFVZDWIJLKBZMB-UHFFFAOYSA-N 1 0 243.310 2.350 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2)c(O)c1 ZINC000042545120 964827519 /nfs/dbraw/zinc/82/75/19/964827519.db2.gz AQDJKZBSGSBENA-VXGBXAGGSA-N 1 0 234.343 2.055 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000042545710 964828609 /nfs/dbraw/zinc/82/86/09/964828609.db2.gz NFPRXPDSDMQKHV-OCCSQVGLSA-N 1 0 247.386 2.107 20 10 BECDRO CNc1ccccc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162404505 964962202 /nfs/dbraw/zinc/96/22/02/964962202.db2.gz NOKREHOMNQYJCY-QWRGUYRKSA-N 1 0 219.332 2.410 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000224886189 965197766 /nfs/dbraw/zinc/19/77/66/965197766.db2.gz OTBOHBLBBRMDBC-JSGCOSHPSA-N 1 0 248.370 2.273 20 10 BECDRO CNc1ccccc1N[C@@H](C)C[NH+](C)C ZINC001163782557 965584833 /nfs/dbraw/zinc/58/48/33/965584833.db2.gz LFUPTZSNWLCRFU-JTQLQIEISA-N 1 0 207.321 2.090 20 10 BECDRO COc1ccc(N2CC[C@@H]([NH3+])C2)c2ccccc12 ZINC001164282618 965829070 /nfs/dbraw/zinc/82/90/70/965829070.db2.gz ZOXOHUUUANRKHI-LLVKDONJSA-N 1 0 242.322 2.386 20 10 BECDRO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000699773175 966080603 /nfs/dbraw/zinc/08/06/03/966080603.db2.gz GBBZOVUWLIHJKY-JLLWLGSASA-N 1 0 233.311 2.004 20 10 BECDRO Cc1nccnc1C[NH2+][C@H](C)c1ccccc1O ZINC000699949094 966262752 /nfs/dbraw/zinc/26/27/52/966262752.db2.gz ZTQWMCAJOZKNIU-SNVBAGLBSA-N 1 0 243.310 2.341 20 10 BECDRO CC(C)(C)c1ccc(O)c(CN2CC[C@H]([NH3+])C2)c1 ZINC001236172613 966292402 /nfs/dbraw/zinc/29/24/02/966292402.db2.gz IGCFZAUULPCVDM-ZDUSSCGKSA-N 1 0 248.370 2.223 20 10 BECDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001236807301 966546764 /nfs/dbraw/zinc/54/67/64/966546764.db2.gz FQCNBTHZNDNRBP-PHIMTYICSA-N 1 0 233.311 2.161 20 10 BECDRO Cc1cc(O)c(CN(C)C[C@H](C)[NH3+])cc1Cl ZINC001236905132 966612128 /nfs/dbraw/zinc/61/21/28/966612128.db2.gz YFUVRRMVWLXWQY-VIFPVBQESA-N 1 0 242.750 2.133 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CCC1=O ZINC001203550138 966680124 /nfs/dbraw/zinc/68/01/24/966680124.db2.gz JIHDMFGMOXKPCN-LLVKDONJSA-N 1 0 233.311 2.193 20 10 BECDRO CC[N@H+](C)C1CCN(Cc2ccccc2O)CC1 ZINC001203561357 966688470 /nfs/dbraw/zinc/68/84/70/966688470.db2.gz SEFXLWMIUFIRJD-UHFFFAOYSA-N 1 0 248.370 2.308 20 10 BECDRO CCN(CC[NH+]1CCCC1)Cc1ccccc1O ZINC001203556592 966689343 /nfs/dbraw/zinc/68/93/43/966689343.db2.gz VAEYYGUKKORPMS-UHFFFAOYSA-N 1 0 248.370 2.310 20 10 BECDRO COc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)c(O)c1 ZINC001203621318 966708863 /nfs/dbraw/zinc/70/88/63/966708863.db2.gz SZMHHCCHOKYUQV-MWLCHTKSSA-N 1 0 239.290 2.333 20 10 BECDRO Oc1ccc(Cl)cc1C[NH+]1CC=CC1 ZINC001203651461 966722369 /nfs/dbraw/zinc/72/23/69/966722369.db2.gz PHYRMLAFYDFJHC-UHFFFAOYSA-N 1 0 209.676 2.417 20 10 BECDRO COc1ccc(O)c(C[NH+]2CC3(CCC3)C2)c1 ZINC001203670302 966732553 /nfs/dbraw/zinc/73/25/53/966732553.db2.gz MQXGDNBDWRUKEL-UHFFFAOYSA-N 1 0 233.311 2.387 20 10 BECDRO Oc1ccc(C[NH+]2CCC3(CC3)CC2)cc1O ZINC001203875894 966806804 /nfs/dbraw/zinc/80/68/04/966806804.db2.gz YBTHRGQWQNHAAG-UHFFFAOYSA-N 1 0 233.311 2.474 20 10 BECDRO C[N@H+](CCC1CC1)Cc1ccc(O)c(O)c1 ZINC001203878499 966807282 /nfs/dbraw/zinc/80/72/82/966807282.db2.gz AKHZVBDVELQRJV-UHFFFAOYSA-N 1 0 221.300 2.330 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)C2(CC2)C1 ZINC001203881643 966809774 /nfs/dbraw/zinc/80/97/74/966809774.db2.gz SBXLCVSTRNGEGD-SNVBAGLBSA-N 1 0 233.311 2.472 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCOC3(CC3)C2)cc1 ZINC001203937139 966824797 /nfs/dbraw/zinc/82/47/97/966824797.db2.gz MJASMFWVHFQXPP-UHFFFAOYSA-N 1 0 246.354 2.117 20 10 BECDRO CN(C)c1ccc(C[NH+]2CC3(CSC3)C2)cc1 ZINC001203937184 966825538 /nfs/dbraw/zinc/82/55/38/966825538.db2.gz OTUUCDLVXCICKB-UHFFFAOYSA-N 1 0 248.395 2.301 20 10 BECDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204275345 966951657 /nfs/dbraw/zinc/95/16/57/966951657.db2.gz OUSFQKYNESQLLF-LLVKDONJSA-N 1 0 221.300 2.472 20 10 BECDRO C[N@H+](Cc1cccnc1)Cc1ccc(O)cc1O ZINC001204273127 966956032 /nfs/dbraw/zinc/95/60/32/966956032.db2.gz ZBRJIWCEDKHJEU-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO c1cc(N2CCCC2)ccc1C[NH+]1CCC1 ZINC001204319904 966972239 /nfs/dbraw/zinc/97/22/39/966972239.db2.gz IEIBGGRIDIQFSS-UHFFFAOYSA-N 1 0 216.328 2.493 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCc2ccncc2C1 ZINC001203556507 966974630 /nfs/dbraw/zinc/97/46/30/966974630.db2.gz RECYGSKTOZKRSR-UHFFFAOYSA-N 1 0 240.306 2.346 20 10 BECDRO Cc1nn(C)cc1-c1nccc2c1ccn2C ZINC001240299821 967509981 /nfs/dbraw/zinc/50/99/81/967509981.db2.gz UCSDQQKICBHGRB-UHFFFAOYSA-N 1 0 226.283 2.282 20 10 BECDRO CC[N@H+](Cc1cnoc1)Cc1ccccc1O ZINC001205724727 967801875 /nfs/dbraw/zinc/80/18/75/967801875.db2.gz XZSQESFWROGEDW-UHFFFAOYSA-N 1 0 232.283 2.402 20 10 BECDRO C[C@@H]1C[N@H+](Cc2c([O-])cccc2F)CCCO1 ZINC001137831740 967823080 /nfs/dbraw/zinc/82/30/80/967823080.db2.gz LQNGSLFKTIGBGZ-SNVBAGLBSA-N 1 0 239.290 2.142 20 10 BECDRO Nc1ccc(NC(=O)[C@H]([NH3+])C2CCCCC2)cc1 ZINC001118256583 968095880 /nfs/dbraw/zinc/09/58/80/968095880.db2.gz YCLXYPWNSVYTIM-CYBMUJFWSA-N 1 0 247.342 2.115 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1O ZINC000691409253 968643584 /nfs/dbraw/zinc/64/35/84/968643584.db2.gz BWHUEHNHPVGANS-ZIAGYGMSSA-N 1 0 247.338 2.358 20 10 BECDRO Oc1cccc2c1C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC001208883691 969273438 /nfs/dbraw/zinc/27/34/38/969273438.db2.gz XQPRTFBNFRTNCH-ZDUSSCGKSA-N 1 0 245.322 2.443 20 10 BECDRO C[C@@H]1C[C@H]1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001209434348 969509722 /nfs/dbraw/zinc/50/97/22/969509722.db2.gz YBIGTXODZKBKGT-PWSUYJOCSA-N 1 0 217.312 2.406 20 10 BECDRO Cc1cc(C)c(C[NH2+][C@@H]2CCCOC2)c(O)c1 ZINC001254370751 969584655 /nfs/dbraw/zinc/58/46/55/969584655.db2.gz VTIYLBVSYABTKN-GFCCVEGCSA-N 1 0 235.327 2.278 20 10 BECDRO CCc1cccc(C[NH2+]C2CCC(O)CC2)c1O ZINC000691459647 969960171 /nfs/dbraw/zinc/96/01/71/969960171.db2.gz LMQFFYFQCXHYTG-UHFFFAOYSA-N 1 0 249.354 2.348 20 10 BECDRO CCc1cccc(C[NH2+]C[C@@H]2CCCO2)c1O ZINC000691494836 970032420 /nfs/dbraw/zinc/03/24/20/970032420.db2.gz PDVFOHLHZBVACW-ZDUSSCGKSA-N 1 0 235.327 2.223 20 10 BECDRO COc1c[nH+]ccc1Nc1cc(F)ccc1O ZINC001211260232 970202360 /nfs/dbraw/zinc/20/23/60/970202360.db2.gz JSEVVOKGGTVCAR-UHFFFAOYSA-N 1 0 234.230 2.100 20 10 BECDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000304068932 970550201 /nfs/dbraw/zinc/55/02/01/970550201.db2.gz UVDRZHUWBATOEY-BXUZGUMPSA-N 1 0 249.354 2.118 20 10 BECDRO C[N@@H+](Cc1c(O)cc(O)cc1O)CC1CCC1 ZINC001144509124 972856736 /nfs/dbraw/zinc/85/67/36/972856736.db2.gz LLPJTXCYANMYKX-UHFFFAOYSA-N 1 0 237.299 2.035 20 10 BECDRO CC1(C)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509018 972857470 /nfs/dbraw/zinc/85/74/70/972857470.db2.gz HRUKSWZLFVUGOZ-UHFFFAOYSA-N 1 0 237.299 2.035 20 10 BECDRO CCOc1ccc(N2CC3(C2)CC[N@H+](C)C3)cc1 ZINC001276926343 973301973 /nfs/dbraw/zinc/30/19/73/973301973.db2.gz RGAMYONHFZKWGE-UHFFFAOYSA-N 1 0 246.354 2.227 20 10 BECDRO COc1ccc(N2CCC3(C[NH+](C)C3)CC2)cc1 ZINC001276924462 973304881 /nfs/dbraw/zinc/30/48/81/973304881.db2.gz KOQAJVIPPXGATN-UHFFFAOYSA-N 1 0 246.354 2.227 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1C[C@H](O)C1 ZINC001329590263 973842256 /nfs/dbraw/zinc/84/22/56/973842256.db2.gz NRUGFAWPMTZSOX-BJDJZHNGSA-N 1 0 247.338 2.362 20 10 BECDRO CNc1ccccc1NC[C@@H]1CCCC[NH2+]1 ZINC001171335910 973883191 /nfs/dbraw/zinc/88/31/91/973883191.db2.gz USXDLDZGJMWZOA-NSHDSACASA-N 1 0 219.332 2.282 20 10 BECDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC001331074200 974585945 /nfs/dbraw/zinc/58/59/45/974585945.db2.gz ALWCKANFOLSFGU-OLZOCXBDSA-N 1 0 235.327 2.358 20 10 BECDRO CC(C)([NH3+])CNCc1ccc(N2CCCC2)cc1 ZINC001331420433 974712113 /nfs/dbraw/zinc/71/21/13/974712113.db2.gz XTLRHDAQAKHWPT-UHFFFAOYSA-N 1 0 247.386 2.114 20 10 BECDRO Cc1cccc(Nc2cc[nH+]cc2)c1O ZINC001173882160 975929952 /nfs/dbraw/zinc/92/99/52/975929952.db2.gz BEQAUSNEFPEYQC-UHFFFAOYSA-N 1 0 200.241 2.261 20 10 BECDRO Cc1ccc(O)c(Nc2cc[nH+]cc2)c1 ZINC001173883449 975956029 /nfs/dbraw/zinc/95/60/29/975956029.db2.gz PSBBFBJWOMFEHY-UHFFFAOYSA-N 1 0 200.241 2.261 20 10 BECDRO CC(=O)c1cccc(Nc2cc[nH+]cc2)c1O ZINC001173883497 975958086 /nfs/dbraw/zinc/95/80/86/975958086.db2.gz QRLOTRCIXGSKGN-UHFFFAOYSA-N 1 0 228.251 2.155 20 10 BECDRO CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(N)cc1 ZINC001334775506 976645501 /nfs/dbraw/zinc/64/55/01/976645501.db2.gz ZXEDAZMKCWCHBW-CQSZACIVSA-N 1 0 235.375 2.074 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c1O ZINC001231591256 977637846 /nfs/dbraw/zinc/63/78/46/977637846.db2.gz XGSHXRDQVNZRHS-DOMZBBRYSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[NH+]2CCC3(COC3)CC2)c1O ZINC001231591266 977641511 /nfs/dbraw/zinc/64/15/11/977641511.db2.gz XOXCCUBXHFDSFM-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001231594178 977641559 /nfs/dbraw/zinc/64/15/59/977641559.db2.gz VOPOFHXMOOPRHP-XYYAHUGASA-N 1 0 235.302 2.348 20 10 BECDRO Cc1cccc(C[NH+]2CC3(CSC3)C2)c1O ZINC001231595310 977642843 /nfs/dbraw/zinc/64/28/43/977642843.db2.gz WAVHAOWAWVNXRT-UHFFFAOYSA-N 1 0 235.352 2.249 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c1O ZINC001231591221 977642923 /nfs/dbraw/zinc/64/29/23/977642923.db2.gz WOQOBXUWQLDYGS-BXUZGUMPSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1O ZINC001231591629 977643158 /nfs/dbraw/zinc/64/31/58/977643158.db2.gz IXWWLLWEWPGZRF-HNNXBMFYSA-N 1 0 247.338 2.456 20 10 BECDRO COc1cc(C[NH+]2CCCCC2)c(O)cc1O ZINC001231632635 977652293 /nfs/dbraw/zinc/65/22/93/977652293.db2.gz BXDHUNWZLUVJEJ-UHFFFAOYSA-N 1 0 237.299 2.092 20 10 BECDRO COc1cc(C[NH+]2CC3(CCC3)C2)c(O)cc1O ZINC001231633605 977655976 /nfs/dbraw/zinc/65/59/76/977655976.db2.gz QIHZURWZJLRHOE-UHFFFAOYSA-N 1 0 249.310 2.092 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC001231841941 977758551 /nfs/dbraw/zinc/75/85/51/977758551.db2.gz JWSPVUBEJOFHHS-ZDUSSCGKSA-N 1 0 249.354 2.213 20 10 BECDRO CCOC1C[NH+](Cc2c(C)cc(C)cc2O)C1 ZINC001231843400 977759388 /nfs/dbraw/zinc/75/93/88/977759388.db2.gz YAIAZAYZAHJAKY-UHFFFAOYSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC001231845613 977760036 /nfs/dbraw/zinc/76/00/36/977760036.db2.gz CYVWGMMWOVJRKJ-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCCOCC2)c(O)c1 ZINC001231841908 977761933 /nfs/dbraw/zinc/76/19/33/977761933.db2.gz GQGHHCYDUODIAX-UHFFFAOYSA-N 1 0 235.327 2.231 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001231843835 977763520 /nfs/dbraw/zinc/76/35/20/977763520.db2.gz GWLPDDFRTBFRSI-BETUJISGSA-N 1 0 247.338 2.087 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CC[C@H](N(C)C)C2)c(O)c1 ZINC001231841561 977764933 /nfs/dbraw/zinc/76/49/33/977764933.db2.gz FHFQYEOCEXARAM-ZDUSSCGKSA-N 1 0 248.370 2.145 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CC[C@H](O)C[C@H]2C)c(O)c1 ZINC001231845550 977765231 /nfs/dbraw/zinc/76/52/31/977765231.db2.gz AEIHVOHXBBFXOI-OLZOCXBDSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCOC3(CC3)C2)c(O)c1 ZINC001231851088 977768353 /nfs/dbraw/zinc/76/83/53/977768353.db2.gz ZPEWNSMULFRPOJ-UHFFFAOYSA-N 1 0 247.338 2.374 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)C2)c(O)c1 ZINC001232836242 978309348 /nfs/dbraw/zinc/30/93/48/978309348.db2.gz MHSQDJWTTVDSEI-LLVKDONJSA-N 1 0 238.306 2.002 20 10 BECDRO Oc1cc(C[N@@H+]2CCCCC23CC3)cc(O)c1O ZINC001233017457 978411277 /nfs/dbraw/zinc/41/12/77/978411277.db2.gz WLXGTIBSLGZCFM-UHFFFAOYSA-N 1 0 249.310 2.322 20 10 BECDRO Oc1cc(C[NH+]2CCC3(CC3)CC2)cc(O)c1O ZINC001233014664 978416037 /nfs/dbraw/zinc/41/60/37/978416037.db2.gz XAEGEONHAQADFQ-UHFFFAOYSA-N 1 0 249.310 2.179 20 10 BECDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)C1CCCC1 ZINC001233013646 978416210 /nfs/dbraw/zinc/41/62/10/978416210.db2.gz RJHRBDAGBCYJBG-UHFFFAOYSA-N 1 0 237.299 2.178 20 10 BECDRO C[N@H+](Cc1cc(O)c(O)cc1O)C(C)(C)C ZINC001233485089 978610357 /nfs/dbraw/zinc/61/03/57/978610357.db2.gz INRBLLUCKQCTRO-UHFFFAOYSA-N 1 0 225.288 2.034 20 10 BECDRO CCC[N@H+](CC)Cc1cc(O)c(O)cc1O ZINC001233482325 978610862 /nfs/dbraw/zinc/61/08/62/978610862.db2.gz JMPQAVIVHDZWLX-UHFFFAOYSA-N 1 0 225.288 2.035 20 10 BECDRO C[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482321 978611214 /nfs/dbraw/zinc/61/12/14/978611214.db2.gz JHBBLIWTEMAULC-VIFPVBQESA-N 1 0 237.299 2.035 20 10 BECDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1O ZINC001233482465 978611379 /nfs/dbraw/zinc/61/13/79/978611379.db2.gz OPWKWKCKAIVDSL-AOOOYVTPSA-N 1 0 249.310 2.035 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000070346886 978831690 /nfs/dbraw/zinc/83/16/90/978831690.db2.gz PKJCCFZFZLSVQF-OCCSQVGLSA-N 1 0 248.370 2.410 20 10 BECDRO COc1cccc(C[NH+]2CCC(F)CC2)c1O ZINC000689910716 979069323 /nfs/dbraw/zinc/06/93/23/979069323.db2.gz ZUDJEFZUPPRUCI-UHFFFAOYSA-N 1 0 239.290 2.335 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)c1 ZINC001181410509 979080088 /nfs/dbraw/zinc/08/00/88/979080088.db2.gz NDJUHDKDUCIMOM-OAHLLOKOSA-N 1 0 249.354 2.472 20 10 BECDRO CC[C@H]1CNCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001235770704 979149963 /nfs/dbraw/zinc/14/99/63/979149963.db2.gz GPHKGJNPYBXEON-ZDUSSCGKSA-N 1 0 248.370 2.193 20 10 BECDRO CCC[C@H]1CN(Cc2c(C)cccc2O)CC[NH2+]1 ZINC001236178771 979440605 /nfs/dbraw/zinc/44/06/05/979440605.db2.gz KUNVXYDABUDJGU-ZDUSSCGKSA-N 1 0 248.370 2.275 20 10 BECDRO CCc1ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(O)c1 ZINC001236578878 979649344 /nfs/dbraw/zinc/64/93/44/979649344.db2.gz JPFVINVJHAXNDR-VXGBXAGGSA-N 1 0 248.370 2.137 20 10 BECDRO CCc1ccc(C[NH+]2CC([C@H](C)OC)C2)c(O)c1 ZINC001236788911 979727248 /nfs/dbraw/zinc/72/72/48/979727248.db2.gz SRSWXAHGYDVECJ-NSHDSACASA-N 1 0 249.354 2.421 20 10 BECDRO CCc1ccc(C[N@H+](C)CC2(C)COC2)c(O)c1 ZINC001236791054 979734747 /nfs/dbraw/zinc/73/47/47/979734747.db2.gz CCXZVCGHNSSBAF-UHFFFAOYSA-N 1 0 249.354 2.423 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c(O)c1 ZINC001236785096 979734859 /nfs/dbraw/zinc/73/48/59/979734859.db2.gz FJTMIOKXWYTBNH-UKRRQHHQSA-N 1 0 247.338 2.318 20 10 BECDRO COc1cc(O)c(C[NH+]2CCC2)c(Cl)c1 ZINC001236803663 979739688 /nfs/dbraw/zinc/73/96/88/979739688.db2.gz NTAHTMMJLMZIFX-UHFFFAOYSA-N 1 0 227.691 2.260 20 10 BECDRO C[NH+](C)Cc1c(O)ccc(F)c1Cl ZINC001237120071 979821582 /nfs/dbraw/zinc/82/15/82/979821582.db2.gz ILLGDPMQXYIHOF-UHFFFAOYSA-N 1 0 203.644 2.246 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@](C)(O)C1 ZINC001237486216 979911858 /nfs/dbraw/zinc/91/18/58/979911858.db2.gz YHTVYSDIDAXXTB-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001237490754 979916047 /nfs/dbraw/zinc/91/60/47/979916047.db2.gz ATOJHZBLULCMGU-NWDGAFQWSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001237486987 979916343 /nfs/dbraw/zinc/91/63/43/979916343.db2.gz FECMEWYKCSQSEX-TXEJJXNPSA-N 1 0 245.322 2.112 20 10 BECDRO CO[C@@H](C)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC001237494404 979919994 /nfs/dbraw/zinc/91/99/94/979919994.db2.gz HYNXWFQVRQTDFP-NSHDSACASA-N 1 0 235.327 2.167 20 10 BECDRO CN1CCOc2cc(C3=CCC[NH2+]CC3)ccc21 ZINC001238942049 980381776 /nfs/dbraw/zinc/38/17/76/980381776.db2.gz XHEFLZAXGTYCGI-UHFFFAOYSA-N 1 0 244.338 2.282 20 10 BECDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001345106368 980551350 /nfs/dbraw/zinc/55/13/50/980551350.db2.gz YIAOOQPGMWSHHB-OLZOCXBDSA-N 1 0 247.386 2.112 20 10 BECDRO Cc1cc(N(C)C)ccc1CNc1cc[nH+]cc1 ZINC001347783483 981172622 /nfs/dbraw/zinc/17/26/22/981172622.db2.gz FKUXVQBMMMMFPF-UHFFFAOYSA-N 1 0 241.338 2.490 20 10 BECDRO C[C@@]1(CF)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874734 982548181 /nfs/dbraw/zinc/54/81/81/982548181.db2.gz CEEKQLANYZMXTQ-ZDUSSCGKSA-N 1 0 239.290 2.279 20 10 BECDRO COCC1(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000691805904 983793200 /nfs/dbraw/zinc/79/32/00/983793200.db2.gz HJDOGOBUWPWGLH-LLVKDONJSA-N 1 0 235.327 2.469 20 10 BECDRO Cc1ccc(C)n1-c1ccc(C2=CC[NH2+]C2)cn1 ZINC001243111399 984572204 /nfs/dbraw/zinc/57/22/04/984572204.db2.gz QDVKWSOOSWAMOW-UHFFFAOYSA-N 1 0 239.322 2.476 20 10 BECDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2O)[C@H](C)O1 ZINC000686515628 985124659 /nfs/dbraw/zinc/12/46/59/985124659.db2.gz UFHCTCKLYODDPQ-NTZNESFSSA-N 1 0 235.327 2.295 20 10 BECDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000687213442 985270505 /nfs/dbraw/zinc/27/05/05/985270505.db2.gz WABOOYGSNSVHGW-DGCLKSJQSA-N 1 0 235.327 2.392 20 10 BECDRO CO[C@H](C[NH2+]Cc1ccc(N)cc1)C(C)(C)C ZINC001578912403 985513620 /nfs/dbraw/zinc/51/36/20/985513620.db2.gz FVYBYHVSZNQLOD-CYBMUJFWSA-N 1 0 236.359 2.420 20 10 BECDRO C/C=C(\NC=[NH2+])c1ccc2c(c1)OCCN2C ZINC001243941112 985612103 /nfs/dbraw/zinc/61/21/03/985612103.db2.gz ZBGBCBARADBICT-JYOAFUTRSA-N 1 0 231.299 2.073 20 10 BECDRO O=c1ccc(C[N@@H+]2Cc3cccc(O)c3C2)c[nH]1 ZINC001462520714 986414495 /nfs/dbraw/zinc/41/44/95/986414495.db2.gz MNGPBMMRKLXICK-UHFFFAOYSA-N 1 0 242.278 2.009 20 10 BECDRO Nc1ccc(C[NH2+]C2(CCO)CCCCC2)cc1 ZINC001580445498 986852409 /nfs/dbraw/zinc/85/24/09/986852409.db2.gz GWXCBTGCBXHLNF-UHFFFAOYSA-N 1 0 248.370 2.444 20 10 BECDRO Nc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC001580447051 986852815 /nfs/dbraw/zinc/85/28/15/986852815.db2.gz OYJQAVGRDSHQQJ-NXEZZACHSA-N 1 0 230.233 2.309 20 10 BECDRO Nc1ccc(C[NH2+]C[C@@H]2CCCS2)cc1 ZINC001580445587 986854098 /nfs/dbraw/zinc/85/40/98/986854098.db2.gz LMIDAQUMBORPRC-LBPRGKRZSA-N 1 0 222.357 2.254 20 10 BECDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000694325411 987324453 /nfs/dbraw/zinc/32/44/53/987324453.db2.gz WAAACIRLDDBTFD-QKCSRTOESA-N 1 0 233.311 2.147 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H](C)CN ZINC001325756131 989255535 /nfs/dbraw/zinc/25/55/35/989255535.db2.gz QCAPTHDKOBVPQG-HBNTYKKESA-N 1 0 234.343 2.186 20 10 BECDRO CC[C@@H]([NH3+])CNCc1ccc(N2CCCC2)cc1 ZINC001326077384 989364392 /nfs/dbraw/zinc/36/43/92/989364392.db2.gz WFKYNFCPTSNTHE-CQSZACIVSA-N 1 0 247.386 2.114 20 10 BECDRO Nc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC001120269573 989623949 /nfs/dbraw/zinc/62/39/49/989623949.db2.gz UIFMHHKVSBTSKZ-UHFFFAOYSA-N 1 0 246.354 2.271 20 10 BECDRO Nc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC001120370806 989641628 /nfs/dbraw/zinc/64/16/28/989641628.db2.gz FUYLXGFPSSAFNF-RBSFLKMASA-N 1 0 246.354 2.316 20 10 BECDRO Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC001120370808 989642923 /nfs/dbraw/zinc/64/29/23/989642923.db2.gz FUYLXGFPSSAFNF-ZNMIVQPWSA-N 1 0 246.354 2.316 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC001308580076 991048588 /nfs/dbraw/zinc/04/85/88/991048588.db2.gz MJPQVKXPCACNFQ-ZDUSSCGKSA-N 1 0 235.327 2.082 20 10 BECDRO CCC1(C[N@H+](C)Cc2ccccc2O)COC1 ZINC001202963658 991339959 /nfs/dbraw/zinc/33/99/59/991339959.db2.gz DECGHOBOXNREHZ-UHFFFAOYSA-N 1 0 235.327 2.251 20 10 BECDRO C[C@H](CC1CC1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258450032 991397459 /nfs/dbraw/zinc/39/74/59/991397459.db2.gz CTWFWFAWLOOICH-SNVBAGLBSA-N 1 0 235.327 2.419 20 10 BECDRO C[C@H](CC1CC1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258454154 991405789 /nfs/dbraw/zinc/40/57/89/991405789.db2.gz FNTOTSZHNJXYHE-SECBINFHSA-N 1 0 249.310 2.059 20 10 BECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1F ZINC001140057715 991510783 /nfs/dbraw/zinc/51/07/83/991510783.db2.gz LBWNNQDNCXTSNO-KCJUWKMLSA-N 1 0 227.254 2.321 20 10 BECDRO C[N@@H+](Cc1ccc(N)cc1)C[C@@H]1CCCCO1 ZINC000036231130 991543585 /nfs/dbraw/zinc/54/35/85/991543585.db2.gz ZLUDKOHGCWNPHC-AWEZNQCLSA-N 1 0 234.343 2.270 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CCOC[C@H]2C)c1O ZINC001140178509 991550512 /nfs/dbraw/zinc/55/05/12/991550512.db2.gz NDCFIRHVGRZKBA-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCCC[C@H]2CO)c1O ZINC001140179202 991550877 /nfs/dbraw/zinc/55/08/77/991550877.db2.gz BSVMJTDEPLVBDB-ZDUSSCGKSA-N 1 0 249.354 2.356 20 10 BECDRO CO[C@H](C)C1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140185223 991557099 /nfs/dbraw/zinc/55/70/99/991557099.db2.gz SSMVZKBOEYATBZ-GFCCVEGCSA-N 1 0 249.354 2.476 20 10 BECDRO C[N@H+](CCCCO)Cc1ccc(Cl)cc1O ZINC001560759943 991587707 /nfs/dbraw/zinc/58/77/07/991587707.db2.gz QYBJTDAKRVGGEE-UHFFFAOYSA-N 1 0 243.734 2.250 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1O ZINC001560811562 991611434 /nfs/dbraw/zinc/61/14/34/991611434.db2.gz PENYBKZLBABDDT-RISCZKNCSA-N 1 0 249.354 2.157 20 10 BECDRO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC001140460988 991643520 /nfs/dbraw/zinc/64/35/20/991643520.db2.gz AJPAJJOHOFKPMM-LLVKDONJSA-N 1 0 241.718 2.002 20 10 BECDRO COCC[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140461000 991644546 /nfs/dbraw/zinc/64/45/46/991644546.db2.gz AUVYJZRHVJZJDM-UHFFFAOYSA-N 1 0 229.707 2.124 20 10 BECDRO CC[N@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001320466152 992214032 /nfs/dbraw/zinc/21/40/32/992214032.db2.gz DUEJWQOERRQLMV-UHFFFAOYSA-N 1 0 248.370 2.101 20 10 BECDRO NC[C@H]([NH2+]Cc1ccc(N)cc1)C1CCCCC1 ZINC001262487904 992892976 /nfs/dbraw/zinc/89/29/76/992892976.db2.gz JVEGHDCRTMUZIO-HNNXBMFYSA-N 1 0 247.386 2.266 20 10 BECDRO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000389280230 993742757 /nfs/dbraw/zinc/74/27/57/993742757.db2.gz UJRUMNXYDMNSEF-AWEZNQCLSA-N 1 0 248.370 2.187 20 10 BECDRO C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1O ZINC000392625696 993875669 /nfs/dbraw/zinc/87/56/69/993875669.db2.gz GEHPNTAIJZMJMX-JTQLQIEISA-N 1 0 244.294 2.344 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCN(C)C ZINC000021968361 1170176125 /nfs/dbraw/zinc/17/61/25/1170176125.db2.gz DIZVRCMDNBKRSC-NWDGAFQWSA-N 1 0 248.370 2.400 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)[C@@H](C)O ZINC001615686621 1170529188 /nfs/dbraw/zinc/52/91/88/1170529188.db2.gz RSROWVGUFAHEBF-NWDGAFQWSA-N 1 0 237.343 2.374 20 10 BECDRO c1cc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)cc2c1OCC2 ZINC001621110060 1170716008 /nfs/dbraw/zinc/71/60/08/1170716008.db2.gz BWKKEHMITVNAID-GZBFAFLISA-N 1 0 245.322 2.031 20 10 BECDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001621449910 1170812591 /nfs/dbraw/zinc/81/25/91/1170812591.db2.gz FSQWCPCCNMOTCX-NEPJUHHUSA-N 1 0 241.718 2.313 20 10 BECDRO Oc1cc(Cl)ccc1C[NH2+]CC1CSC1 ZINC001621471058 1170819785 /nfs/dbraw/zinc/81/97/85/1170819785.db2.gz RMDYPWNLBLTSGG-UHFFFAOYSA-N 1 0 243.759 2.498 20 10 BECDRO Cc1cc(O)c(C[N@H+]2CCOC[C@@H](C)C2)cc1C ZINC000372230879 178195370 /nfs/dbraw/zinc/19/53/70/178195370.db2.gz HSZUFOCPQLZJRF-NSHDSACASA-N 1 0 249.354 2.477 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1C ZINC000289706376 178195679 /nfs/dbraw/zinc/19/56/79/178195679.db2.gz OTOFVAYDZKIEOM-ZIAGYGMSSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1C ZINC000188829740 178197377 /nfs/dbraw/zinc/19/73/77/178197377.db2.gz RPJVHIXYONRMCG-OCCSQVGLSA-N 1 0 249.354 2.260 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1C ZINC000189347875 178197665 /nfs/dbraw/zinc/19/76/65/178197665.db2.gz FMQGBMZMTDRNJS-ZIAGYGMSSA-N 1 0 249.354 2.258 20 10 BECDRO CC[C@H]([NH2+]CCCOC)c1ccccc1O ZINC000020142595 342971663 /nfs/dbraw/zinc/97/16/63/342971663.db2.gz XLGBGNGBGSLVPB-LBPRGKRZSA-N 1 0 223.316 2.469 20 10 BECDRO CO[C@@H](C[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000293735986 187242437 /nfs/dbraw/zinc/24/24/37/187242437.db2.gz VIAJOUJIRMKQKR-ZDUSSCGKSA-N 1 0 239.290 2.046 20 10 BECDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccccc1O ZINC000037153508 343336898 /nfs/dbraw/zinc/33/68/98/343336898.db2.gz GMCQOKTUFRXJMW-CYBMUJFWSA-N 1 0 248.370 2.356 20 10 BECDRO CC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879038 343456525 /nfs/dbraw/zinc/45/65/25/343456525.db2.gz CQNJEBYOVAVNMN-MRVPVSSYSA-N 1 0 223.272 2.009 20 10 BECDRO COC[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000044478600 343502169 /nfs/dbraw/zinc/50/21/69/343502169.db2.gz SKZFUNAGOWJFDH-GFCCVEGCSA-N 1 0 236.359 2.125 20 10 BECDRO COc1ccc(C[NH2+]CC2(O)CCCC2)cc1C ZINC000096478944 187288693 /nfs/dbraw/zinc/28/86/93/187288693.db2.gz QUQQPAZUWUYYPM-UHFFFAOYSA-N 1 0 249.354 2.398 20 10 BECDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168777559 187303306 /nfs/dbraw/zinc/30/33/06/187303306.db2.gz NJBVQGHAKUFJKF-TVQRCGJNSA-N 1 0 241.306 2.199 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)O)c(O)c1C ZINC000134899774 178889924 /nfs/dbraw/zinc/88/99/24/178889924.db2.gz XDDOVHDHPNBKKI-KOLCDFICSA-N 1 0 223.316 2.040 20 10 BECDRO Cc1cccc(C[NH+]2CC([C@H]3CCOC3)C2)c1O ZINC000366249386 179073583 /nfs/dbraw/zinc/07/35/83/179073583.db2.gz JUNVWCFJYBZLEO-ZDUSSCGKSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC000293824529 179075683 /nfs/dbraw/zinc/07/56/83/179075683.db2.gz AHASFLSNLFZREG-ZDUSSCGKSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1O ZINC000279713695 179076786 /nfs/dbraw/zinc/07/67/86/179076786.db2.gz SVEHVORUJIDYKR-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1O ZINC000179667202 179084495 /nfs/dbraw/zinc/08/44/95/179084495.db2.gz HOSUJZXIGHEXEK-PBWFPOADSA-N 1 0 247.338 2.188 20 10 BECDRO Cc1cccc(C[NH2+]CC2CCOCC2)c1O ZINC000124760080 179090186 /nfs/dbraw/zinc/09/01/86/179090186.db2.gz HYBQEEMUJXIYCF-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CCCCO2)c1O ZINC000124739054 179091305 /nfs/dbraw/zinc/09/13/05/179091305.db2.gz HUDAYLQNCHGOBB-ZDUSSCGKSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cccc(C[NH2+]CCCn2cccn2)c1O ZINC000135753805 179092232 /nfs/dbraw/zinc/09/22/32/179092232.db2.gz AIQSCWIHSCSIHA-UHFFFAOYSA-N 1 0 245.326 2.077 20 10 BECDRO Cc1cccc(C[NH2+]CCCn2ccnc2)c1O ZINC000083374217 179092799 /nfs/dbraw/zinc/09/27/99/179092799.db2.gz WQJBCIUVYAMEKS-UHFFFAOYSA-N 1 0 245.326 2.077 20 10 BECDRO Cc1cccc(C[NH2+]CCc2cccnc2)c1O ZINC000161122482 179092849 /nfs/dbraw/zinc/09/28/49/179092849.db2.gz QJMUEGMKEJANLO-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1O ZINC000289863767 179093260 /nfs/dbraw/zinc/09/32/60/179093260.db2.gz VMGLGBWIMILOOA-QWHCGFSZSA-N 1 0 249.354 2.463 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](CO)C2CCCC2)c1O ZINC000290966883 179097894 /nfs/dbraw/zinc/09/78/94/179097894.db2.gz SASPMFXLRBAPFH-AWEZNQCLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1O ZINC000124699592 179100463 /nfs/dbraw/zinc/10/04/63/179100463.db2.gz QNRHYCSKHREYFD-GFCCVEGCSA-N 1 0 245.326 2.075 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1O ZINC000294722023 179101819 /nfs/dbraw/zinc/10/18/19/179101819.db2.gz FPCGXMPSGIVOHC-LBPRGKRZSA-N 1 0 235.327 2.358 20 10 BECDRO CCN1CC[N@H+](Cc2cccc(C)c2O)[C@@H](C)C1 ZINC000289560479 352189852 /nfs/dbraw/zinc/18/98/52/352189852.db2.gz IYVPFPHSCZOUIJ-ZDUSSCGKSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000123535304 188016108 /nfs/dbraw/zinc/01/61/08/188016108.db2.gz XEBBZEAMOWJRLW-MNOVXSKESA-N 1 0 205.301 2.446 20 10 BECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000274408082 188028213 /nfs/dbraw/zinc/02/82/13/188028213.db2.gz CUYGQWPQSTZVOK-ISZGNANSSA-N 1 0 249.354 2.420 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCC[C@H](C)CO)c1 ZINC000230160731 188362489 /nfs/dbraw/zinc/36/24/89/188362489.db2.gz WYDOPYULGKEOSV-LBPRGKRZSA-N 1 0 237.343 2.199 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccccc1O)C(C)(C)O ZINC000292942440 359353672 /nfs/dbraw/zinc/35/36/72/359353672.db2.gz HZGPYMBDLTUSSN-GFCCVEGCSA-N 1 0 223.316 2.031 20 10 BECDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)C(C)(C)O ZINC000293613901 364693619 /nfs/dbraw/zinc/69/36/19/364693619.db2.gz KEFBMXWQJCZXCK-GFCCVEGCSA-N 1 0 241.306 2.170 20 10 BECDRO CC[N@@H+](Cc1ccccc1O)C[C@H](C)OC ZINC000291150551 364770992 /nfs/dbraw/zinc/77/09/92/364770992.db2.gz ZJPZNXWOYXAKMF-NSHDSACASA-N 1 0 223.316 2.249 20 10 BECDRO CC(C)OCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296576793 364784898 /nfs/dbraw/zinc/78/48/98/364784898.db2.gz VQFWQXZBXIINBQ-GFCCVEGCSA-N 1 0 235.327 2.394 20 10 BECDRO OCCCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000272965347 183044250 /nfs/dbraw/zinc/04/42/50/183044250.db2.gz QTWZSYIEXQGEDU-UHFFFAOYSA-N 1 0 249.354 2.377 20 10 BECDRO OC[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)CC1 ZINC000153141998 183123622 /nfs/dbraw/zinc/12/36/22/183123622.db2.gz XDEWQPDCEGWAST-BJHJDKERSA-N 1 0 235.327 2.033 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CF ZINC000293961245 183274637 /nfs/dbraw/zinc/27/46/37/183274637.db2.gz JNDQOEBQRCQMTC-NSHDSACASA-N 1 0 227.254 2.465 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000229417653 183275747 /nfs/dbraw/zinc/27/57/47/183275747.db2.gz AOAPASSDXFWEPA-VIFPVBQESA-N 1 0 241.331 2.374 20 10 BECDRO Oc1cccc(Cl)c1C[NH2+]CCF ZINC000280848129 183292824 /nfs/dbraw/zinc/29/28/24/183292824.db2.gz ZFPXKRPBCLCEGI-UHFFFAOYSA-N 1 0 203.644 2.105 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]C1CCOCC1)CC2 ZINC000295923151 183296673 /nfs/dbraw/zinc/29/66/73/183296673.db2.gz JUGPOJXZPMJNBU-LBPRGKRZSA-N 1 0 233.311 2.148 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCCO1)CC2 ZINC000295939079 183297099 /nfs/dbraw/zinc/29/70/99/183297099.db2.gz KTUUCZHGLYYODG-NEPJUHHUSA-N 1 0 233.311 2.148 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CC1CC1)CC2 ZINC000295928723 183297327 /nfs/dbraw/zinc/29/73/27/183297327.db2.gz KDWJBOXWKYOHRJ-NSHDSACASA-N 1 0 203.285 2.379 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CCC1(O)CCC1)CC2 ZINC000296241111 183297495 /nfs/dbraw/zinc/29/74/95/183297495.db2.gz AWACOSKVEIYYHI-LBPRGKRZSA-N 1 0 247.338 2.274 20 10 BECDRO Oc1ccccc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227339848 183303242 /nfs/dbraw/zinc/30/32/42/183303242.db2.gz VAWBIFHQNNAVOF-ZDUSSCGKSA-N 1 0 235.327 2.441 20 10 BECDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1ccccc1O ZINC000087358108 383828222 /nfs/dbraw/zinc/82/82/22/383828222.db2.gz NEVWYRKWBFCXHF-QWRGUYRKSA-N 1 0 223.316 2.204 20 10 BECDRO CCOCC[NH2+][C@@H](CC)c1ccccc1O ZINC000036228767 383889150 /nfs/dbraw/zinc/88/91/50/383889150.db2.gz JSCRYELUYRVLQM-LBPRGKRZSA-N 1 0 223.316 2.469 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000037738768 384003758 /nfs/dbraw/zinc/00/37/58/384003758.db2.gz ZGBAIHALKDLGLC-STQMWFEESA-N 1 0 248.370 2.440 20 10 BECDRO C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(N(C)C)cc1 ZINC000038087595 384067578 /nfs/dbraw/zinc/06/75/78/384067578.db2.gz BNTHOHRWAYGDTO-STQMWFEESA-N 1 0 249.402 2.353 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1 ZINC000038088024 384068343 /nfs/dbraw/zinc/06/83/43/384068343.db2.gz BBAARNRQHWOGSC-NEPJUHHUSA-N 1 0 236.359 2.301 20 10 BECDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000091772170 384143113 /nfs/dbraw/zinc/14/31/13/384143113.db2.gz PRPZQXXWOQPUNR-OAHLLOKOSA-N 1 0 248.370 2.363 20 10 BECDRO CC[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000132507919 384234895 /nfs/dbraw/zinc/23/48/95/384234895.db2.gz ZRVPLZLDIHUDNI-LBPRGKRZSA-N 1 0 221.300 2.003 20 10 BECDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618462 384305982 /nfs/dbraw/zinc/30/59/82/384305982.db2.gz WSNYXCBCLVAULI-UWVGGRQHSA-N 1 0 241.306 2.200 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(F)ccc1O ZINC000094617630 384307164 /nfs/dbraw/zinc/30/71/64/384307164.db2.gz KGWNBDVENJSAGH-NXEZZACHSA-N 1 0 239.290 2.218 20 10 BECDRO C[C@@H]([NH2+]CCn1ccnc1)c1cc(F)ccc1O ZINC000094617846 384307333 /nfs/dbraw/zinc/30/73/33/384307333.db2.gz XUJFASIECMZWSH-SNVBAGLBSA-N 1 0 249.289 2.079 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(F)ccc1O ZINC000094616770 384307815 /nfs/dbraw/zinc/30/78/15/384307815.db2.gz HKWNJFYQTKCCNE-KOLCDFICSA-N 1 0 239.290 2.361 20 10 BECDRO CC[C@@H]([NH2+]CC1(C)COC1)c1ccccc1O ZINC000094721898 384310118 /nfs/dbraw/zinc/31/01/18/384310118.db2.gz JFEJADUCHWFRHA-GFCCVEGCSA-N 1 0 235.327 2.469 20 10 BECDRO CCC[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297649156 384310677 /nfs/dbraw/zinc/31/06/77/384310677.db2.gz KCKVAJMVFZEAIR-NEPJUHHUSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@H]([NH2+]CC1(C)COC1)c1cc(F)ccc1O ZINC000094721962 384310953 /nfs/dbraw/zinc/31/09/53/384310953.db2.gz CDUUKUFILYQHRU-VIFPVBQESA-N 1 0 239.290 2.218 20 10 BECDRO C[C@@H]([NH2+]CCO)c1ccc(N2CCCCC2)cc1 ZINC000159712323 384352103 /nfs/dbraw/zinc/35/21/03/384352103.db2.gz GTGQRABUHCZYTH-CYBMUJFWSA-N 1 0 248.370 2.320 20 10 BECDRO C[C@H](CO)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134914603 384398691 /nfs/dbraw/zinc/39/86/91/384398691.db2.gz NPRHPLDBZJBAME-IUCAKERBSA-N 1 0 243.734 2.325 20 10 BECDRO CCC(O)(CC)C[NH2+]Cc1cc(C)ccc1O ZINC000078638566 384453283 /nfs/dbraw/zinc/45/32/83/384453283.db2.gz WHBUWNNEQUXNQW-UHFFFAOYSA-N 1 0 237.343 2.341 20 10 BECDRO C[N@@H+](Cc1ccccc1O)CC1CCOCC1 ZINC000096513990 384464781 /nfs/dbraw/zinc/46/47/81/384464781.db2.gz ODKWZJXNCLVTOG-UHFFFAOYSA-N 1 0 235.327 2.251 20 10 BECDRO CN(C)C1(C[N@H+](C)Cc2ccccc2O)CCC1 ZINC000097934044 384577464 /nfs/dbraw/zinc/57/74/64/384577464.db2.gz CRKLPZRYPDCDTC-UHFFFAOYSA-N 1 0 248.370 2.308 20 10 BECDRO CCN(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000049938121 384579411 /nfs/dbraw/zinc/57/94/11/384579411.db2.gz LOOPNUMZDNUJKR-UHFFFAOYSA-N 1 0 236.359 2.045 20 10 BECDRO CCN(CC)c1ccc(C[NH2+]CCCO)cc1 ZINC000020188507 384589767 /nfs/dbraw/zinc/58/97/67/384589767.db2.gz ZVVVSWJGDHVRHQ-UHFFFAOYSA-N 1 0 236.359 2.005 20 10 BECDRO COCC[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000162834413 384697663 /nfs/dbraw/zinc/69/76/63/384697663.db2.gz GRNFECDVJJDIBG-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000083461961 384773281 /nfs/dbraw/zinc/77/32/81/384773281.db2.gz KQVVSISHPJHXBP-GWCFXTLKSA-N 1 0 223.316 2.204 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)O)c(O)c1 ZINC000082993383 384734206 /nfs/dbraw/zinc/73/42/06/384734206.db2.gz VQYXCZZHHVCBJF-MNOVXSKESA-N 1 0 223.316 2.122 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)O)c(O)c1 ZINC000082993385 384734499 /nfs/dbraw/zinc/73/44/99/384734499.db2.gz VQYXCZZHHVCBJF-WDEREUQCSA-N 1 0 223.316 2.122 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)O)c1 ZINC000082992800 384734825 /nfs/dbraw/zinc/73/48/25/384734825.db2.gz LSVNJQALSNKPIT-MNOVXSKESA-N 1 0 223.316 2.122 20 10 BECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000126056097 384764679 /nfs/dbraw/zinc/76/46/79/384764679.db2.gz QCGMWZQAACEEOT-OAHLLOKOSA-N 1 0 248.370 2.267 20 10 BECDRO CCOc1ccc(O)c(C[N@H+](C)CC)c1 ZINC000126311745 384791813 /nfs/dbraw/zinc/79/18/13/384791813.db2.gz BRHKISBZUOMTDO-UHFFFAOYSA-N 1 0 209.289 2.243 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1O ZINC000186790428 384884497 /nfs/dbraw/zinc/88/44/97/384884497.db2.gz FTQQCDKBHHFZSZ-MPKXVKKWSA-N 1 0 235.327 2.346 20 10 BECDRO CCC[C@](C)(O)C[NH2+]Cc1ccccc1O ZINC000163994998 384895641 /nfs/dbraw/zinc/89/56/41/384895641.db2.gz IWGXXTQGVGOMGB-ZDUSSCGKSA-N 1 0 223.316 2.033 20 10 BECDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccccc1O ZINC000087197193 385083184 /nfs/dbraw/zinc/08/31/84/385083184.db2.gz BENQWQMNUVDKLB-SNVBAGLBSA-N 1 0 221.300 2.079 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1 ZINC000188847494 385098915 /nfs/dbraw/zinc/09/89/15/385098915.db2.gz FMKJNKFKJLUFHX-DZGCQCFKSA-N 1 0 248.370 2.003 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000189942244 385197751 /nfs/dbraw/zinc/19/77/51/385197751.db2.gz QYFNPGMYYINFRH-TZMCWYRMSA-N 1 0 249.354 2.341 20 10 BECDRO CC(C)(O)C[N@H+](Cc1ccccc1O)C1CC1 ZINC000189941388 385199927 /nfs/dbraw/zinc/19/99/27/385199927.db2.gz OXIZIBJDMGRLEE-UHFFFAOYSA-N 1 0 235.327 2.128 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(O)C2)c1 ZINC000129549837 385162392 /nfs/dbraw/zinc/16/23/92/385162392.db2.gz XRPZXIUSMOHKKR-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1C ZINC000129579779 385167051 /nfs/dbraw/zinc/16/70/51/385167051.db2.gz CTQUJXKNJWGVTF-KGLIPLIRSA-N 1 0 249.354 2.253 20 10 BECDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccccc1O ZINC000191660290 385312747 /nfs/dbraw/zinc/31/27/47/385312747.db2.gz XOVSICGDKBWJSJ-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO CC[C@]1(C)C[N@H+](Cc2ccccc2O)CCO1 ZINC000191148557 385286430 /nfs/dbraw/zinc/28/64/30/385286430.db2.gz JSBLLSAPXHMZCZ-CQSZACIVSA-N 1 0 235.327 2.393 20 10 BECDRO CO[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000191210522 385293130 /nfs/dbraw/zinc/29/31/30/385293130.db2.gz ZDJRDIJZURWGSH-BDAKNGLRSA-N 1 0 227.279 2.217 20 10 BECDRO CO[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000191206373 385293501 /nfs/dbraw/zinc/29/35/01/385293501.db2.gz HSHNDXZTHAETJO-GHMZBOCLSA-N 1 0 223.316 2.386 20 10 BECDRO CCC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168772854 385384979 /nfs/dbraw/zinc/38/49/79/385384979.db2.gz UPEJDQINQRGQLU-KOLCDFICSA-N 1 0 241.306 2.343 20 10 BECDRO CCC[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179577244 385476266 /nfs/dbraw/zinc/47/62/66/385476266.db2.gz DRSIGUHCTOYEFJ-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCSC1 ZINC000179928254 385500895 /nfs/dbraw/zinc/50/08/95/385500895.db2.gz BXPORSQPLSQJIK-NSHDSACASA-N 1 0 241.331 2.469 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)CCF)cc1 ZINC000269501309 385599390 /nfs/dbraw/zinc/59/93/90/385599390.db2.gz NBXONGWVRFMBKW-UHFFFAOYSA-N 1 0 210.296 2.154 20 10 BECDRO CC[C@H](O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000229966630 385694347 /nfs/dbraw/zinc/69/43/47/385694347.db2.gz WXLXODWVXDLBMN-MNOVXSKESA-N 1 0 223.316 2.122 20 10 BECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000189120142 385938037 /nfs/dbraw/zinc/93/80/37/385938037.db2.gz GEQOKRDZSQMVOY-QWRGUYRKSA-N 1 0 223.316 2.214 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CO)c(O)c1C ZINC000273399467 385994015 /nfs/dbraw/zinc/99/40/15/385994015.db2.gz MTAWWMCLWVFSGJ-JOYOIKCWSA-N 1 0 237.343 2.288 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1 ZINC000286335787 386027115 /nfs/dbraw/zinc/02/71/15/386027115.db2.gz DXKMNLPQRIXKJC-HUUCEWRRSA-N 1 0 248.370 2.098 20 10 BECDRO CC[C@H]([NH2+]CCN(C)C)c1ccc(C)cc1O ZINC000286903063 386084250 /nfs/dbraw/zinc/08/42/50/386084250.db2.gz DQVQWTCRIFEOIS-ZDUSSCGKSA-N 1 0 236.359 2.303 20 10 BECDRO C[C@H](CO)[N@@H+](Cc1ccccc1O)CC1CCC1 ZINC000289389211 386295926 /nfs/dbraw/zinc/29/59/26/386295926.db2.gz NIQDWKIRTPAYJQ-GFCCVEGCSA-N 1 0 249.354 2.375 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000226617584 386345329 /nfs/dbraw/zinc/34/53/29/386345329.db2.gz STTYLWNMTUXDOR-BXKDBHETSA-N 1 0 239.290 2.188 20 10 BECDRO CC(C)[C@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000226611751 386345577 /nfs/dbraw/zinc/34/55/77/386345577.db2.gz KPGLBSULRAJNER-LBPRGKRZSA-N 1 0 241.306 2.028 20 10 BECDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2O)o1 ZINC000265962882 386387041 /nfs/dbraw/zinc/38/70/41/386387041.db2.gz JKRJGFCOBOPYIX-ZDUSSCGKSA-N 1 0 247.294 2.117 20 10 BECDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccccc1O ZINC000227374952 386480672 /nfs/dbraw/zinc/48/06/72/386480672.db2.gz MPPDHRKDFGAYEO-LBPRGKRZSA-N 1 0 237.343 2.279 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000135215550 386490288 /nfs/dbraw/zinc/49/02/88/386490288.db2.gz BTNHTHVFINDMIB-NEPJUHHUSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000277665334 386456847 /nfs/dbraw/zinc/45/68/47/386456847.db2.gz FURICZMGTMVKNF-YPMHNXCESA-N 1 0 235.327 2.215 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@]2(C)CCOC2)cc1 ZINC000120245606 386663949 /nfs/dbraw/zinc/66/39/49/386663949.db2.gz MUGKIGBRHQRJHF-CQSZACIVSA-N 1 0 234.343 2.021 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CCOC2)cc1 ZINC000120245430 386664007 /nfs/dbraw/zinc/66/40/07/386664007.db2.gz MUGKIGBRHQRJHF-AWEZNQCLSA-N 1 0 234.343 2.021 20 10 BECDRO CO[C@H](C)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000191146284 386765287 /nfs/dbraw/zinc/76/52/87/386765287.db2.gz DKSDHAZGIMIFFT-LLVKDONJSA-N 1 0 223.316 2.134 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CCO)c(O)c1 ZINC000293251778 386793226 /nfs/dbraw/zinc/79/32/26/386793226.db2.gz BPIMSNDITZRJDV-NWDGAFQWSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)ncn1 ZINC000293253448 386794035 /nfs/dbraw/zinc/79/40/35/386794035.db2.gz ROVHFZIHRVUCEW-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](C)CO)c1ccc(C)cc1O ZINC000280036708 386772475 /nfs/dbraw/zinc/77/24/75/386772475.db2.gz IMJAAHLJJKNOCI-WCQYABFASA-N 1 0 237.343 2.370 20 10 BECDRO CO[C@H](C[NH2+]Cc1cc(F)ccc1O)C(C)C ZINC000272347815 387449649 /nfs/dbraw/zinc/44/96/49/387449649.db2.gz CTEIVUNWYXKIJM-CYBMUJFWSA-N 1 0 241.306 2.292 20 10 BECDRO CCC[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000134554726 387809872 /nfs/dbraw/zinc/80/98/72/387809872.db2.gz YJSOOQHVQRQPDC-CYBMUJFWSA-N 1 0 237.343 2.254 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]CC2COC2)c(O)c1 ZINC000528024277 387828206 /nfs/dbraw/zinc/82/82/06/387828206.db2.gz DQKWGJHQZPLLNT-NSHDSACASA-N 1 0 235.327 2.306 20 10 BECDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000293140992 387877645 /nfs/dbraw/zinc/87/76/45/387877645.db2.gz UFVXYCODZRKYMT-OAHLLOKOSA-N 1 0 247.338 2.136 20 10 BECDRO CC[C@@H](COC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000079737337 387956033 /nfs/dbraw/zinc/95/60/33/387956033.db2.gz SOEAVOWBQUOYCF-ZDUSSCGKSA-N 1 0 235.327 2.136 20 10 BECDRO C[C@H](CF)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000288398291 388411442 /nfs/dbraw/zinc/41/14/42/388411442.db2.gz HSYIQZNYLDOIIQ-SNVBAGLBSA-N 1 0 210.296 2.200 20 10 BECDRO CCOCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295989571 388415698 /nfs/dbraw/zinc/41/56/98/388415698.db2.gz NROSSGIBLCCNFW-LLVKDONJSA-N 1 0 221.300 2.006 20 10 BECDRO COC[C@@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295996721 388417332 /nfs/dbraw/zinc/41/73/32/388417332.db2.gz OBXCSYSYYAJWLS-JQWIXIFHSA-N 1 0 235.327 2.252 20 10 BECDRO CC(C)(O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296627769 388425403 /nfs/dbraw/zinc/42/54/03/388425403.db2.gz ZPYNJUNZPFKZAS-NSHDSACASA-N 1 0 235.327 2.130 20 10 BECDRO CC(C)(O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296627766 388425743 /nfs/dbraw/zinc/42/57/43/388425743.db2.gz ZPYNJUNZPFKZAS-LLVKDONJSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cn[nH]c1 ZINC000296670247 388425757 /nfs/dbraw/zinc/42/57/57/388425757.db2.gz FUMUVMUVZLREHZ-CABZTGNLSA-N 1 0 243.310 2.453 20 10 BECDRO C[C@H](CCO)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297459621 388429397 /nfs/dbraw/zinc/42/93/97/388429397.db2.gz XREUHZHZKGXUHC-WCQYABFASA-N 1 0 249.354 2.378 20 10 BECDRO COc1cccc(C[NH2+]CC2CC=CC2)c1O ZINC000527751166 388699102 /nfs/dbraw/zinc/69/91/02/388699102.db2.gz RLDDGNWAHLDFSK-UHFFFAOYSA-N 1 0 233.311 2.457 20 10 BECDRO CSC[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226610792 388723551 /nfs/dbraw/zinc/72/35/51/388723551.db2.gz MWXHWGJSEBTXRK-MRVPVSSYSA-N 1 0 229.320 2.372 20 10 BECDRO CO[C@@H](C)CC[NH2+]Cc1cccc(C)c1O ZINC000271851349 389025189 /nfs/dbraw/zinc/02/51/89/389025189.db2.gz IQVXJPIEOJXEQM-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO CCN(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000054110348 169700895 /nfs/dbraw/zinc/70/08/95/169700895.db2.gz HPMDZIDGVBMBBC-ZDUSSCGKSA-N 1 0 249.402 2.355 20 10 BECDRO CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020084229 132329850 /nfs/dbraw/zinc/32/98/50/132329850.db2.gz YJJAUTYBJWAGLG-UHFFFAOYSA-N 1 0 234.343 2.023 20 10 BECDRO CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000034824098 132337067 /nfs/dbraw/zinc/33/70/67/132337067.db2.gz QVROUXXXFMYHQZ-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO COC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050285818 132358838 /nfs/dbraw/zinc/35/88/38/132358838.db2.gz IUIRVCFMAMLPPK-LBPRGKRZSA-N 1 0 248.370 2.194 20 10 BECDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCO1 ZINC000179917864 398048707 /nfs/dbraw/zinc/04/87/07/398048707.db2.gz KLWZDGCTONPTSM-LBPRGKRZSA-N 1 0 239.290 2.142 20 10 BECDRO CCOc1ccc(O)c(C[N@H+](C)CCF)c1 ZINC000293678821 398117232 /nfs/dbraw/zinc/11/72/32/398117232.db2.gz PNOLGVIWIAZFPH-UHFFFAOYSA-N 1 0 227.279 2.192 20 10 BECDRO CC(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362339 167009420 /nfs/dbraw/zinc/00/94/20/167009420.db2.gz QIFNPRGFFLERIE-UHFFFAOYSA-N 1 0 205.301 2.367 20 10 BECDRO CC[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000016942053 170127261 /nfs/dbraw/zinc/12/72/61/170127261.db2.gz PJXYAOSUTRTLTF-UHFFFAOYSA-N 1 0 223.316 2.341 20 10 BECDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037238451 170842874 /nfs/dbraw/zinc/84/28/74/170842874.db2.gz OAIJBZRSOKFEEL-YPMHNXCESA-N 1 0 236.359 2.174 20 10 BECDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230222704 171165007 /nfs/dbraw/zinc/16/50/07/171165007.db2.gz KLBWHIVLKZWECD-HNNXBMFYSA-N 1 0 249.354 2.262 20 10 BECDRO CC[C@H](C(=O)Nc1ccc(N)cc1)[NH+](CC)CC ZINC000062460853 171233976 /nfs/dbraw/zinc/23/39/76/171233976.db2.gz ZZWKTVSQGDVGSB-CYBMUJFWSA-N 1 0 249.358 2.328 20 10 BECDRO CC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000020085792 171343275 /nfs/dbraw/zinc/34/32/75/171343275.db2.gz VYGWVEPKLKEOFF-VIFPVBQESA-N 1 0 209.289 2.289 20 10 BECDRO CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccccc1O ZINC000156412731 171538773 /nfs/dbraw/zinc/53/87/73/171538773.db2.gz GYXCWGGBYWJDHZ-SCRDCRAPSA-N 1 0 247.338 2.370 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000126273602 172552064 /nfs/dbraw/zinc/55/20/64/172552064.db2.gz VFBFYOMFWFOWOT-UHFFFAOYSA-N 1 0 246.354 2.189 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC2(O)CCCC2)cc1 ZINC000096479071 172552086 /nfs/dbraw/zinc/55/20/86/172552086.db2.gz YIWQASYBKLUPBM-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO COC1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000168389590 174022872 /nfs/dbraw/zinc/02/28/72/174022872.db2.gz GPXWRKUQPXUSEL-UHFFFAOYSA-N 1 0 235.327 2.439 20 10 BECDRO COC1CC[NH+](Cc2ccccc2O)CC1 ZINC000132603705 174030032 /nfs/dbraw/zinc/03/00/32/174030032.db2.gz ZELMPAMPGVRSFQ-UHFFFAOYSA-N 1 0 221.300 2.003 20 10 BECDRO COCC(C)(C)C[NH2+]Cc1cc(F)ccc1O ZINC000292821590 174073420 /nfs/dbraw/zinc/07/34/20/174073420.db2.gz QAMPNORJWJLUDW-UHFFFAOYSA-N 1 0 241.306 2.294 20 10 BECDRO COCC1([NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000285198932 174109256 /nfs/dbraw/zinc/10/92/56/174109256.db2.gz QUPJWQCQCDIOAY-UHFFFAOYSA-N 1 0 239.290 2.190 20 10 BECDRO COCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000020142527 174249955 /nfs/dbraw/zinc/24/99/55/174249955.db2.gz MEVKTMUUAXRHEE-SNVBAGLBSA-N 1 0 239.315 2.088 20 10 BECDRO COCC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000078638595 174384764 /nfs/dbraw/zinc/38/47/64/174384764.db2.gz HQYGFJTVCVDFIV-LLVKDONJSA-N 1 0 223.316 2.215 20 10 BECDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000081709150 174385504 /nfs/dbraw/zinc/38/55/04/174385504.db2.gz SIGQKMDUYLHTPP-MNOVXSKESA-N 1 0 223.316 2.468 20 10 BECDRO COc1ccc(C[NH2+]Cc2ccncc2)c(O)c1 ZINC000040905958 175108025 /nfs/dbraw/zinc/10/80/25/175108025.db2.gz KUYCFDGKOCBZTE-UHFFFAOYSA-N 1 0 244.294 2.086 20 10 BECDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C)cc1C ZINC000168548197 175109383 /nfs/dbraw/zinc/10/93/83/175109383.db2.gz UYSYLAGPORGOAY-LBPRGKRZSA-N 1 0 236.359 2.043 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CCCOC2)cc1C ZINC000075173041 175110609 /nfs/dbraw/zinc/11/06/09/175110609.db2.gz FUTHWJMZTFEIEE-CYBMUJFWSA-N 1 0 235.327 2.272 20 10 BECDRO COc1ccc(C[NH2+][C@H](C)CF)cc1C ZINC000288474888 175111389 /nfs/dbraw/zinc/11/13/89/175111389.db2.gz PGCAEBNFXSLXSU-SNVBAGLBSA-N 1 0 211.280 2.451 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CCCOC2)cc1C ZINC000075173042 175112074 /nfs/dbraw/zinc/11/20/74/175112074.db2.gz FUTHWJMZTFEIEE-ZDUSSCGKSA-N 1 0 235.327 2.272 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@@H](C)CSC)c1 ZINC000162657598 175159211 /nfs/dbraw/zinc/15/92/11/175159211.db2.gz IRRCDKJGLXYPGK-VIFPVBQESA-N 1 0 241.356 2.242 20 10 BECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CC2)c1 ZINC000019884909 175160584 /nfs/dbraw/zinc/16/05/84/175160584.db2.gz WQABYHMHLBQASX-VIFPVBQESA-N 1 0 221.300 2.461 20 10 BECDRO COc1cccc(C[N@H+](C)C2CCC2)c1O ZINC000093475868 175253501 /nfs/dbraw/zinc/25/35/01/175253501.db2.gz WBABJXDVKQZWKV-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO COc1cccc(C[N@H+](C)CC(C)C)c1O ZINC000132529005 175253781 /nfs/dbraw/zinc/25/37/81/175253781.db2.gz NWAXDGMNNLELEO-UHFFFAOYSA-N 1 0 223.316 2.489 20 10 BECDRO COc1cccc(C[N@@H+]2CC[C@@H](C)C2)c1O ZINC000132668128 175259834 /nfs/dbraw/zinc/25/98/34/175259834.db2.gz ORBCCTSDSUJLLU-SNVBAGLBSA-N 1 0 221.300 2.243 20 10 BECDRO COc1cccc(C[NH2+]Cc2ccncc2)c1O ZINC000020139882 175265798 /nfs/dbraw/zinc/26/57/98/175265798.db2.gz ACODJYXYVFHUCV-UHFFFAOYSA-N 1 0 244.294 2.086 20 10 BECDRO COc1cccc(C[NH2+]C[C@H]2C[C@@H]2C)c1O ZINC000136401775 175266205 /nfs/dbraw/zinc/26/62/05/175266205.db2.gz ZPLDTFQPITUYDT-GXSJLCMTSA-N 1 0 221.300 2.146 20 10 BECDRO C[C@@H]([NH2+]CCCO)c1cc2c(cc1O)CCCC2 ZINC000184841248 175875858 /nfs/dbraw/zinc/87/58/58/175875858.db2.gz SKPUPPWLCHPODC-LLVKDONJSA-N 1 0 249.354 2.304 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCCO1 ZINC000132722358 177265720 /nfs/dbraw/zinc/26/57/20/177265720.db2.gz NKEHTLWNOQWLEV-NSHDSACASA-N 1 0 221.300 2.003 20 10 BECDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226584707 177345915 /nfs/dbraw/zinc/34/59/15/177345915.db2.gz ZIWBMXSUBXSYBN-DTWKUNHWSA-N 1 0 209.264 2.277 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@H](C)O ZINC001652462815 1173088171 /nfs/dbraw/zinc/08/81/71/1173088171.db2.gz IOEFZCWSSDESIY-KWQFWETISA-N 1 0 243.734 2.295 20 10 BECDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)C(C)(C)O ZINC000293613904 487773500 /nfs/dbraw/zinc/77/35/00/487773500.db2.gz KEFBMXWQJCZXCK-LBPRGKRZSA-N 1 0 241.306 2.170 20 10 BECDRO Cc1cccc(CN[C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530177975 324509858 /nfs/dbraw/zinc/50/98/58/324509858.db2.gz MDYWRYPNDZUHEC-CYBMUJFWSA-N 1 0 246.354 2.075 20 10 BECDRO C[C@H](CCCO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296610392 490281270 /nfs/dbraw/zinc/28/12/70/490281270.db2.gz WGSBFEJQFOHXTD-DGCLKSJQSA-N 1 0 249.354 2.378 20 10 BECDRO CC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892429023 582885263 /nfs/dbraw/zinc/88/52/63/582885263.db2.gz APTSKAZTKNKBDT-SECBINFHSA-N 1 0 239.315 2.298 20 10 BECDRO CCn1nccc1C[NH2+]Cc1cc(C)ccc1O ZINC000853093551 588719489 /nfs/dbraw/zinc/71/94/89/588719489.db2.gz MSMRXEPEWZSAID-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO CC[C@H](N[C@H](C)C[NH2+]C)c1ccccc1O ZINC000854230875 588781000 /nfs/dbraw/zinc/78/10/00/588781000.db2.gz BAZUTJQVCOQEBQ-PWSUYJOCSA-N 1 0 222.332 2.041 20 10 BECDRO COc1cc(C)cc(C[NH2+]C(C)C)c1O ZINC000894163272 583322069 /nfs/dbraw/zinc/32/20/69/583322069.db2.gz PPWDPBQGQXSPEC-UHFFFAOYSA-N 1 0 209.289 2.207 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)c(O)c1 ZINC000877621215 583339931 /nfs/dbraw/zinc/33/99/31/583339931.db2.gz SWVHCJKWQQVHBN-LBPRGKRZSA-N 1 0 235.327 2.358 20 10 BECDRO CC[C@@]1(O)CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000877691296 583342595 /nfs/dbraw/zinc/34/25/95/583342595.db2.gz MACGCPIZLRDXRJ-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO C/C=C/C[C@H](CO)[NH2+]Cc1c(C)cccc1O ZINC000894481329 583471116 /nfs/dbraw/zinc/47/11/16/583471116.db2.gz WRLLSJMTPHVVPD-AAOUONPWSA-N 1 0 235.327 2.117 20 10 BECDRO COc1ccc(C[NH+]2CC3(CC3)C2)c(O)c1OC ZINC000894663534 583502145 /nfs/dbraw/zinc/50/21/45/583502145.db2.gz LGDWMGDCRDTXTA-UHFFFAOYSA-N 1 0 249.310 2.005 20 10 BECDRO COc1cc(C)cc(C[NH2+][C@@H]2CC23CC3)c1O ZINC000895053689 583574841 /nfs/dbraw/zinc/57/48/41/583574841.db2.gz RUBPACAXLMMIKH-GFCCVEGCSA-N 1 0 233.311 2.351 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(C)cc2O)C1 ZINC000895539719 583687480 /nfs/dbraw/zinc/68/74/80/583687480.db2.gz BXVLJCHMBWANBY-AULYBMBSSA-N 1 0 235.327 2.215 20 10 BECDRO COCC1C[NH+](Cc2ccc(N(C)C)cc2C)C1 ZINC000895969484 583754972 /nfs/dbraw/zinc/75/49/72/583754972.db2.gz CDAWVMZGYOUUCX-UHFFFAOYSA-N 1 0 248.370 2.139 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(O)c1 ZINC000896410096 583800428 /nfs/dbraw/zinc/80/04/28/583800428.db2.gz WQJBOERXVSVHFO-HIFRSBDPSA-N 1 0 247.338 2.358 20 10 BECDRO C/C=C/C[NH2+]Cc1c(O)cccc1OC ZINC000858291391 588942351 /nfs/dbraw/zinc/94/23/51/588942351.db2.gz XPRKESUCJNHRRU-ONEGZZNKSA-N 1 0 207.273 2.067 20 10 BECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2COC2)cc1 ZINC000858298979 588943459 /nfs/dbraw/zinc/94/34/59/588943459.db2.gz XKCREKRWTAMKDZ-ONEGZZNKSA-N 1 0 246.354 2.002 20 10 BECDRO COc1ccc(O)c([C@H](C)NCc2ccon2)c1 ZINC000148642085 584022227 /nfs/dbraw/zinc/02/22/27/584022227.db2.gz KRRZYEPCCSMJFP-VIFPVBQESA-N 1 0 248.282 2.240 20 10 BECDRO CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841031034 584028901 /nfs/dbraw/zinc/02/89/01/584028901.db2.gz RFNIMYJBRASXKU-NSHDSACASA-N 1 0 242.750 2.119 20 10 BECDRO CN(C)c1ccc(C[NH2+]C2CC(CCO)C2)cc1 ZINC000898007664 584070729 /nfs/dbraw/zinc/07/07/29/584070729.db2.gz IHVUJAHONMCWGS-UHFFFAOYSA-N 1 0 248.370 2.003 20 10 BECDRO CCc1cccc(C[NH2+]C2CC(CCO)C2)c1O ZINC000898010910 584071417 /nfs/dbraw/zinc/07/14/17/584071417.db2.gz PYVZJQXOGGCPIU-UHFFFAOYSA-N 1 0 249.354 2.205 20 10 BECDRO CC1(C)CCN(CC[NH2+]Cc2ccccc2O)C1 ZINC000898035309 584079493 /nfs/dbraw/zinc/07/94/93/584079493.db2.gz OSYLBMSOAFLDRC-UHFFFAOYSA-N 1 0 248.370 2.214 20 10 BECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)(C)O ZINC000898119027 584084282 /nfs/dbraw/zinc/08/42/82/584084282.db2.gz DUQYLMCNUBGABT-NSHDSACASA-N 1 0 249.354 2.261 20 10 BECDRO C[C@H]([NH2+]CC1COC1)c1ccc(N(C)C)cc1 ZINC000858550559 588964881 /nfs/dbraw/zinc/96/48/81/588964881.db2.gz PKSVSDYNVNXSFF-NSHDSACASA-N 1 0 234.343 2.050 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]CC2(C)C)c(O)c1 ZINC000902450552 584606874 /nfs/dbraw/zinc/60/68/74/584606874.db2.gz TWKMSDFXYSGGTL-SMDDNHRTSA-N 1 0 248.370 2.349 20 10 BECDRO C[C@@H]([NH2+]Cc1csc(N)n1)c1ccccc1O ZINC000902492328 584618854 /nfs/dbraw/zinc/61/88/54/584618854.db2.gz XVGUSNAVCXVBQO-MRVPVSSYSA-N 1 0 249.339 2.282 20 10 BECDRO CCn1cnc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000902642860 584645341 /nfs/dbraw/zinc/64/53/41/584645341.db2.gz JSKRKIIBVGYARK-NSHDSACASA-N 1 0 245.326 2.459 20 10 BECDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1ccccc1O ZINC000903331508 584754316 /nfs/dbraw/zinc/75/43/16/584754316.db2.gz XRYWREZXVFYLOU-VOMCLLRMSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)cn2)c(O)c1 ZINC000903352557 584755725 /nfs/dbraw/zinc/75/57/25/584755725.db2.gz VECFZIBMRTZDGW-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccccc1O ZINC000903409494 584759430 /nfs/dbraw/zinc/75/94/30/584759430.db2.gz XTMJCGWVEKHXEU-ZWNOBZJWSA-N 1 0 235.327 2.204 20 10 BECDRO COc1ccc2c(c1)CCCN2C[C@H]1CCC[NH2+]1 ZINC000903429977 584761508 /nfs/dbraw/zinc/76/15/08/584761508.db2.gz LXXZSXQJNRGMDW-CYBMUJFWSA-N 1 0 246.354 2.200 20 10 BECDRO COc1ccc2c(c1)CCCN2C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329198 584865930 /nfs/dbraw/zinc/86/59/30/584865930.db2.gz MMURZPJVGLJSJR-BJHJDKERSA-N 1 0 246.354 2.185 20 10 BECDRO CC(C)[C@H]([NH3+])CNCc1ccc2c(c1)CCCO2 ZINC000904351031 584869596 /nfs/dbraw/zinc/86/95/96/584869596.db2.gz SRJPZRWOYDZXIX-CQSZACIVSA-N 1 0 248.370 2.085 20 10 BECDRO Cc1ccc(C[N@@H+]2CCOCC2(C)C)c(O)c1 ZINC000876633984 584886534 /nfs/dbraw/zinc/88/65/34/584886534.db2.gz ZGEZZSTXZMMLKO-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)C1CC1 ZINC000877111418 584890563 /nfs/dbraw/zinc/89/05/63/584890563.db2.gz HKOYKPRKWAAGAM-CYBMUJFWSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000877118648 584890765 /nfs/dbraw/zinc/89/07/65/584890765.db2.gz IUYSVTLCNUJPEV-DGCLKSJQSA-N 1 0 235.327 2.358 20 10 BECDRO Oc1ccccc1C[NH2+]CCCC1(O)CCC1 ZINC000817414779 584985927 /nfs/dbraw/zinc/98/59/27/584985927.db2.gz OELYCCUNRLJAGA-UHFFFAOYSA-N 1 0 235.327 2.177 20 10 BECDRO CCC[NH2+]CCN[C@@H](C)c1ccc(C)cc1O ZINC000817961841 584992320 /nfs/dbraw/zinc/99/23/20/584992320.db2.gz DKBJWANSZLLWHW-LBPRGKRZSA-N 1 0 236.359 2.351 20 10 BECDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000839147572 585092266 /nfs/dbraw/zinc/09/22/66/585092266.db2.gz NMLGMBGIJQBENX-BETUJISGSA-N 1 0 235.327 2.438 20 10 BECDRO Cc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1O ZINC000839190693 585097445 /nfs/dbraw/zinc/09/74/45/585097445.db2.gz JPRBBFQPAAODRD-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO COc1ccc(C[NH2+][C@@H](CCO)C2CC2)cc1C ZINC000741255228 585111820 /nfs/dbraw/zinc/11/18/20/585111820.db2.gz NLUBAEHJXWJAJP-AWEZNQCLSA-N 1 0 249.354 2.254 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(C)(C)O)cc1C ZINC000742369376 585125200 /nfs/dbraw/zinc/12/52/00/585125200.db2.gz CBHBHGBNXZRMFT-NSHDSACASA-N 1 0 237.343 2.258 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2cccn2C)c1 ZINC000743497767 585137466 /nfs/dbraw/zinc/13/74/66/585137466.db2.gz JMAQZKHUXHJZAF-UHFFFAOYSA-N 1 0 230.311 2.329 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1 ZINC000789556579 585166474 /nfs/dbraw/zinc/16/64/74/585166474.db2.gz CWNCZVKSKAFLKL-HNNXBMFYSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CC2)c(O)c1C ZINC000756638162 585321999 /nfs/dbraw/zinc/32/19/99/585321999.db2.gz SJPUSVGGUOTBFE-GFCCVEGCSA-N 1 0 249.354 2.432 20 10 BECDRO C[C@@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756657257 585322138 /nfs/dbraw/zinc/32/21/38/585322138.db2.gz BWEMGJSXVXUYCO-WEDXCCLWSA-N 1 0 239.290 2.050 20 10 BECDRO C[C@@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756657255 585322192 /nfs/dbraw/zinc/32/21/92/585322192.db2.gz BWEMGJSXVXUYCO-NRPADANISA-N 1 0 239.290 2.050 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)CC2(O)CCC2)cc1C ZINC000761220787 585412440 /nfs/dbraw/zinc/41/24/40/585412440.db2.gz YADQDXMZUMGRDY-UHFFFAOYSA-N 1 0 249.354 2.356 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCOC2)cc1 ZINC000771529734 585595823 /nfs/dbraw/zinc/59/58/23/585595823.db2.gz YKYHYRBWFQXIOI-OAHLLOKOSA-N 1 0 248.370 2.363 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1 ZINC000773815923 585644321 /nfs/dbraw/zinc/64/43/21/585644321.db2.gz KEAOCGUKYMLDJG-IUODEOHRSA-N 1 0 248.370 2.098 20 10 BECDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccccc1O ZINC000775130773 585672593 /nfs/dbraw/zinc/67/25/93/585672593.db2.gz OGFBJROGSGCRHT-CHWSQXEVSA-N 1 0 248.370 2.385 20 10 BECDRO CCN1C[C@H](C)[N@H+](Cc2ccccc2O)C[C@H]1C ZINC000779017779 585743719 /nfs/dbraw/zinc/74/37/19/585743719.db2.gz BPIOVKMFFPRZPP-OLZOCXBDSA-N 1 0 248.370 2.307 20 10 BECDRO Cc1cccc(C[N@H+]2CC=CCC2)c1O ZINC000779159679 585746171 /nfs/dbraw/zinc/74/61/71/585746171.db2.gz QLUAJBLOHMLDHG-UHFFFAOYSA-N 1 0 203.285 2.463 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CCO)cc1C ZINC000779202626 585747314 /nfs/dbraw/zinc/74/73/14/585747314.db2.gz QSPQVSKHMGSATJ-AWEZNQCLSA-N 1 0 249.354 2.356 20 10 BECDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccccc1O ZINC000783502940 585835939 /nfs/dbraw/zinc/83/59/39/585835939.db2.gz BWLUHIMXXXHFFW-SMDDNHRTSA-N 1 0 248.370 2.383 20 10 BECDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000788268501 585920410 /nfs/dbraw/zinc/92/04/10/585920410.db2.gz DVSFCMQEYSFKQB-GZMMTYOYSA-N 1 0 241.718 2.001 20 10 BECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000794550143 586043768 /nfs/dbraw/zinc/04/37/68/586043768.db2.gz KODRSMSYEGGOLU-HNNXBMFYSA-N 1 0 248.370 2.363 20 10 BECDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000796496454 586105166 /nfs/dbraw/zinc/10/51/66/586105166.db2.gz AKVGTNQZDNATDA-VXGBXAGGSA-N 1 0 235.327 2.154 20 10 BECDRO COC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000840082861 586423286 /nfs/dbraw/zinc/42/32/86/586423286.db2.gz KPCLNQHUTUQWGT-AWEZNQCLSA-N 1 0 247.338 2.102 20 10 BECDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000811518066 586560475 /nfs/dbraw/zinc/56/04/75/586560475.db2.gz FSZWVVQCUMJSCV-AWEZNQCLSA-N 1 0 249.354 2.279 20 10 BECDRO CCc1nocc1C[NH2+]Cc1ccccc1O ZINC000815123081 586668069 /nfs/dbraw/zinc/66/80/69/586668069.db2.gz VWUDGXHZRCIARL-UHFFFAOYSA-N 1 0 232.283 2.232 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCOC2)c(O)c1 ZINC000815597837 586688818 /nfs/dbraw/zinc/68/88/18/586688818.db2.gz HIDXXVKALOVINL-RYUDHWBXSA-N 1 0 235.327 2.449 20 10 BECDRO C[C@@H](NCC[NH3+])c1ccc(N2CCCCC2)cc1 ZINC000817934652 586842890 /nfs/dbraw/zinc/84/28/90/586842890.db2.gz MGYLZWCOCFRQEN-CYBMUJFWSA-N 1 0 247.386 2.286 20 10 BECDRO CC(C)[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938196 586844516 /nfs/dbraw/zinc/84/45/16/586844516.db2.gz GPPWFMCKAYWDHC-IUODEOHRSA-N 1 0 249.402 2.387 20 10 BECDRO Cc1ccc([C@H](C)N[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000817942427 586845683 /nfs/dbraw/zinc/84/56/83/586845683.db2.gz YMAGPWCEAFAIKJ-RYUDHWBXSA-N 1 0 234.343 2.103 20 10 BECDRO C[NH2+]CCN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000817952820 586846385 /nfs/dbraw/zinc/84/63/85/586846385.db2.gz UMNDAKLNLBALRH-SECBINFHSA-N 1 0 242.750 2.224 20 10 BECDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccccc1O ZINC000817950066 586847361 /nfs/dbraw/zinc/84/73/61/586847361.db2.gz RKCIMZYHWXXODO-VXGBXAGGSA-N 1 0 234.343 2.185 20 10 BECDRO Cc1cc(C)c([C@H](C)NC[C@H]2CCC[NH2+]2)c(O)c1 ZINC000817952210 586847537 /nfs/dbraw/zinc/84/75/37/586847537.db2.gz OOQXZHNEZTUBGC-QWHCGFSZSA-N 1 0 248.370 2.412 20 10 BECDRO Cc1ccc(O)c([C@H](C)NC[C@@H]2CCC[NH2+]2)c1 ZINC000817951242 586848262 /nfs/dbraw/zinc/84/82/62/586848262.db2.gz CGJGDPNVROGIQW-RYUDHWBXSA-N 1 0 234.343 2.103 20 10 BECDRO CO[C@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956724 586850307 /nfs/dbraw/zinc/85/03/07/586850307.db2.gz BFMQVWJDZRKBBN-GJZGRUSLSA-N 1 0 248.370 2.359 20 10 BECDRO COCCC[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956424 586850839 /nfs/dbraw/zinc/85/08/39/586850839.db2.gz YRMYSTHXQKTXPM-GFCCVEGCSA-N 1 0 236.359 2.216 20 10 BECDRO C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N(C)C)cc1 ZINC000817959930 586851462 /nfs/dbraw/zinc/85/14/62/586851462.db2.gz HVBRLGQHWGDFNG-LLVKDONJSA-N 1 0 235.375 2.141 20 10 BECDRO C[C@H](CN)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000817966596 586855561 /nfs/dbraw/zinc/85/55/61/586855561.db2.gz QYBINSFIGSBWSN-GHMZBOCLSA-N 1 0 248.370 2.269 20 10 BECDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(C)cc1O ZINC000817972125 586859447 /nfs/dbraw/zinc/85/94/47/586859447.db2.gz JZURNNBSTONPEH-VXGBXAGGSA-N 1 0 236.359 2.349 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(Cl)c1[O-] ZINC000817973814 586860811 /nfs/dbraw/zinc/86/08/11/586860811.db2.gz WWAXPNMUEIRXSN-GZMMTYOYSA-N 1 0 242.750 2.434 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC2)c(Cl)c1 ZINC000818237314 586881330 /nfs/dbraw/zinc/88/13/30/586881330.db2.gz YRFVFSNEATXPHI-SECBINFHSA-N 1 0 241.718 2.233 20 10 BECDRO CN(C)c1ccc(OCC[C@H]2CC[NH2+]C2)cc1 ZINC000818620166 586907209 /nfs/dbraw/zinc/90/72/09/586907209.db2.gz UQHBYUGWVLPTDD-GFCCVEGCSA-N 1 0 234.343 2.131 20 10 BECDRO CO[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000821392202 587115856 /nfs/dbraw/zinc/11/58/56/587115856.db2.gz VSNVAZMJIAPUQZ-STQMWFEESA-N 1 0 235.327 2.392 20 10 BECDRO CO[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000821392201 587116020 /nfs/dbraw/zinc/11/60/20/587116020.db2.gz VSNVAZMJIAPUQZ-QWHCGFSZSA-N 1 0 235.327 2.392 20 10 BECDRO CC[N@H+](CCO)Cc1cc(Cl)c(C)cc1O ZINC000824491091 587271819 /nfs/dbraw/zinc/27/18/19/587271819.db2.gz MBMMWFMGLZMSQO-UHFFFAOYSA-N 1 0 243.734 2.168 20 10 BECDRO CCOc1cccc(C[NH+]2CC3(CC3)C2)c1O ZINC000824534052 587273915 /nfs/dbraw/zinc/27/39/15/587273915.db2.gz YWQAWOKXMGMTAG-UHFFFAOYSA-N 1 0 233.311 2.387 20 10 BECDRO COc1cccc(C[N@@H+]2CC[C@@H]2C2CC2)c1O ZINC000824649699 587280988 /nfs/dbraw/zinc/28/09/88/587280988.db2.gz FKHXKIYEYQSIOA-GFCCVEGCSA-N 1 0 233.311 2.385 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000824649089 587281105 /nfs/dbraw/zinc/28/11/05/587281105.db2.gz BCLQZKODKHJKFZ-ZDUSSCGKSA-N 1 0 233.311 2.385 20 10 BECDRO C[C@@]1(C2CC2)C[N@H+](Cc2ccccc2O)CCO1 ZINC000826877172 587364700 /nfs/dbraw/zinc/36/47/00/587364700.db2.gz BSQXHQSVYKUDIR-HNNXBMFYSA-N 1 0 247.338 2.393 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1O ZINC000827282434 587375270 /nfs/dbraw/zinc/37/52/70/587375270.db2.gz MJHFVTPGBCOGSZ-HIFRSBDPSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1 ZINC000827285247 587375304 /nfs/dbraw/zinc/37/53/04/587375304.db2.gz YZAQCAOSWVFUNR-HIFRSBDPSA-N 1 0 247.338 2.169 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506789 587384798 /nfs/dbraw/zinc/38/47/98/587384798.db2.gz MFPGQEDMSDVEPM-JQWIXIFHSA-N 1 0 203.285 2.234 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506316 587384881 /nfs/dbraw/zinc/38/48/81/587384881.db2.gz GKXLBCBOBFZCQZ-UWVGGRQHSA-N 1 0 221.275 2.373 20 10 BECDRO C[N@H+](Cc1cc(Cl)ccc1O)C1(CO)CC1 ZINC000827904301 587409165 /nfs/dbraw/zinc/40/91/65/587409165.db2.gz ZUIJVHGGFINTOB-UHFFFAOYSA-N 1 0 241.718 2.002 20 10 BECDRO CCN(CC[C@@H](C)O)c1ccc(OC)cc1 ZINC000828172540 587422842 /nfs/dbraw/zinc/42/28/42/587422842.db2.gz HCOXFEUYMCADNL-LLVKDONJSA-N 1 0 223.316 2.292 20 10 BECDRO OCC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000834669392 587763565 /nfs/dbraw/zinc/76/35/65/587763565.db2.gz XLXVZEFNGIMUPR-CHWSQXEVSA-N 1 0 247.338 2.130 20 10 BECDRO COCC1([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834729802 587764832 /nfs/dbraw/zinc/76/48/32/587764832.db2.gz KZPVZHBXXDXVPY-LLVKDONJSA-N 1 0 233.311 2.148 20 10 BECDRO CC[C@@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036767 587779387 /nfs/dbraw/zinc/77/93/87/587779387.db2.gz QXHGGFFGEQIVQQ-GJBLVYBDSA-N 1 0 248.370 2.126 20 10 BECDRO CN(C)c1ccc(/C=C\C[N@H+](C)CCCO)cc1 ZINC000835052133 587779744 /nfs/dbraw/zinc/77/97/44/587779744.db2.gz OFLWQZURWYOMBX-XQRVVYSFSA-N 1 0 248.370 2.080 20 10 BECDRO CCC1C[NH+](Cc2cccc(OC)c2O)C1 ZINC000835074229 587780250 /nfs/dbraw/zinc/78/02/50/587780250.db2.gz IRLDSOIRBHFGIO-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCCCO)c(Cl)c1 ZINC000840941128 587930641 /nfs/dbraw/zinc/93/06/41/587930641.db2.gz SPKOQMAHRHRWJJ-UHFFFAOYSA-N 1 0 243.734 2.216 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(O)CCC1 ZINC000840933206 587930867 /nfs/dbraw/zinc/93/08/67/587930867.db2.gz ASPMKXBXBKCEDO-UHFFFAOYSA-N 1 0 248.370 2.066 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000840942347 587931243 /nfs/dbraw/zinc/93/12/43/587931243.db2.gz ZPUHVCIXAUDNHX-IUODEOHRSA-N 1 0 248.370 2.016 20 10 BECDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@@H](O)C(C)C ZINC000840968096 587932538 /nfs/dbraw/zinc/93/25/38/587932538.db2.gz VIWAILWOVGZRLT-JSGCOSHPSA-N 1 0 237.343 2.277 20 10 BECDRO COc1ccc2c(c1)CCN2CC[NH2+]C(C)(C)C ZINC000841003551 587934789 /nfs/dbraw/zinc/93/47/89/587934789.db2.gz YYGKXIOXGZCVHC-UHFFFAOYSA-N 1 0 248.370 2.446 20 10 BECDRO COc1ccc2c(c1)CCN2C[C@@H]([NH3+])CC(C)C ZINC000841003345 587935019 /nfs/dbraw/zinc/93/50/19/587935019.db2.gz STZSWNGREYGGNZ-ZDUSSCGKSA-N 1 0 248.370 2.431 20 10 BECDRO CCCC[C@H](CN)[NH2+]Cc1cccc(C)c1O ZINC000841029800 587936270 /nfs/dbraw/zinc/93/62/70/587936270.db2.gz SILBHAYGWVNDHG-CYBMUJFWSA-N 1 0 236.359 2.308 20 10 BECDRO C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841049653 587940058 /nfs/dbraw/zinc/94/00/58/587940058.db2.gz GJQCZRZBJSZWHJ-SSDOTTSWSA-N 1 0 246.713 2.012 20 10 BECDRO CC[C@H]([NH3+])CNC/C=C\c1ccc(N(C)C)cc1 ZINC000841071377 587942463 /nfs/dbraw/zinc/94/24/63/587942463.db2.gz FDMYLCLQAOSLBD-GXMNPTEKSA-N 1 0 247.386 2.093 20 10 BECDRO C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841076592 587944028 /nfs/dbraw/zinc/94/40/28/587944028.db2.gz JORFGIJWBWDGDR-RNFRBKRXSA-N 1 0 246.713 2.010 20 10 BECDRO CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841073566 587944178 /nfs/dbraw/zinc/94/41/78/587944178.db2.gz ZRLAJJXMAXICKQ-VIFPVBQESA-N 1 0 246.713 2.012 20 10 BECDRO CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841073565 587944240 /nfs/dbraw/zinc/94/42/40/587944240.db2.gz ZRLAJJXMAXICKQ-SECBINFHSA-N 1 0 246.713 2.012 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841752293 587973970 /nfs/dbraw/zinc/97/39/70/587973970.db2.gz SFVPVKIMUQBYDY-SCZZXKLOSA-N 1 0 241.718 2.485 20 10 BECDRO CC[C@H](C[N@H+](C)Cc1ccccc1O)OC ZINC000842153854 588003798 /nfs/dbraw/zinc/00/37/98/588003798.db2.gz RNFXWUDMSGHFFI-GFCCVEGCSA-N 1 0 223.316 2.249 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000842681942 588052291 /nfs/dbraw/zinc/05/22/91/588052291.db2.gz VQMGIZVLDMHSFX-OCCSQVGLSA-N 1 0 248.370 2.328 20 10 BECDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccccc1O ZINC000842746604 588058704 /nfs/dbraw/zinc/05/87/04/588058704.db2.gz MOIGJROOMJTLCD-AWEZNQCLSA-N 1 0 237.343 2.423 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CO[C@@H](C)C2)cc1C ZINC000842774426 588062503 /nfs/dbraw/zinc/06/25/03/588062503.db2.gz HLJIGZHPSCRCGI-WCQYABFASA-N 1 0 235.327 2.276 20 10 BECDRO Cc1cc(O)c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1C ZINC000843048957 588076691 /nfs/dbraw/zinc/07/66/91/588076691.db2.gz BTKDXIWSYIMWFP-BETUJISGSA-N 1 0 248.370 2.191 20 10 BECDRO CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399082 588189363 /nfs/dbraw/zinc/18/93/63/588189363.db2.gz GBTAHRJHLYFTTA-UHFFFAOYSA-N 1 0 222.332 2.083 20 10 BECDRO CCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400244 588189884 /nfs/dbraw/zinc/18/98/84/588189884.db2.gz YCSRYMFPBPZTTP-UHFFFAOYSA-N 1 0 236.359 2.473 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)CCO)cc1C ZINC000846111888 588257393 /nfs/dbraw/zinc/25/73/93/588257393.db2.gz RUWOKMQGQSPNHA-LBPRGKRZSA-N 1 0 237.343 2.212 20 10 BECDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)OC)c1O ZINC000846164113 588258953 /nfs/dbraw/zinc/25/89/53/588258953.db2.gz MSZNLWHESNKRGU-UWVGGRQHSA-N 1 0 239.315 2.086 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H](CO)C2CCC2)cc1C ZINC000850350096 588537947 /nfs/dbraw/zinc/53/79/47/588537947.db2.gz OGMOLYZQMZJBLT-CQSZACIVSA-N 1 0 249.354 2.260 20 10 BECDRO COCC1([NH2+]Cc2ccccc2O)CCCC1 ZINC000850345227 588538254 /nfs/dbraw/zinc/53/82/54/588538254.db2.gz OYCGMTDCXZCGIQ-UHFFFAOYSA-N 1 0 235.327 2.441 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850391824 588542957 /nfs/dbraw/zinc/54/29/57/588542957.db2.gz BABYTRSBJUMUNY-PTEHBNRSSA-N 1 0 203.285 2.280 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000850389052 588543075 /nfs/dbraw/zinc/54/30/75/588543075.db2.gz SLJPMYMLKRDUSK-KGLIPLIRSA-N 1 0 247.338 2.094 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000850389210 588543119 /nfs/dbraw/zinc/54/31/19/588543119.db2.gz UBMHWVKJQQNUKF-CYBMUJFWSA-N 1 0 249.354 2.199 20 10 BECDRO COc1cccc(O)c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000850393164 588543681 /nfs/dbraw/zinc/54/36/81/588543681.db2.gz PPZZACBIMHHVTF-MSRIBSCDSA-N 1 0 233.311 2.289 20 10 BECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000850417907 588545168 /nfs/dbraw/zinc/54/51/68/588545168.db2.gz QMQQQUOQGPLKPW-CTYIDZIISA-N 1 0 248.370 2.146 20 10 BECDRO C[C@@H]([NH2+]C/C=C/CO)c1cc(Cl)ccc1O ZINC000850507196 588553182 /nfs/dbraw/zinc/55/31/82/588553182.db2.gz DTPBJBXDRVWNNL-GKQMSVHHSA-N 1 0 241.718 2.245 20 10 BECDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000850527874 588557453 /nfs/dbraw/zinc/55/74/53/588557453.db2.gz CMZJOEXBQZCFHV-PSASIEDQSA-N 1 0 243.734 2.467 20 10 BECDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(F)ccc1O ZINC000862388207 589207194 /nfs/dbraw/zinc/20/71/94/589207194.db2.gz XXYQAOVUTXWLAL-SNVBAGLBSA-N 1 0 241.306 2.124 20 10 BECDRO COc1ccc(CN[C@@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000863485322 589293473 /nfs/dbraw/zinc/29/34/73/589293473.db2.gz ZGPDZPAYLROXBQ-GXTWGEPZSA-N 1 0 248.370 2.234 20 10 BECDRO CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C)cc1O ZINC000863547702 589298517 /nfs/dbraw/zinc/29/85/17/589298517.db2.gz VVMUINUCGFNXAV-FPMFFAJLSA-N 1 0 248.370 2.492 20 10 BECDRO Oc1ccccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865441140 589435851 /nfs/dbraw/zinc/43/58/51/589435851.db2.gz BULLLMPTBCYYKK-UHFFFAOYSA-N 1 0 243.310 2.213 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c(O)c1 ZINC000866416324 589491668 /nfs/dbraw/zinc/49/16/68/589491668.db2.gz SBHXIYBMSYBSIJ-UPJWGTAASA-N 1 0 249.354 2.431 20 10 BECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](C)CO ZINC000121093786 589498399 /nfs/dbraw/zinc/49/83/99/589498399.db2.gz KRZWXTYFTPUQPZ-LBPRGKRZSA-N 1 0 237.343 2.233 20 10 BECDRO CC(C)[C@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000123927978 589862049 /nfs/dbraw/zinc/86/20/49/589862049.db2.gz HJGJEGNMXFPNAQ-GFCCVEGCSA-N 1 0 243.734 2.152 20 10 BECDRO Nc1ccc(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000872256595 589901702 /nfs/dbraw/zinc/90/17/02/589901702.db2.gz WXPUXJAITLPNTO-QWHCGFSZSA-N 1 0 247.342 2.115 20 10 BECDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1C ZINC000873129929 589985502 /nfs/dbraw/zinc/98/55/02/589985502.db2.gz VDZBGWLYNRRULZ-OKILXGFUSA-N 1 0 249.354 2.397 20 10 BECDRO Cc1cccc(CN2CCC([NH+](C)C)CC2)c1O ZINC000124538030 590047742 /nfs/dbraw/zinc/04/77/42/590047742.db2.gz DCPSSYSROWVRBK-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000020087565 590072127 /nfs/dbraw/zinc/07/21/27/590072127.db2.gz QWPWURZKIMWJEA-QWRGUYRKSA-N 1 0 223.316 2.386 20 10 BECDRO Cn1cccc1C[NH2+]Cc1ccccc1O ZINC000125243642 590159191 /nfs/dbraw/zinc/15/91/91/590159191.db2.gz NQPVMCBAXOHWPB-UHFFFAOYSA-N 1 0 216.284 2.021 20 10 BECDRO Cc1ccc(C[NH2+]Cc2ccccc2O)nc1 ZINC000125760681 590188549 /nfs/dbraw/zinc/18/85/49/590188549.db2.gz ZTKUEYKMBWIKKW-UHFFFAOYSA-N 1 0 228.295 2.385 20 10 BECDRO CN(C(=O)/C=C\[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000876545464 590213809 /nfs/dbraw/zinc/21/38/09/590213809.db2.gz NUAZSGWAAMYCKR-ASCRHOAZSA-N 1 0 244.338 2.205 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c(O)c1 ZINC000876598051 590220450 /nfs/dbraw/zinc/22/04/50/590220450.db2.gz TXCARNIGCULFQG-VXGBXAGGSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)c(O)c1 ZINC000876598045 590220579 /nfs/dbraw/zinc/22/05/79/590220579.db2.gz TXCARNIGCULFQG-NEPJUHHUSA-N 1 0 235.327 2.310 20 10 BECDRO C[N@H+](Cc1ccns1)Cc1ccccc1O ZINC000876615367 590222242 /nfs/dbraw/zinc/22/22/42/590222242.db2.gz CCPRBVOXIRVDLI-UHFFFAOYSA-N 1 0 234.324 2.481 20 10 BECDRO Cc1cccc(O)c1C[N@H+](CCCO)C1CC1 ZINC000876730986 590234010 /nfs/dbraw/zinc/23/40/10/590234010.db2.gz CQBWPEKIINWKRH-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(O)c1C[N@H+](CCCCO)C1CC1 ZINC000876732516 590234491 /nfs/dbraw/zinc/23/44/91/590234491.db2.gz XZEXPOOXPCOAAM-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000876749440 590236833 /nfs/dbraw/zinc/23/68/33/590236833.db2.gz KCHIMTPVCBKKPU-STQMWFEESA-N 1 0 249.354 2.436 20 10 BECDRO Cc1ccc(C[N@@H+](C)CC2(O)CCCC2)c(O)c1 ZINC000876747834 590237006 /nfs/dbraw/zinc/23/70/06/590237006.db2.gz NXTYDIXXUWBMGW-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000876749434 590237283 /nfs/dbraw/zinc/23/72/83/590237283.db2.gz KCHIMTPVCBKKPU-CHWSQXEVSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCOC2(CCC2)C1 ZINC000876764387 590239784 /nfs/dbraw/zinc/23/97/84/590239784.db2.gz MOYJHPCNNGXGIE-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000876802920 590243663 /nfs/dbraw/zinc/24/36/63/590243663.db2.gz BMSYNVIUQWYUAD-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c(O)c1 ZINC000877020238 590269625 /nfs/dbraw/zinc/26/96/25/590269625.db2.gz MNEGFNGHNLIROG-CYBMUJFWSA-N 1 0 246.354 2.027 20 10 BECDRO CCC[C@](C)(O)C[NH2+]Cc1c(C)cccc1O ZINC000877028152 590271465 /nfs/dbraw/zinc/27/14/65/590271465.db2.gz ZGKLKBIYVIVQEV-AWEZNQCLSA-N 1 0 237.343 2.341 20 10 BECDRO CCn1cc(C[NH2+]Cc2ccc(C)cc2O)cn1 ZINC000877052212 590274837 /nfs/dbraw/zinc/27/48/37/590274837.db2.gz STBKGONTEXKUIT-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO CC[C@H](COC)[NH2+]Cc1c(C)cccc1O ZINC000877056315 590275911 /nfs/dbraw/zinc/27/59/11/590275911.db2.gz JPJLBSSSVDZREL-LLVKDONJSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+]Cc1ccn(C)c1 ZINC000877080265 590280007 /nfs/dbraw/zinc/28/00/07/590280007.db2.gz PCJFZBYYMXAPRD-UHFFFAOYSA-N 1 0 230.311 2.329 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC1(CCO)CCC1 ZINC000877091107 590280864 /nfs/dbraw/zinc/28/08/64/590280864.db2.gz CNTYNDDNBSGGPW-UHFFFAOYSA-N 1 0 249.354 2.343 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCCCCCO ZINC000877138087 590291138 /nfs/dbraw/zinc/29/11/38/590291138.db2.gz NZQGESFISNQODC-UHFFFAOYSA-N 1 0 237.343 2.343 20 10 BECDRO Cc1ccc(C[NH2+]C2(CO)CCCC2)c(O)c1 ZINC000877158911 590293899 /nfs/dbraw/zinc/29/38/99/590293899.db2.gz OLUBUEFIMQQZOX-UHFFFAOYSA-N 1 0 235.327 2.095 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC=CCC1 ZINC000877168217 590295536 /nfs/dbraw/zinc/29/55/36/590295536.db2.gz PROGXNNVCNWCKH-UHFFFAOYSA-N 1 0 203.285 2.463 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000877194917 590299690 /nfs/dbraw/zinc/29/96/90/590299690.db2.gz XRELGGGHQDHMIQ-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000877406417 590323734 /nfs/dbraw/zinc/32/37/34/590323734.db2.gz XBQUDLJJHARTGT-SCOBNMCVSA-N 1 0 235.327 2.117 20 10 BECDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000877406414 590323863 /nfs/dbraw/zinc/32/38/63/590323863.db2.gz XBQUDLJJHARTGT-DHCBQETCSA-N 1 0 235.327 2.117 20 10 BECDRO CO[C@H](C)C[N@H+](C)Cc1c(C)cccc1O ZINC000877522485 590345009 /nfs/dbraw/zinc/34/50/09/590345009.db2.gz FYYGPTIOBJMLPV-LLVKDONJSA-N 1 0 223.316 2.167 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000877515777 590345466 /nfs/dbraw/zinc/34/54/66/590345466.db2.gz OXKLHKDKPWUWLN-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[NH2+][C@@](C)(CO)C(C)C)c(O)c1 ZINC000877539293 590350574 /nfs/dbraw/zinc/35/05/74/590350574.db2.gz NAKTVFVIYOGGGE-AWEZNQCLSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c(O)c1 ZINC000877553289 590355786 /nfs/dbraw/zinc/35/57/86/590355786.db2.gz MUJFARXLEFSBPU-WFASDCNBSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000877555712 590356307 /nfs/dbraw/zinc/35/63/07/590356307.db2.gz ZJFWODNISWZVCA-ZDUSSCGKSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC[C@H](C)CCO ZINC000877556404 590357457 /nfs/dbraw/zinc/35/74/57/590357457.db2.gz FTOSTJIWNUCMIN-NSHDSACASA-N 1 0 237.343 2.199 20 10 BECDRO CCC1(C[NH2+]Cc2c(C)cccc2O)COC1 ZINC000877573710 590363214 /nfs/dbraw/zinc/36/32/14/590363214.db2.gz UTHTXNRZQJINLJ-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ncc(C[NH2+]Cc2c(C)cccc2O)o1 ZINC000877585989 590367740 /nfs/dbraw/zinc/36/77/40/590367740.db2.gz ZBMOLJIGKCYSGC-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)c(O)c1 ZINC000877585139 590368327 /nfs/dbraw/zinc/36/83/27/590368327.db2.gz ANODIZWAWLCWQV-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000877592313 590368818 /nfs/dbraw/zinc/36/88/18/590368818.db2.gz NMWGFLMDPJEESP-OLZOCXBDSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c(O)c1 ZINC000877593250 590369162 /nfs/dbraw/zinc/36/91/62/590369162.db2.gz QVXDAGJOGRIRDG-JSGCOSHPSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c(O)c1 ZINC000877594866 590370366 /nfs/dbraw/zinc/37/03/66/590370366.db2.gz LGXCDSDYFDKNNN-STQMWFEESA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C)c(O)c1 ZINC000877595838 590370437 /nfs/dbraw/zinc/37/04/37/590370437.db2.gz CZQZNEZHFUHMPU-CQSZACIVSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000877595159 590370464 /nfs/dbraw/zinc/37/04/64/590370464.db2.gz UAKHETPPBSMPIP-YPMHNXCESA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c(O)c1 ZINC000877640706 590382277 /nfs/dbraw/zinc/38/22/77/590382277.db2.gz QVOFAJNOBQLUCT-WFASDCNBSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c(O)c1 ZINC000877646506 590384531 /nfs/dbraw/zinc/38/45/31/590384531.db2.gz JFYSBXTVUDKAKH-OCCSQVGLSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(O)c1 ZINC000877657547 590385636 /nfs/dbraw/zinc/38/56/36/590385636.db2.gz FJQIETJQEMHAOP-HIFRSBDPSA-N 1 0 247.338 2.358 20 10 BECDRO CC[C@]1(O)CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000877691999 590393051 /nfs/dbraw/zinc/39/30/51/590393051.db2.gz ZUNWCPZPZYKJGY-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO CC[C@@]1(O)CCC[N@H+](Cc2ccccc2O)C1 ZINC000877691114 590393282 /nfs/dbraw/zinc/39/32/82/590393282.db2.gz IXFBTZGTKMQIGO-CQSZACIVSA-N 1 0 235.327 2.129 20 10 BECDRO C[C@H]1C[C@@H]1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703070 590395448 /nfs/dbraw/zinc/39/54/48/590395448.db2.gz PZBDWVGPBQULBN-GXSJLCMTSA-N 1 0 203.285 2.364 20 10 BECDRO Oc1cccc2c1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC000877702577 590396014 /nfs/dbraw/zinc/39/60/14/590396014.db2.gz CCGMSNHKRVRIDF-GFCCVEGCSA-N 1 0 231.295 2.401 20 10 BECDRO Oc1cccc2c1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000877702578 590396522 /nfs/dbraw/zinc/39/65/22/590396522.db2.gz CCGMSNHKRVRIDF-LBPRGKRZSA-N 1 0 231.295 2.401 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877752270 590415573 /nfs/dbraw/zinc/41/55/73/590415573.db2.gz ODCZPUYGQZVJMS-GFCCVEGCSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1O ZINC000877755533 590416941 /nfs/dbraw/zinc/41/69/41/590416941.db2.gz DKSBWWKKRHBTNM-AXFHLTTASA-N 1 0 221.300 2.220 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCO[C@H]1C)c1ccccc1O ZINC000877756593 590417791 /nfs/dbraw/zinc/41/77/91/590417791.db2.gz WLJRWYKTQJNOSY-SCVCMEIPSA-N 1 0 221.300 2.220 20 10 BECDRO CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000879650261 590843373 /nfs/dbraw/zinc/84/33/73/590843373.db2.gz SKWRPKKTTFVKKB-AAEUAGOBSA-N 1 0 237.343 2.450 20 10 BECDRO C[C@@H](CN(C)C)[NH2+]Cc1c(O)cccc1Cl ZINC000130242529 591450183 /nfs/dbraw/zinc/45/01/83/591450183.db2.gz KZCLUEHSMKGDEQ-VIFPVBQESA-N 1 0 242.750 2.085 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000131208528 591572092 /nfs/dbraw/zinc/57/20/92/591572092.db2.gz XSGAYVFKSBXYPA-WCQYABFASA-N 1 0 234.343 2.192 20 10 BECDRO CC[C@@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000132633272 591726065 /nfs/dbraw/zinc/72/60/65/591726065.db2.gz FSWAUCNJTAHJTI-GFCCVEGCSA-N 1 0 221.300 2.003 20 10 BECDRO COC(C)(C)C[NH2+]Cc1cccc(C)c1O ZINC000133897687 591867665 /nfs/dbraw/zinc/86/76/65/591867665.db2.gz DEMJWVCNYLLRDG-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000134957888 591962926 /nfs/dbraw/zinc/96/29/26/591962926.db2.gz XJQQACHLYWFCSF-ZJUUUORDSA-N 1 0 249.310 2.351 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)c1ccccc1O ZINC000886310281 592205039 /nfs/dbraw/zinc/20/50/39/592205039.db2.gz IKPMUSSJLXFZMN-TYNCELHUSA-N 1 0 247.338 2.469 20 10 BECDRO CC[C@H]([NH2+]Cc1ccnn1C)c1ccccc1O ZINC000071333050 592263495 /nfs/dbraw/zinc/26/34/95/592263495.db2.gz CUJRETFKMUEXCT-ZDUSSCGKSA-N 1 0 245.326 2.367 20 10 BECDRO C[C@]1([NH2+]Cc2ccccc2O)CCCOC1 ZINC000221356756 592416616 /nfs/dbraw/zinc/41/66/16/592416616.db2.gz VBBSFGPEIMDEJY-ZDUSSCGKSA-N 1 0 221.300 2.051 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000313025877 634441916 /nfs/dbraw/zinc/44/19/16/634441916.db2.gz RJMNTFYQHIWIQO-CYBMUJFWSA-N 1 0 235.327 2.215 20 10 BECDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000308612241 631446879 /nfs/dbraw/zinc/44/68/79/631446879.db2.gz DFRKSXFBZNRWQI-UHFFFAOYSA-N 1 0 249.402 2.182 20 10 BECDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000829418835 632112235 /nfs/dbraw/zinc/11/22/35/632112235.db2.gz GEJKAVMLADGQCG-HIFRSBDPSA-N 1 0 248.370 2.267 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000309496052 632416447 /nfs/dbraw/zinc/41/64/47/632416447.db2.gz YLBPQGDIDJNASS-OUAUKWLOSA-N 1 0 223.316 2.466 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000309496049 632417140 /nfs/dbraw/zinc/41/71/40/632417140.db2.gz YLBPQGDIDJNASS-GMTAPVOTSA-N 1 0 223.316 2.466 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(C)(C)O ZINC000309511045 632433939 /nfs/dbraw/zinc/43/39/39/632433939.db2.gz XHOVETKKLXUUAS-VHSXEESVSA-N 1 0 223.316 2.202 20 10 BECDRO C[C@H]1CC([NH2+]Cc2ccccc2O)C[C@H](C)O1 ZINC000162138860 632520019 /nfs/dbraw/zinc/52/00/19/632520019.db2.gz JMINENGYSVFNSC-QWRGUYRKSA-N 1 0 235.327 2.438 20 10 BECDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000309049789 632628682 /nfs/dbraw/zinc/62/86/82/632628682.db2.gz OXQIENBEAVZMPY-KCJUWKMLSA-N 1 0 209.264 2.419 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](C)O)c1cc(Cl)ccc1O ZINC000309994472 632692058 /nfs/dbraw/zinc/69/20/58/632692058.db2.gz BTOPVBUPFFCCTG-GZMMTYOYSA-N 1 0 243.734 2.467 20 10 BECDRO CC[C@](C)(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310494110 632748274 /nfs/dbraw/zinc/74/82/74/632748274.db2.gz PGXIJKRQUMMQLX-FZMZJTMJSA-N 1 0 235.327 2.130 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOC)cc1 ZINC000152105139 632793241 /nfs/dbraw/zinc/79/32/41/632793241.db2.gz NJDBQHQZVHXLII-LBPRGKRZSA-N 1 0 236.359 2.440 20 10 BECDRO CC[C@@H](O)C[NH2+][C@H](CC)c1ccccc1O ZINC000162330882 633028311 /nfs/dbraw/zinc/02/83/11/633028311.db2.gz DNKLXEYSBRWSJU-ZYHUDNBSSA-N 1 0 223.316 2.204 20 10 BECDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000309412834 633034363 /nfs/dbraw/zinc/03/43/63/633034363.db2.gz YGSKSBNGEAUQIR-LLVKDONJSA-N 1 0 223.316 2.295 20 10 BECDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccccc2O)O1 ZINC000162939763 633043045 /nfs/dbraw/zinc/04/30/45/633043045.db2.gz ULVKZBYNQVIVNK-CMPLNLGQSA-N 1 0 221.300 2.049 20 10 BECDRO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1O ZINC000164736471 633080997 /nfs/dbraw/zinc/08/09/97/633080997.db2.gz NDLPHHMAKNRBAM-DGCLKSJQSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccccc1O ZINC000168676341 633147201 /nfs/dbraw/zinc/14/72/01/633147201.db2.gz BVIZWRKHPIRJTJ-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2cscn2)c1 ZINC000066737975 633175129 /nfs/dbraw/zinc/17/51/29/633175129.db2.gz FPGODIUWESNSQL-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccccc1O ZINC000310442072 636050782 /nfs/dbraw/zinc/05/07/82/636050782.db2.gz SQEZAFQTNPPXIO-YGRLFVJLSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC000294209174 633755182 /nfs/dbraw/zinc/75/51/82/633755182.db2.gz YEKMUQPJCBLYBR-ZDUSSCGKSA-N 1 0 249.354 2.295 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000309588189 633960083 /nfs/dbraw/zinc/96/00/83/633960083.db2.gz SUQNFVOCVMDPEO-RKDXNWHRSA-N 1 0 227.279 2.044 20 10 BECDRO CC[C@H]([NH2+][C@H](CO)C(C)C)c1ccccc1O ZINC000092393805 634114582 /nfs/dbraw/zinc/11/45/82/634114582.db2.gz ZYXXCSWOTFUROT-QWHCGFSZSA-N 1 0 237.343 2.450 20 10 BECDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccccc1O ZINC000310442068 634146531 /nfs/dbraw/zinc/14/65/31/634146531.db2.gz SQEZAFQTNPPXIO-IINYFYTJSA-N 1 0 235.327 2.204 20 10 BECDRO CC[N@H+](Cc1cc(C)ccc1O)[C@@H]1CCOC1 ZINC000310507163 636239370 /nfs/dbraw/zinc/23/93/70/636239370.db2.gz JJMIVVKMHNZHBA-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC2(O)CCC2)cc1C ZINC000304267814 636323026 /nfs/dbraw/zinc/32/30/26/636323026.db2.gz DGJSSBNQFNYLPU-UHFFFAOYSA-N 1 0 235.327 2.014 20 10 BECDRO CCC(O)(CC)C[N@H+](C)Cc1ccccc1O ZINC000305837344 636333803 /nfs/dbraw/zinc/33/38/03/636333803.db2.gz QGAOEZYNLFTKAF-UHFFFAOYSA-N 1 0 237.343 2.375 20 10 BECDRO CC(C)[C@](C)(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311112398 639662083 /nfs/dbraw/zinc/66/20/83/639662083.db2.gz WYRVNFBPIQLAHK-SWLSCSKDSA-N 1 0 249.354 2.376 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCCC2)c1 ZINC000035628816 639766109 /nfs/dbraw/zinc/76/61/09/639766109.db2.gz NQOJBVOEZFQHMW-ZDUSSCGKSA-N 1 0 248.370 2.447 20 10 BECDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccccc1O ZINC000163983842 640434343 /nfs/dbraw/zinc/43/43/43/640434343.db2.gz WVJFVIWUEUQJGQ-GHMZBOCLSA-N 1 0 223.316 2.204 20 10 BECDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000164559483 640488487 /nfs/dbraw/zinc/48/84/87/640488487.db2.gz JGYTWVXJDUFRLL-RKDXNWHRSA-N 1 0 243.734 2.295 20 10 BECDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)ccc1O ZINC000164600390 640493218 /nfs/dbraw/zinc/49/32/18/640493218.db2.gz DFFDJEIAFWAPAS-BDAKNGLRSA-N 1 0 243.734 2.295 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)CC2 ZINC000311149369 640493333 /nfs/dbraw/zinc/49/33/33/640493333.db2.gz IIBDCDKKMHPWME-AVGNSLFASA-N 1 0 247.338 2.273 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c1O ZINC000224865500 640646111 /nfs/dbraw/zinc/64/61/11/640646111.db2.gz ULGHBMCTHPYYSE-JSGCOSHPSA-N 1 0 249.354 2.341 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1O ZINC000167453275 640723123 /nfs/dbraw/zinc/72/31/23/640723123.db2.gz GLTWUXBGGHVFQA-QJPTWQEYSA-N 1 0 235.327 2.468 20 10 BECDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1O)C(C)C ZINC000226609530 640778862 /nfs/dbraw/zinc/77/88/62/640778862.db2.gz PEMBWKYLGFIUFF-GFCCVEGCSA-N 1 0 241.306 2.292 20 10 BECDRO COC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111328 640846099 /nfs/dbraw/zinc/84/60/99/640846099.db2.gz XZVLXNWYTCWHMV-BDAKNGLRSA-N 1 0 227.279 2.217 20 10 BECDRO CC(C)C[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311184261 640862692 /nfs/dbraw/zinc/86/26/92/640862692.db2.gz ZZUKPHGTZYFDHQ-OLZOCXBDSA-N 1 0 249.354 2.376 20 10 BECDRO CCOc1ccc(N(C)CCC[NH2+]C)cc1 ZINC000087472858 640897586 /nfs/dbraw/zinc/89/75/86/640897586.db2.gz GGVXDESYUMXGKQ-UHFFFAOYSA-N 1 0 222.332 2.131 20 10 BECDRO CC[C@@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000229966614 641000353 /nfs/dbraw/zinc/00/03/53/641000353.db2.gz WXLXODWVXDLBMN-WDEREUQCSA-N 1 0 223.316 2.122 20 10 BECDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230152947 641032271 /nfs/dbraw/zinc/03/22/71/641032271.db2.gz RXJGGFDONUZBMP-IUODEOHRSA-N 1 0 248.370 2.410 20 10 BECDRO c1cc(C[NH2+]CC[C@@H]2CCOC2)cc2c1OCC2 ZINC000230162322 641033028 /nfs/dbraw/zinc/03/30/28/641033028.db2.gz KGUDSMSNKSTFHT-GFCCVEGCSA-N 1 0 247.338 2.138 20 10 BECDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(F)ccc1O ZINC000230392232 641048932 /nfs/dbraw/zinc/04/89/32/641048932.db2.gz HKJGKNWXENXBML-TVQRCGJNSA-N 1 0 239.290 2.188 20 10 BECDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(F)ccc1O ZINC000230392234 641049574 /nfs/dbraw/zinc/04/95/74/641049574.db2.gz HKJGKNWXENXBML-NOZJJQNGSA-N 1 0 239.290 2.188 20 10 BECDRO Cc1cccc(C[NH2+]CC[C@@H]2CCOC2)c1O ZINC000230393159 641049592 /nfs/dbraw/zinc/04/95/92/641049592.db2.gz DWTCOLBFSIBFPP-GFCCVEGCSA-N 1 0 235.327 2.217 20 10 BECDRO c1cc(C[NH2+][C@@H]2CCSC2)cc2c1OCC2 ZINC000230704078 641083806 /nfs/dbraw/zinc/08/38/06/641083806.db2.gz XNCAQCYFPTVOPK-GFCCVEGCSA-N 1 0 235.352 2.217 20 10 BECDRO C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000062744920 641087019 /nfs/dbraw/zinc/08/70/19/641087019.db2.gz BMWGYPBXGQQQEW-JTQLQIEISA-N 1 0 240.322 2.134 20 10 BECDRO COc1cccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000827506358 641365845 /nfs/dbraw/zinc/36/58/45/641365845.db2.gz GRZTWKYFMFGTPN-JQWIXIFHSA-N 1 0 233.311 2.243 20 10 BECDRO CC[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1O ZINC000041014256 641538806 /nfs/dbraw/zinc/53/88/06/641538806.db2.gz CDPFKHKNECEXJG-LBPRGKRZSA-N 1 0 231.299 2.356 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c1O ZINC000914436133 641705989 /nfs/dbraw/zinc/70/59/89/641705989.db2.gz PUKCSIBHPRRPSS-KBPBESRZSA-N 1 0 247.338 2.215 20 10 BECDRO Cc1cc(O)c(C[N@H+](C)CC2CC(O)C2)cc1C ZINC000191166517 641904025 /nfs/dbraw/zinc/90/40/25/641904025.db2.gz ACAARUPPTGWOSX-UHFFFAOYSA-N 1 0 249.354 2.212 20 10 BECDRO CC[C@H]([NH2+]Cc1cncn1C)c1ccccc1O ZINC000271761112 641962414 /nfs/dbraw/zinc/96/24/14/641962414.db2.gz ZPICLXRCPUMBSF-ZDUSSCGKSA-N 1 0 245.326 2.367 20 10 BECDRO C[N@@H+]1CCC[C@H]1CSc1nccs1 ZINC000916759889 641975184 /nfs/dbraw/zinc/97/51/84/641975184.db2.gz VIHKYPKKZJGZNY-QMMMGPOBSA-N 1 0 214.359 2.329 20 10 BECDRO C[N@@H+]1CCC[C@@H]1CSc1nccs1 ZINC000916759888 641975878 /nfs/dbraw/zinc/97/58/78/641975878.db2.gz VIHKYPKKZJGZNY-MRVPVSSYSA-N 1 0 214.359 2.329 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000253358178 642639571 /nfs/dbraw/zinc/63/95/71/642639571.db2.gz MFVBBFJZHCPSBN-QWHCGFSZSA-N 1 0 248.370 2.362 20 10 BECDRO CCC[C@](C)(CO)[NH2+]Cc1cccc(C)c1O ZINC000305807325 642699303 /nfs/dbraw/zinc/69/93/03/642699303.db2.gz ZQYMEOFKBUWKOP-CQSZACIVSA-N 1 0 237.343 2.341 20 10 BECDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179576939 642731117 /nfs/dbraw/zinc/73/11/17/642731117.db2.gz QUXXBCZVROKWKP-YPMHNXCESA-N 1 0 235.327 2.128 20 10 BECDRO COc1ccc(N2CC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000071197463 643109140 /nfs/dbraw/zinc/10/91/40/643109140.db2.gz HIAIXPLWOPVZDJ-GFCCVEGCSA-N 1 0 234.343 2.272 20 10 BECDRO C[N@@H+]1CC[C@H](CSc2nccs2)C1 ZINC000187682041 643216081 /nfs/dbraw/zinc/21/60/81/643216081.db2.gz QSACTAUWLWXVAS-QMMMGPOBSA-N 1 0 214.359 2.187 20 10 BECDRO OCCCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000083381190 643443490 /nfs/dbraw/zinc/44/34/90/643443490.db2.gz YGJGIHUXGNYCJZ-UHFFFAOYSA-N 1 0 249.354 2.264 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000041015012 643492554 /nfs/dbraw/zinc/49/25/54/643492554.db2.gz FIWAYRATFFTSKA-SNVBAGLBSA-N 1 0 231.299 2.275 20 10 BECDRO COc1ccc(N(C)CC2CC[NH2+]CC2)cc1 ZINC000049969890 643572851 /nfs/dbraw/zinc/57/28/51/643572851.db2.gz FNONEQCTSZNIMR-UHFFFAOYSA-N 1 0 234.343 2.131 20 10 BECDRO c1cc2c(cc1C[NH2+]C1CCOCC1)CCCO2 ZINC000921556068 643606243 /nfs/dbraw/zinc/60/62/43/643606243.db2.gz HNHPJLJXCJELEU-UHFFFAOYSA-N 1 0 247.338 2.280 20 10 BECDRO CC[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921766643 643779793 /nfs/dbraw/zinc/77/97/93/643779793.db2.gz IEBOGOJKRHOBLI-AWEZNQCLSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948445 643832234 /nfs/dbraw/zinc/83/22/34/643832234.db2.gz DAVNAWVGCGPDLZ-FZMZJTMJSA-N 1 0 247.338 2.279 20 10 BECDRO CC(C)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000086120612 643918277 /nfs/dbraw/zinc/91/82/77/643918277.db2.gz OOYGNWFPQMBQEB-LLVKDONJSA-N 1 0 243.734 2.152 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc1C ZINC000922557880 644024881 /nfs/dbraw/zinc/02/48/81/644024881.db2.gz UZXQJJNGFBDINE-TZMCWYRMSA-N 1 0 248.370 2.191 20 10 BECDRO C[C@]1(C[NH2+]Cc2ccccc2O)CCCCO1 ZINC000922815371 644105919 /nfs/dbraw/zinc/10/59/19/644105919.db2.gz BIWRDFMWOPONBD-CQSZACIVSA-N 1 0 235.327 2.441 20 10 BECDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccccc1O ZINC000087015633 644470233 /nfs/dbraw/zinc/47/02/33/644470233.db2.gz PWFIVTLNCCACQR-LLVKDONJSA-N 1 0 235.327 2.348 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC2)c(O)c1 ZINC000087783675 644503101 /nfs/dbraw/zinc/50/31/01/644503101.db2.gz NBJRXGYVCXZMRS-WDEREUQCSA-N 1 0 221.300 2.140 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000090721790 644602789 /nfs/dbraw/zinc/60/27/89/644602789.db2.gz CJBUMQKXUXZCJQ-OCCSQVGLSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c(O)c1 ZINC000248500077 644684611 /nfs/dbraw/zinc/68/46/11/644684611.db2.gz NCQHKSFJWFAQEI-CYZMBNFOSA-N 1 0 235.327 2.265 20 10 BECDRO C[C@H]([NH2+]CCn1cccn1)c1cc(F)ccc1O ZINC000094617855 644719863 /nfs/dbraw/zinc/71/98/63/644719863.db2.gz TWUGBZQMNBWWCA-JTQLQIEISA-N 1 0 249.289 2.079 20 10 BECDRO C[C@H]([NH2+]Cc1cc[nH]n1)c1cc(F)ccc1O ZINC000094617841 644720387 /nfs/dbraw/zinc/72/03/87/644720387.db2.gz AOWXLUSKKIUOIJ-QMMMGPOBSA-N 1 0 235.262 2.105 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000094797714 644729550 /nfs/dbraw/zinc/72/95/50/644729550.db2.gz CFWQNZJLFRDWDZ-OAHLLOKOSA-N 1 0 248.370 2.411 20 10 BECDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccccc1O ZINC000783520178 644755459 /nfs/dbraw/zinc/75/54/59/644755459.db2.gz YWDHYBNNWLKGBQ-CMPLNLGQSA-N 1 0 235.327 2.204 20 10 BECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](F)C2)c1O ZINC000840104036 644865864 /nfs/dbraw/zinc/86/58/64/644865864.db2.gz GGESHDIQOMJESC-LLVKDONJSA-N 1 0 239.290 2.253 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000252703535 644886710 /nfs/dbraw/zinc/88/67/10/644886710.db2.gz KHRIDOMMZSXDQV-CTYIDZIISA-N 1 0 248.370 2.146 20 10 BECDRO Cc1ccc([C@@H](C)N[C@H]2CCCC[NH2+]C2)c(O)c1 ZINC000817983389 644994625 /nfs/dbraw/zinc/99/46/25/644994625.db2.gz BPKGYUAYEBCMFE-OLZOCXBDSA-N 1 0 248.370 2.493 20 10 BECDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817980735 644995635 /nfs/dbraw/zinc/99/56/35/644995635.db2.gz WRJGUILDQZVIKB-WCQYABFASA-N 1 0 235.375 2.141 20 10 BECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(C)c1O ZINC000824636281 645057041 /nfs/dbraw/zinc/05/70/41/645057041.db2.gz NWJLSJGFHXKKBI-KGLIPLIRSA-N 1 0 249.354 2.293 20 10 BECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(C)c1O ZINC000824636283 645057080 /nfs/dbraw/zinc/05/70/80/645057080.db2.gz NWJLSJGFHXKKBI-ZIAGYGMSSA-N 1 0 249.354 2.293 20 10 BECDRO CC[C@H]([NH2+][C@@H](CO)CCF)c1ccccc1O ZINC000846096691 645403668 /nfs/dbraw/zinc/40/36/68/645403668.db2.gz KGLGDVGQADGBNS-PWSUYJOCSA-N 1 0 241.306 2.153 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)c(O)c1C ZINC000927145703 645569048 /nfs/dbraw/zinc/56/90/48/645569048.db2.gz BBOYVTAVFCXREJ-JHJVBQTASA-N 1 0 249.354 2.431 20 10 BECDRO Cc1cc(C)c([C@@H](C)N[C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000925787108 646482565 /nfs/dbraw/zinc/48/25/65/646482565.db2.gz WRJMDMNKAZQTGQ-JHJVBQTASA-N 1 0 248.370 2.268 20 10 BECDRO CCc1cccc(C[N@H+](CC)CCOC)c1O ZINC000709319588 712219869 /nfs/dbraw/zinc/21/98/69/712219869.db2.gz NGROTDVESGPNJU-UHFFFAOYSA-N 1 0 237.343 2.423 20 10 BECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cccc(C)c1O ZINC000716813985 712576231 /nfs/dbraw/zinc/57/62/31/712576231.db2.gz JIVIAEANYLDFNS-WCQYABFASA-N 1 0 237.343 2.340 20 10 BECDRO N#Cc1csc(C[NH2+]Cc2ccccc2O)n1 ZINC000386132456 711023190 /nfs/dbraw/zinc/02/31/90/711023190.db2.gz OSWVLRIJKKGYLH-UHFFFAOYSA-N 1 0 245.307 2.010 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](C)O ZINC000386900180 711038010 /nfs/dbraw/zinc/03/80/10/711038010.db2.gz OPSDCGOIOYEBGQ-BXUZGUMPSA-N 1 0 236.359 2.002 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H](C)O ZINC000386945763 711039469 /nfs/dbraw/zinc/03/94/69/711039469.db2.gz WNWXRDPQXKLVDF-SBMIAAHKSA-N 1 0 241.306 2.341 20 10 BECDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccccc1O)C1CC1 ZINC000388349212 711058817 /nfs/dbraw/zinc/05/88/17/711058817.db2.gz NSQOWSKUZDYCIE-HZMBPMFUSA-N 1 0 235.327 2.295 20 10 BECDRO CC(C)(O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000390477749 711120790 /nfs/dbraw/zinc/12/07/90/711120790.db2.gz JUTXBOUGMYTMMB-UHFFFAOYSA-N 1 0 243.734 2.296 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2C)c(O)c1 ZINC000390671327 711131111 /nfs/dbraw/zinc/13/11/11/711131111.db2.gz SVHRXWJIZXNLQR-BXKDBHETSA-N 1 0 221.300 2.289 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)c2nccn21 ZINC000393318280 711157468 /nfs/dbraw/zinc/15/74/68/711157468.db2.gz CYAVOGIXFNBFCP-CMPLNLGQSA-N 1 0 243.310 2.384 20 10 BECDRO CCC1(C[NH2+]Cc2ccc3c(c2)CCO3)COC1 ZINC000393968784 711180397 /nfs/dbraw/zinc/18/03/97/711180397.db2.gz WFCXWYJOUIISGS-UHFFFAOYSA-N 1 0 247.338 2.138 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)C(C)C)c1 ZINC000394017853 711181329 /nfs/dbraw/zinc/18/13/29/711181329.db2.gz AAIKFAUVKNJMAT-ZDUSSCGKSA-N 1 0 237.343 2.055 20 10 BECDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccccc1O ZINC000394073002 711182847 /nfs/dbraw/zinc/18/28/47/711182847.db2.gz RBMJTNRMCKXPTA-RYUDHWBXSA-N 1 0 237.343 2.307 20 10 BECDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)C1CC1 ZINC000397962700 711398476 /nfs/dbraw/zinc/39/84/76/711398476.db2.gz FTFNADNFZNARIP-SNVBAGLBSA-N 1 0 204.317 2.199 20 10 BECDRO C/C=C\C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000384946315 711001200 /nfs/dbraw/zinc/00/12/00/711001200.db2.gz FNLGEKOUSKZDSZ-IHWYPQMZSA-N 1 0 246.354 2.189 20 10 BECDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccccc1O ZINC000397132568 711378162 /nfs/dbraw/zinc/37/81/62/711378162.db2.gz WXLKLJRNMKUQHK-FZMZJTMJSA-N 1 0 235.327 2.469 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813891 711616521 /nfs/dbraw/zinc/61/65/21/711616521.db2.gz HWKSNURYTFCKSR-OCCSQVGLSA-N 1 0 233.311 2.003 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C2CC2)cc1 ZINC000385754694 711759660 /nfs/dbraw/zinc/75/96/60/711759660.db2.gz SJOAFPQTIWRNJS-OAHLLOKOSA-N 1 0 248.370 2.003 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H](C)O ZINC000386961674 711763840 /nfs/dbraw/zinc/76/38/40/711763840.db2.gz ZGEIWANATVCEFG-ZMLRMANQSA-N 1 0 235.327 2.129 20 10 BECDRO CC[C@@H]([NH2+]CCOC)c1ccc(N(C)C)cc1 ZINC000152120989 711786459 /nfs/dbraw/zinc/78/64/59/711786459.db2.gz OYRFSPJYAPIZCY-CQSZACIVSA-N 1 0 236.359 2.440 20 10 BECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000228406603 711834698 /nfs/dbraw/zinc/83/46/98/711834698.db2.gz JDAUOPCWOJTVMM-OLZOCXBDSA-N 1 0 235.327 2.439 20 10 BECDRO COCC(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000180605022 711889340 /nfs/dbraw/zinc/88/93/40/711889340.db2.gz XGSZVAVDBFDJIG-UHFFFAOYSA-N 1 0 227.279 2.046 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2cccnc2)c1 ZINC000071406589 711898342 /nfs/dbraw/zinc/89/83/42/711898342.db2.gz NDQIGTZAIRQBPP-UHFFFAOYSA-N 1 0 228.295 2.385 20 10 BECDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921987351 711951760 /nfs/dbraw/zinc/95/17/60/711951760.db2.gz YHKAXWOKVGANCB-VXGBXAGGSA-N 1 0 249.354 2.261 20 10 BECDRO C[C@H](CCNCc1ccc2c(c1)CCO2)[NH+](C)C ZINC000700521772 711996701 /nfs/dbraw/zinc/99/67/01/711996701.db2.gz BJPYNICNHVHFNJ-GFCCVEGCSA-N 1 0 248.370 2.051 20 10 BECDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccccc1O ZINC000702439707 712052923 /nfs/dbraw/zinc/05/29/23/712052923.db2.gz HTBHWOFOMYGDOK-VOMCLLRMSA-N 1 0 235.327 2.204 20 10 BECDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccccc1O ZINC000705015430 712121685 /nfs/dbraw/zinc/12/16/85/712121685.db2.gz TUJSCSDMHOOEKF-PRHODGIISA-N 1 0 245.269 2.059 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c(O)c1 ZINC000707702435 712177111 /nfs/dbraw/zinc/17/71/11/712177111.db2.gz ISKYKKIVZJQPOD-SDDRHHMPSA-N 1 0 235.327 2.122 20 10 BECDRO CCc1cccc(C[NH2+]CCSC)c1O ZINC000709418410 712221459 /nfs/dbraw/zinc/22/14/59/712221459.db2.gz RDOPVPZDWIMZGX-UHFFFAOYSA-N 1 0 225.357 2.407 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2C)c1 ZINC000712586381 712434571 /nfs/dbraw/zinc/43/45/71/712434571.db2.gz LSRLMTYPMSBVQD-RYUDHWBXSA-N 1 0 234.343 2.055 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000714443015 712489215 /nfs/dbraw/zinc/48/92/15/712489215.db2.gz JHAOJEITMBOCAV-BJHJDKERSA-N 1 0 235.327 2.215 20 10 BECDRO c1cc(C[NH2+][C@H]2CC23CC3)cc2c1OCC2 ZINC000715305774 712515975 /nfs/dbraw/zinc/51/59/75/712515975.db2.gz WHJJAAVVRUXINX-ZDUSSCGKSA-N 1 0 215.296 2.264 20 10 BECDRO CCOc1cccc(C[NH2+][C@@H]2CC23CC3)c1O ZINC000715362342 712521911 /nfs/dbraw/zinc/52/19/11/712521911.db2.gz GGEKPRUHYVHTGL-GFCCVEGCSA-N 1 0 233.311 2.433 20 10 BECDRO CCc1cccc(C[NH2+]Cc2cc(C)n[nH]2)c1O ZINC000716451073 712561856 /nfs/dbraw/zinc/56/18/56/712561856.db2.gz MUZKDQBCYXMIKJ-UHFFFAOYSA-N 1 0 245.326 2.276 20 10 BECDRO c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000037362678 712574932 /nfs/dbraw/zinc/57/49/32/712574932.db2.gz ZYFCLDSULZHUBU-UHFFFAOYSA-N 1 0 240.306 2.306 20 10 BECDRO CCC[C@H](CCO)[NH2+]Cc1cccc(C)c1O ZINC000716803013 712575327 /nfs/dbraw/zinc/57/53/27/712575327.db2.gz RQWHWSXSJUHDBL-CYBMUJFWSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(C)ccc1O ZINC000716813155 712576290 /nfs/dbraw/zinc/57/62/90/712576290.db2.gz GZFZAVIJURGYAI-AAEUAGOBSA-N 1 0 237.343 2.340 20 10 BECDRO COc1cc(O)c(C[NH2+][C@H]2C=CCC2)cc1OC ZINC000826942555 712592945 /nfs/dbraw/zinc/59/29/45/712592945.db2.gz QANGTQNGWXMOMP-NSHDSACASA-N 1 0 249.310 2.218 20 10 BECDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1O ZINC000379897846 712621834 /nfs/dbraw/zinc/62/18/34/712621834.db2.gz HJIDGGQIBDQXAC-GXSJLCMTSA-N 1 0 223.341 2.233 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CCC=CO2)c1O ZINC000379971846 712642599 /nfs/dbraw/zinc/64/25/99/712642599.db2.gz NJYZEMQZLRYRJD-ZDUSSCGKSA-N 1 0 233.311 2.483 20 10 BECDRO CCc1cccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC000718155565 712749706 /nfs/dbraw/zinc/74/97/06/712749706.db2.gz ORZHJVWMHMIBSI-OKILXGFUSA-N 1 0 247.338 2.033 20 10 BECDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)N(C)C ZINC000038088617 712807162 /nfs/dbraw/zinc/80/71/62/712807162.db2.gz FJXYKMTYLSCNRA-VIFPVBQESA-N 1 0 242.750 2.085 20 10 BECDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccccc1O ZINC000719647007 712819998 /nfs/dbraw/zinc/81/99/98/712819998.db2.gz MMVLGYCQMHYDBL-GVXVVHGQSA-N 1 0 234.343 2.135 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H]2CCC=CO2)c(O)c1 ZINC000380226726 712833635 /nfs/dbraw/zinc/83/36/35/712833635.db2.gz OPYMSEJIUQJZLM-ZDUSSCGKSA-N 1 0 249.310 2.183 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](C)CC2)c1 ZINC000720483496 712846684 /nfs/dbraw/zinc/84/66/84/712846684.db2.gz OLBICXHWGZFZQW-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(C[N@@H+]2CCO[C@@H](C)CC2)c1O ZINC000720485375 712846870 /nfs/dbraw/zinc/84/68/70/712846870.db2.gz UOLTUMFUISOZIF-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO CCC[C@H](C)[NH2+]Cc1cccc(O)c1O ZINC000041049385 1165777027 /nfs/dbraw/zinc/77/70/27/1165777027.db2.gz HMRUIPKXDYUJHB-VIFPVBQESA-N 1 0 209.289 2.376 20 10 BECDRO C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204273078 966953779 /nfs/dbraw/zinc/95/37/79/966953779.db2.gz WTPWZYBAUYHBSA-SNVBAGLBSA-N 1 0 221.300 2.330 20 10 BECDRO C[N@H+](Cc1ccc(Cl)cc1O)C1(C)COC1 ZINC001140466114 1166135923 /nfs/dbraw/zinc/13/59/23/1166135923.db2.gz XLWZJJIBVLFREQ-UHFFFAOYSA-N 1 0 241.718 2.266 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1 ZINC001140619964 1166328398 /nfs/dbraw/zinc/32/83/98/1166328398.db2.gz WQLJTYAHGDUCRR-TZMCWYRMSA-N 1 0 233.311 2.064 20 10 BECDRO Nc1ccc(CO[C@@H]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001217804360 1166463804 /nfs/dbraw/zinc/46/38/04/1166463804.db2.gz XDBJJOGIWDNKOB-CABCVRRESA-N 1 0 246.354 2.318 20 10 BECDRO C[C@H]1CSCC[N@H+](Cc2ccc(N)cc2)C1 ZINC000379501763 1166739542 /nfs/dbraw/zinc/73/95/42/1166739542.db2.gz DTGZWCKHHNZSMN-LLVKDONJSA-N 1 0 236.384 2.454 20 10 BECDRO CC[N@H+](CCN(C)C)Cc1c(C)cccc1O ZINC001237482718 979910974 /nfs/dbraw/zinc/91/09/74/979910974.db2.gz OBEYQXAASUOBPL-UHFFFAOYSA-N 1 0 236.359 2.084 20 10 BECDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710999654 1168400305 /nfs/dbraw/zinc/40/03/05/1168400305.db2.gz NBXWWLFTMUFHLR-OCCSQVGLSA-N 1 0 247.338 2.136 20 10 BECDRO COCC1(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000691805907 983792863 /nfs/dbraw/zinc/79/28/63/983792863.db2.gz HJDOGOBUWPWGLH-NSHDSACASA-N 1 0 235.327 2.469 20 10 BECDRO COCC1(C[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000691844162 1169289462 /nfs/dbraw/zinc/28/94/62/1169289462.db2.gz RODFQXWKNOXCPC-UHFFFAOYSA-N 1 0 248.370 2.269 20 10 BECDRO CCCC[N@H+](CC)Cc1c(O)cc(O)cc1O ZINC001144499852 972848551 /nfs/dbraw/zinc/84/85/51/972848551.db2.gz MESLWCJPVVMAOF-UHFFFAOYSA-N 1 0 239.315 2.425 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CO1 ZINC000402217289 970766556 /nfs/dbraw/zinc/76/65/56/970766556.db2.gz MVGZYIMWAYNHAS-LDYMZIIASA-N 1 0 241.718 2.313 20 10 BECDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)sn1 ZINC000404320195 971150455 /nfs/dbraw/zinc/15/04/55/971150455.db2.gz QGKFZBPMTSRSRK-UHFFFAOYSA-N 1 0 246.335 2.368 20 10 BECDRO COC(C)(C)C[N@H+](C)Cc1cc(F)ccc1O ZINC000404329345 971156953 /nfs/dbraw/zinc/15/69/53/971156953.db2.gz XINCHBAJJZYHMF-UHFFFAOYSA-N 1 0 241.306 2.388 20 10 BECDRO CCC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257309464 971202853 /nfs/dbraw/zinc/20/28/53/971202853.db2.gz UQSXVIQTXBOIJE-SECBINFHSA-N 1 0 237.299 2.059 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCOCC1 ZINC001170831630 971950692 /nfs/dbraw/zinc/95/06/92/971950692.db2.gz QWVLOCLXRGMQPN-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCCOCC2)c1O ZINC000310568329 971975088 /nfs/dbraw/zinc/97/50/88/971975088.db2.gz MYXCNJFQGIUQTR-ZDUSSCGKSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C)c(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1O ZINC001209874897 957552478 /nfs/dbraw/zinc/55/24/78/957552478.db2.gz SZLLEXAVEGTIQW-BETUJISGSA-N 1 0 248.370 2.191 20 10 BECDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000693096723 957667928 /nfs/dbraw/zinc/66/79/28/957667928.db2.gz FBHGCKIVHABIHA-LBPRGKRZSA-N 1 0 235.327 2.297 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c1O ZINC001140178459 957719356 /nfs/dbraw/zinc/71/93/56/957719356.db2.gz MCHFRLOBKQZAQL-BXUZGUMPSA-N 1 0 249.354 2.212 20 10 BECDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000096811777 958730702 /nfs/dbraw/zinc/73/07/02/958730702.db2.gz KPPBHLHUZRABMS-CYBMUJFWSA-N 1 0 248.370 2.147 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000689850287 959306325 /nfs/dbraw/zinc/30/63/25/959306325.db2.gz RFMVKGLSZIUGNJ-LLVKDONJSA-N 1 0 209.264 2.244 20 10 BECDRO C[C@@H]1C[NH2+]CCC[C@@H]1OCc1ccc(N)cc1 ZINC001217779602 959592807 /nfs/dbraw/zinc/59/28/07/959592807.db2.gz NUXVRFQZDRZMAF-RISCZKNCSA-N 1 0 234.343 2.174 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC000724813726 959685684 /nfs/dbraw/zinc/68/56/84/959685684.db2.gz GZLHDVCLYGEUPI-WFASDCNBSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](F)C2)c1O ZINC001140746255 959792435 /nfs/dbraw/zinc/79/24/35/959792435.db2.gz XFOOSTBFRKUMHJ-NSHDSACASA-N 1 0 239.290 2.340 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2C[C@]2(C)OC)c1O ZINC000694324582 959830818 /nfs/dbraw/zinc/83/08/18/959830818.db2.gz SYTOLPMPMQQWGD-OCCSQVGLSA-N 1 0 235.327 2.222 20 10 BECDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000694356316 959837935 /nfs/dbraw/zinc/83/79/35/959837935.db2.gz VXPUEUYEFNEOTD-NEPJUHHUSA-N 1 0 241.718 2.313 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC000690789006 959838569 /nfs/dbraw/zinc/83/85/69/959838569.db2.gz HIOCNSHJCLNYGJ-KBPBESRZSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c1 ZINC001140617696 960460831 /nfs/dbraw/zinc/46/08/31/960460831.db2.gz YBKXZAIVSRCHDS-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c1 ZINC001140619370 960462680 /nfs/dbraw/zinc/46/26/80/960462680.db2.gz BVTRCICTEVFFHX-WFASDCNBSA-N 1 0 249.354 2.293 20 10 BECDRO CO[C@@H](C)C1C[NH+](Cc2cc(C)ccc2O)C1 ZINC001140623810 960467203 /nfs/dbraw/zinc/46/72/03/960467203.db2.gz SJLGTNJQPDWJOJ-NSHDSACASA-N 1 0 235.327 2.167 20 10 BECDRO CSCC[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140749974 960552698 /nfs/dbraw/zinc/55/26/98/960552698.db2.gz QQKBRDBPCQUURQ-UHFFFAOYSA-N 1 0 241.356 2.201 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c(O)c1 ZINC001140948073 960742214 /nfs/dbraw/zinc/74/22/14/960742214.db2.gz RTKPHWCMESFYQO-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CO)c(O)c1 ZINC001140948355 960743514 /nfs/dbraw/zinc/74/35/14/960743514.db2.gz GFPFPIQPGQGRAT-ZDUSSCGKSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[N@@H+]2CCCC3(COC3)C2)c(O)c1 ZINC001140948105 960747625 /nfs/dbraw/zinc/74/76/25/960747625.db2.gz SXNOUBYCHQBPQY-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1ccc(C[NH+]2CCC3(COC3)CC2)c(O)c1 ZINC001140948579 960751097 /nfs/dbraw/zinc/75/10/97/960751097.db2.gz PIOOQQSKXGJQRJ-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(O)c1 ZINC001140957800 960754479 /nfs/dbraw/zinc/75/44/79/960754479.db2.gz OCDDOKXXQFIQBP-DZGCQCFKSA-N 1 0 247.338 2.311 20 10 BECDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001140954658 960759095 /nfs/dbraw/zinc/75/90/95/960759095.db2.gz JRPMCBVKQWBNBS-ZDUSSCGKSA-N 1 0 233.311 2.254 20 10 BECDRO C[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141155592 960890062 /nfs/dbraw/zinc/89/00/62/960890062.db2.gz AEVBCASDNQCXNV-SNVBAGLBSA-N 1 0 221.300 2.472 20 10 BECDRO Oc1ccc(O)c(C[NH+]2CCC(F)CC2)c1 ZINC001141156212 960891855 /nfs/dbraw/zinc/89/18/55/960891855.db2.gz HENJTVGBIVOGNO-UHFFFAOYSA-N 1 0 225.263 2.032 20 10 BECDRO CC1(F)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156589 960893018 /nfs/dbraw/zinc/89/30/18/960893018.db2.gz NZODESLLKVPKEK-UHFFFAOYSA-N 1 0 239.290 2.422 20 10 BECDRO C[N@H+](Cc1cc(O)ccc1O)C(C)(C)C ZINC001141158998 960894770 /nfs/dbraw/zinc/89/47/70/960894770.db2.gz VFDYZUSVKYBOKH-UHFFFAOYSA-N 1 0 209.289 2.328 20 10 BECDRO Oc1ccccc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167895055 961513730 /nfs/dbraw/zinc/51/37/30/961513730.db2.gz RPQKCMGCFKSONR-GDNZZTSVSA-N 1 0 203.285 2.280 20 10 BECDRO CCOC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000040678322 961886484 /nfs/dbraw/zinc/88/64/84/961886484.db2.gz PFUCMWQQEVWTEK-UHFFFAOYSA-N 1 0 234.343 2.270 20 10 BECDRO CCOCC[C@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001172411521 974676440 /nfs/dbraw/zinc/67/64/40/974676440.db2.gz MWVCDOXLTFNUIS-JTQLQIEISA-N 1 0 239.315 2.003 20 10 BECDRO COc1cccc(C[NH2+]C2(C3CC3)CC2)c1O ZINC000697414119 963914914 /nfs/dbraw/zinc/91/49/14/963914914.db2.gz PRCIJFVFISLKNU-UHFFFAOYSA-N 1 0 233.311 2.433 20 10 BECDRO COc1ccc(C[N@H+](C)CCSC)c(O)c1 ZINC000093509661 964160089 /nfs/dbraw/zinc/16/00/89/964160089.db2.gz AEGQIKMJASNZNL-UHFFFAOYSA-N 1 0 241.356 2.196 20 10 BECDRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(O)c1 ZINC000093661171 964175901 /nfs/dbraw/zinc/17/59/01/964175901.db2.gz TWLAYHIGGRRYCF-BETUJISGSA-N 1 0 247.338 2.489 20 10 BECDRO C[NH2+]C1CN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001204714777 964678994 /nfs/dbraw/zinc/67/89/94/964678994.db2.gz USCKERHUABRSFE-UHFFFAOYSA-N 1 0 248.370 2.093 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC2CSC2)cc1 ZINC000697940911 964751153 /nfs/dbraw/zinc/75/11/53/964751153.db2.gz BFBXWHVMOXGGRN-UHFFFAOYSA-N 1 0 236.384 2.205 20 10 BECDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000042545708 964826594 /nfs/dbraw/zinc/82/65/94/964826594.db2.gz NFPRXPDSDMQKHV-JSGCOSHPSA-N 1 0 247.386 2.107 20 10 BECDRO CNc1ccccc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162404503 964963549 /nfs/dbraw/zinc/96/35/49/964963549.db2.gz NOKREHOMNQYJCY-GHMZBOCLSA-N 1 0 219.332 2.410 20 10 BECDRO COc1ccc(N2CC[C@H]([NH3+])C2)c2ccccc12 ZINC001164282619 965828134 /nfs/dbraw/zinc/82/81/34/965828134.db2.gz ZOXOHUUUANRKHI-NSHDSACASA-N 1 0 242.322 2.386 20 10 BECDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccccc1O ZINC000699474967 965902226 /nfs/dbraw/zinc/90/22/26/965902226.db2.gz LKBXIJOKBYGEKW-JFGNBEQYSA-N 1 0 221.300 2.078 20 10 BECDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cc(F)ccc1O ZINC000699811816 966103609 /nfs/dbraw/zinc/10/36/09/966103609.db2.gz YJCQPLRKDRZQND-AUTRQRHGSA-N 1 0 239.290 2.217 20 10 BECDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000699837624 966128673 /nfs/dbraw/zinc/12/86/73/966128673.db2.gz OUTNMJXJBMIRIW-HUBLWGQQSA-N 1 0 248.370 2.438 20 10 BECDRO CCc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(O)c1 ZINC001236784057 966534764 /nfs/dbraw/zinc/53/47/64/966534764.db2.gz RROHMQHVZIQSFL-BXUZGUMPSA-N 1 0 249.354 2.300 20 10 BECDRO COCC1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000691811308 966561153 /nfs/dbraw/zinc/56/11/53/966561153.db2.gz HMYJMVLDTJXYPP-UHFFFAOYSA-N 1 0 239.290 2.048 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCCC1=O ZINC001203550058 966677395 /nfs/dbraw/zinc/67/73/95/966677395.db2.gz GFGLWDLWSBNSSJ-NSHDSACASA-N 1 0 233.311 2.193 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001203550190 966678516 /nfs/dbraw/zinc/67/85/16/966678516.db2.gz LBPUOMXMCOEDPN-UHFFFAOYSA-N 1 0 233.311 2.005 20 10 BECDRO C[C@H]1C[C@H]2C[N@H+](Cc3ccccc3O)CC[C@H]2O1 ZINC001203551303 966681445 /nfs/dbraw/zinc/68/14/45/966681445.db2.gz BGQQJFDQWDCZID-CORIIIEPSA-N 1 0 247.338 2.392 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001203550030 966682531 /nfs/dbraw/zinc/68/25/31/966682531.db2.gz FUBRDBXLUICSAR-CQSZACIVSA-N 1 0 233.311 2.147 20 10 BECDRO CC(C)N1CC[N@H+](Cc2ccccc2O)C[C@@H]1C ZINC001203562971 966688961 /nfs/dbraw/zinc/68/89/61/966688961.db2.gz RTBDZSRGQSTNKS-ZDUSSCGKSA-N 1 0 248.370 2.307 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001203561332 966692731 /nfs/dbraw/zinc/69/27/31/966692731.db2.gz QPJASXWZRBVDBF-CMPLNLGQSA-N 1 0 203.285 2.377 20 10 BECDRO COc1ccc(C[NH+]2CC3(CCC3)C2)c(O)c1 ZINC001203621572 966710952 /nfs/dbraw/zinc/71/09/52/966710952.db2.gz XOKUCLGZMDNBNB-UHFFFAOYSA-N 1 0 233.311 2.387 20 10 BECDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CF)c(O)c1 ZINC001203635075 966713329 /nfs/dbraw/zinc/71/33/29/966713329.db2.gz JQUCYIMPNKCFIK-LLVKDONJSA-N 1 0 239.290 2.335 20 10 BECDRO Oc1ccc(C[NH+]2CCC(CF)CC2)cc1O ZINC001203880835 966810323 /nfs/dbraw/zinc/81/03/23/966810323.db2.gz BLWVIFANZUSYNQ-UHFFFAOYSA-N 1 0 239.290 2.279 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCc2cnccc2C1 ZINC001203547273 966883675 /nfs/dbraw/zinc/88/36/75/966883675.db2.gz MOIBQHMRNBACJN-UHFFFAOYSA-N 1 0 240.306 2.346 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCC[C@]1(C)O ZINC001203549869 966926999 /nfs/dbraw/zinc/92/69/99/966926999.db2.gz ADTWSAWTAUSBCS-WFASDCNBSA-N 1 0 249.354 2.375 20 10 BECDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204275346 966950310 /nfs/dbraw/zinc/95/03/10/966950310.db2.gz OUSFQKYNESQLLF-NSHDSACASA-N 1 0 221.300 2.472 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@H](F)C2)c(O)c1 ZINC001204275380 966951608 /nfs/dbraw/zinc/95/16/08/966951608.db2.gz PUSWGSTVJHZWOU-JTQLQIEISA-N 1 0 225.263 2.032 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)c(O)c1 ZINC001204276068 966953896 /nfs/dbraw/zinc/95/38/96/966953896.db2.gz FLUSNKBOGOQRRK-LLVKDONJSA-N 1 0 239.290 2.422 20 10 BECDRO Oc1ccc(C[NH+]2CC3(C2)CCCC3)c(O)c1 ZINC001204277005 966957185 /nfs/dbraw/zinc/95/71/85/966957185.db2.gz VNQWKURCWJKWFA-UHFFFAOYSA-N 1 0 233.311 2.474 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@H](CF)C2)c(O)c1 ZINC001204278818 966960705 /nfs/dbraw/zinc/96/07/05/966960705.db2.gz KGRDMBBJQCZZIH-SNVBAGLBSA-N 1 0 239.290 2.279 20 10 BECDRO COc1cc(C[N@H+](C)CC(C)C)cc(O)c1O ZINC001204340190 966973015 /nfs/dbraw/zinc/97/30/15/966973015.db2.gz HFBPNGGQVSHGLX-UHFFFAOYSA-N 1 0 239.315 2.194 20 10 BECDRO CC(C)c1ccc(CN2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204802033 967176105 /nfs/dbraw/zinc/17/61/05/967176105.db2.gz ZOGUHMIPMFHYRS-OAHLLOKOSA-N 1 0 248.370 2.439 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2CN)c1 ZINC001205068680 967324486 /nfs/dbraw/zinc/32/44/86/967324486.db2.gz MJQYHMZRRVACSO-AAEUAGOBSA-N 1 0 234.343 2.012 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2[C@@H](C)CC[C@H]2CN)c(O)c1 ZINC001205076159 967327448 /nfs/dbraw/zinc/32/74/48/967327448.db2.gz QBJJMOWZCKGEEJ-STQMWFEESA-N 1 0 248.370 2.321 20 10 BECDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CC[C@@H]1C[NH3+] ZINC001205601924 967721761 /nfs/dbraw/zinc/72/17/61/967721761.db2.gz GSMDJDCNXISPPM-QWHCGFSZSA-N 1 0 248.370 2.199 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1O ZINC000691409250 968642550 /nfs/dbraw/zinc/64/25/50/968642550.db2.gz BWHUEHNHPVGANS-KBPBESRZSA-N 1 0 247.338 2.358 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC001207662772 968854990 /nfs/dbraw/zinc/85/49/90/968854990.db2.gz WBYDIJWAYXEGBS-ABAIWWIYSA-N 1 0 249.354 2.328 20 10 BECDRO C[C@@H]1C[C@@H]1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001209434349 969507763 /nfs/dbraw/zinc/50/77/63/969507763.db2.gz YBIGTXODZKBKGT-ZYHUDNBSSA-N 1 0 217.312 2.406 20 10 BECDRO Cc1cc(N)[nH+]cc1N(C)c1ccc(N)cc1 ZINC001209970733 969740880 /nfs/dbraw/zinc/74/08/80/969740880.db2.gz BCSJEFXIYOPXKN-UHFFFAOYSA-N 1 0 228.299 2.322 20 10 BECDRO Cc1cc(NCc2ccc(O)c(O)c2)cc(C)[nH+]1 ZINC001169994827 969973031 /nfs/dbraw/zinc/97/30/31/969973031.db2.gz JHXUWSFJIIKDHK-UHFFFAOYSA-N 1 0 244.294 2.144 20 10 BECDRO CCc1cccc(C[NH2+]C[C@@H]2CCOC2)c1O ZINC000691480017 970006399 /nfs/dbraw/zinc/00/63/99/970006399.db2.gz AVNLNHWULQADFT-NSHDSACASA-N 1 0 235.327 2.081 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1CC[NH2+]C1 ZINC001327719691 972714603 /nfs/dbraw/zinc/71/46/03/972714603.db2.gz KZXXPTOYQPHQEP-GRYCIOLGSA-N 1 0 246.354 2.200 20 10 BECDRO CCC[N@H+](CC)Cc1c(O)cc(O)cc1O ZINC001144500364 972846674 /nfs/dbraw/zinc/84/66/74/972846674.db2.gz SPPVLSFNYPFQDR-UHFFFAOYSA-N 1 0 225.288 2.035 20 10 BECDRO CCC[NH+](CCC)Cc1c(O)cc(O)cc1O ZINC001144500165 972848638 /nfs/dbraw/zinc/84/86/38/972848638.db2.gz QIGCNKYPJOGNNN-UHFFFAOYSA-N 1 0 239.315 2.425 20 10 BECDRO CN(C)c1cc(F)c(C[NH2+]C2CC2)cc1F ZINC001328752338 973332048 /nfs/dbraw/zinc/33/20/48/973332048.db2.gz VFLZESBOHUUCCC-UHFFFAOYSA-N 1 0 226.270 2.283 20 10 BECDRO CN(C)c1cc(F)c(C[NH2+]CCCF)cc1F ZINC001328765084 973339991 /nfs/dbraw/zinc/33/99/91/973339991.db2.gz TVPNSFHWNKSQPY-UHFFFAOYSA-N 1 0 246.276 2.480 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H]1C[C@H](O)C1 ZINC001329590267 973842707 /nfs/dbraw/zinc/84/27/07/973842707.db2.gz NRUGFAWPMTZSOX-FIQHERPVSA-N 1 0 247.338 2.362 20 10 BECDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC001277018356 974189402 /nfs/dbraw/zinc/18/94/02/974189402.db2.gz JGFJLTVJCFEHTQ-BETUJISGSA-N 1 0 246.354 2.286 20 10 BECDRO CCOCC[C@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172414503 974681883 /nfs/dbraw/zinc/68/18/83/974681883.db2.gz OXGHHNKTEJQXJF-JTQLQIEISA-N 1 0 239.315 2.003 20 10 BECDRO CN(C)c1ccc(O[C@H]2CCC[N@H+](C)C2)cc1 ZINC001227938998 975802483 /nfs/dbraw/zinc/80/24/83/975802483.db2.gz IAFRKMMRZVULHE-AWEZNQCLSA-N 1 0 234.343 2.226 20 10 BECDRO Oc1ccc(F)cc1Nc1cc[nH+]cc1 ZINC001173883796 975955892 /nfs/dbraw/zinc/95/58/92/975955892.db2.gz TUTGAVXRJXZZHV-UHFFFAOYSA-N 1 0 204.204 2.092 20 10 BECDRO CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(N)cc1 ZINC001334775505 976643554 /nfs/dbraw/zinc/64/35/54/976643554.db2.gz ZXEDAZMKCWCHBW-AWEZNQCLSA-N 1 0 235.375 2.074 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC001335289563 976933225 /nfs/dbraw/zinc/93/32/25/976933225.db2.gz OVKSKTLMWWLUAQ-CHWSQXEVSA-N 1 0 248.395 2.454 20 10 BECDRO Cc1cc(Nc2c(O)cccc2F)cc[nH+]1 ZINC001174655959 976947278 /nfs/dbraw/zinc/94/72/78/976947278.db2.gz YNSLWQMRWBQGKI-UHFFFAOYSA-N 1 0 218.231 2.400 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC001336117414 977518679 /nfs/dbraw/zinc/51/86/79/977518679.db2.gz MJCWMBFUHQSCLX-ZIAGYGMSSA-N 1 0 246.354 2.127 20 10 BECDRO Cc1cccc(C[N@@H+]2CCOC3(CC3)C2)c1O ZINC001231594308 977640055 /nfs/dbraw/zinc/64/00/55/977640055.db2.gz DQHYBVDTPMJPOS-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1cccc(C[N@H+](C)Cc2cncnc2)c1O ZINC001231594916 977640460 /nfs/dbraw/zinc/64/04/60/977640460.db2.gz NCHHOSSSIRRHIK-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c1O ZINC001231590763 977641220 /nfs/dbraw/zinc/64/12/20/977641220.db2.gz HMFSFRPDGXFQSO-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO CC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231594035 977642828 /nfs/dbraw/zinc/64/28/28/977642828.db2.gz BXBDWMIQMYCTRN-GFCCVEGCSA-N 1 0 233.311 2.112 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1O ZINC001231594187 977643439 /nfs/dbraw/zinc/64/34/39/977643439.db2.gz VUIUMQGWHOJUSA-OAHLLOKOSA-N 1 0 247.338 2.456 20 10 BECDRO COc1cc(C[N@@H+]2CCC[C@@H]2C)c(O)cc1O ZINC001231634275 977652770 /nfs/dbraw/zinc/65/27/70/977652770.db2.gz KOPGRKYSYPSJBP-VIFPVBQESA-N 1 0 237.299 2.091 20 10 BECDRO COC[C@@H]1CC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231850146 977758279 /nfs/dbraw/zinc/75/82/79/977758279.db2.gz KTWCTDAXWMXWIF-LBPRGKRZSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCC(=O)[C@H](C)C2)c(O)c1 ZINC001231843307 977762742 /nfs/dbraw/zinc/76/27/42/977762742.db2.gz VLDATGNCUWTSKT-GFCCVEGCSA-N 1 0 247.338 2.420 20 10 BECDRO Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCN(C)C2)c(O)c1 ZINC001231846443 977765456 /nfs/dbraw/zinc/76/54/56/977765456.db2.gz MAJXPNXPXUXYJK-CYBMUJFWSA-N 1 0 248.370 2.145 20 10 BECDRO CC(=O)[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231848578 977766745 /nfs/dbraw/zinc/76/67/45/977766745.db2.gz IVUJESICRFAXSB-CYBMUJFWSA-N 1 0 247.338 2.420 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]23CCOC3)c(O)c1 ZINC001231850828 977769751 /nfs/dbraw/zinc/76/97/51/977769751.db2.gz VFNYXBIUWBTVMN-HNNXBMFYSA-N 1 0 247.338 2.374 20 10 BECDRO CO[C@H](C)C1C[NH+](Cc2c(C)cc(C)cc2O)C1 ZINC001231850909 977770741 /nfs/dbraw/zinc/77/07/41/977770741.db2.gz WHRMIXBDGWNWAA-GFCCVEGCSA-N 1 0 249.354 2.476 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)C2CC2)c(O)c1 ZINC001232834145 978304222 /nfs/dbraw/zinc/30/42/22/978304222.db2.gz IHJNSILLBGPEKY-UHFFFAOYSA-N 1 0 220.316 2.052 20 10 BECDRO C[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232835625 978311569 /nfs/dbraw/zinc/31/15/69/978311569.db2.gz DNQDETIROVOVGF-SNVBAGLBSA-N 1 0 220.316 2.052 20 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Cc1cccc(O)c1C[N@H+]1CCC[C@H]1CN(C)C ZINC001237490024 979919188 /nfs/dbraw/zinc/91/91/88/979919188.db2.gz PCBRNZHBTSIUDK-ZDUSSCGKSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237493414 979920106 /nfs/dbraw/zinc/92/01/06/979920106.db2.gz YFPFYLWUZJWOLQ-SWLSCSKDSA-N 1 0 247.338 2.311 20 10 BECDRO CCc1n[nH]cc1C[N@H+](C)Cc1ccccc1O ZINC001237657530 980024753 /nfs/dbraw/zinc/02/47/53/980024753.db2.gz FTJWKLKXBRVQEX-UHFFFAOYSA-N 1 0 245.326 2.310 20 10 BECDRO Cc1cc(F)cc(C[N@H+]2CC[C@@H]2C)c1O ZINC001238064887 980132179 /nfs/dbraw/zinc/13/21/79/980132179.db2.gz RFRTZWNJIIKGRL-VIFPVBQESA-N 1 0 209.264 2.434 20 10 BECDRO Nc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC001345159317 980570632 /nfs/dbraw/zinc/57/06/32/980570632.db2.gz GBVXXWUQXJAVNY-UKRRQHHQSA-N 1 0 246.354 2.270 20 10 BECDRO C[C@@H](CO)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001345159553 980570818 /nfs/dbraw/zinc/57/08/18/980570818.db2.gz KDOKNLVPOSZQID-LBPRGKRZSA-N 1 0 248.370 2.109 20 10 BECDRO Cn1ccc2c1cc[nH+]c2-c1ccc2ncnn2c1 ZINC001240354037 981309760 /nfs/dbraw/zinc/30/97/60/981309760.db2.gz AEPHOMPYYKXCIB-UHFFFAOYSA-N 1 0 249.277 2.283 20 10 BECDRO C[C@]1(CF)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874731 982551219 /nfs/dbraw/zinc/55/12/19/982551219.db2.gz CEEKQLANYZMXTQ-CYBMUJFWSA-N 1 0 239.290 2.279 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC001352788501 982579347 /nfs/dbraw/zinc/57/93/47/982579347.db2.gz FDYXGRMGFFWWSM-LBPRGKRZSA-N 1 0 238.281 2.500 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2CN)c1 ZINC001205831644 982680310 /nfs/dbraw/zinc/68/03/10/982680310.db2.gz YFWXFXZVJOEKDF-GXTWGEPZSA-N 1 0 248.370 2.260 20 10 BECDRO C[C@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203931063 982903404 /nfs/dbraw/zinc/90/34/04/982903404.db2.gz MOKXFCMKPACVOL-NSHDSACASA-N 1 0 204.317 2.347 20 10 BECDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000687213448 985270738 /nfs/dbraw/zinc/27/07/38/985270738.db2.gz WABOOYGSNSVHGW-YPMHNXCESA-N 1 0 235.327 2.392 20 10 BECDRO CCc1cccc(C[N@H+](C)C[C@@H](C)OC)c1O ZINC000692108854 985413795 /nfs/dbraw/zinc/41/37/95/985413795.db2.gz LHKAVFDDTOJNHJ-LLVKDONJSA-N 1 0 237.343 2.421 20 10 BECDRO CC(C)(C)[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001253729845 986342236 /nfs/dbraw/zinc/34/22/36/986342236.db2.gz LGHYASPQTSPEQP-CQSZACIVSA-N 1 0 249.354 2.157 20 10 BECDRO CO[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1O ZINC001462414968 986383240 /nfs/dbraw/zinc/38/32/40/986383240.db2.gz SVLYTOVWAOSIRA-QMMMGPOBSA-N 1 0 229.707 2.170 20 10 BECDRO CCc1cccc(C[NH2+]C2(CO)CCCC2)c1O ZINC000691458151 987287317 /nfs/dbraw/zinc/28/73/17/987287317.db2.gz BFXUMBWBWUBHBK-UHFFFAOYSA-N 1 0 249.354 2.349 20 10 BECDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000694325414 987323488 /nfs/dbraw/zinc/32/34/88/987323488.db2.gz WAAACIRLDDBTFD-SUHUHFCYSA-N 1 0 233.311 2.147 20 10 BECDRO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC001474569075 987762078 /nfs/dbraw/zinc/76/20/78/987762078.db2.gz NCTMGDHMUYDORC-GHMZBOCLSA-N 1 0 241.718 2.049 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccc(N)cc2)C2(CCC2)CO1 ZINC001120269638 989624025 /nfs/dbraw/zinc/62/40/25/989624025.db2.gz WVLFOWDSWTXSJY-LBPRGKRZSA-N 1 0 246.354 2.412 20 10 BECDRO C[C@H]1CC(=O)CCN1Cc1cccc(F)c1O ZINC001138123891 990885988 /nfs/dbraw/zinc/88/59/88/990885988.db2.gz QBAXIEDZWHPKQZ-VIFPVBQESA-N 1 0 237.274 2.085 20 10 BECDRO Cc1cc(C[N@H+](C)CC2COC2)ccc1N(C)C ZINC001139673015 991312549 /nfs/dbraw/zinc/31/25/49/991312549.db2.gz OGRLYQVPFXUNLY-UHFFFAOYSA-N 1 0 248.370 2.139 20 10 BECDRO Cc1cc(C[N@H+](C)C2(C)COC2)ccc1N(C)C ZINC001139672874 991314550 /nfs/dbraw/zinc/31/45/50/991314550.db2.gz KZJWKODYUZAKEU-UHFFFAOYSA-N 1 0 248.370 2.282 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CCOC[C@H](C)C2)c1O ZINC001140178244 991548916 /nfs/dbraw/zinc/54/89/16/991548916.db2.gz FDYHBCDFLHOCMP-LLVKDONJSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1ccc(C)c(C[N@@H+](C)C2(C)COC2)c1O ZINC001140181565 991549147 /nfs/dbraw/zinc/54/91/47/991549147.db2.gz DGEMKHAKNOHAFH-UHFFFAOYSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC001140178748 991550764 /nfs/dbraw/zinc/55/07/64/991550764.db2.gz WNVPYTMXXWNGCW-GXTWGEPZSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CC[C@H](N(C)C)C2)c1O ZINC001140181059 991551787 /nfs/dbraw/zinc/55/17/87/991551787.db2.gz UZYWZMOQWHOFDV-ZDUSSCGKSA-N 1 0 248.370 2.145 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC001140181548 991552258 /nfs/dbraw/zinc/55/22/58/991552258.db2.gz CZNAUWFWSZWYPU-HNNXBMFYSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1ccc(C)c(C[N@@H+](C)CC2(C)COC2)c1O ZINC001140182378 991558374 /nfs/dbraw/zinc/55/83/74/991558374.db2.gz RGRLOYHWGOLYMA-UHFFFAOYSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1ccc(C)c(CN2CC(C)([NH+](C)C)C2)c1O ZINC001140182316 991558741 /nfs/dbraw/zinc/55/87/41/991558741.db2.gz ORLFLSQMEVSBMV-UHFFFAOYSA-N 1 0 248.370 2.145 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]23CCOC3)c1O ZINC001140184703 991559229 /nfs/dbraw/zinc/55/92/29/991559229.db2.gz FJHYHPRAIVZIIB-HNNXBMFYSA-N 1 0 247.338 2.374 20 10 BECDRO C[NH2+]CCN[C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001261423623 992298479 /nfs/dbraw/zinc/29/84/79/992298479.db2.gz ANCZGBTVCGCZLO-WDEREUQCSA-N 1 0 234.343 2.058 20 10 BECDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](O)[C@H]2C)c1 ZINC001262055390 992640039 /nfs/dbraw/zinc/64/00/39/992640039.db2.gz JATKRMJLDDWQRM-TZMCWYRMSA-N 1 0 249.354 2.354 20 10 BECDRO Nc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC001262487691 992892648 /nfs/dbraw/zinc/89/26/48/992892648.db2.gz ASSPYWXCQJPMKO-UHFFFAOYSA-N 1 0 233.359 2.020 20 10 BECDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(N)cc2)C1 ZINC001575697090 993094514 /nfs/dbraw/zinc/09/45/14/993094514.db2.gz PBUSYPPZSVBGLN-OAHLLOKOSA-N 1 0 247.386 2.183 20 10 BECDRO CC(C)c1ccc(O)c(CN2CC[NH2+][C@@H](C)C2)c1 ZINC001575858764 993114964 /nfs/dbraw/zinc/11/49/64/993114964.db2.gz NJGNFVHNMWKJAO-LBPRGKRZSA-N 1 0 248.370 2.309 20 10 BECDRO CCCCN(C)CC[NH2+]Cc1ccc(N)cc1 ZINC001577445372 993662229 /nfs/dbraw/zinc/66/22/29/993662229.db2.gz OYELCGWPHULTSO-UHFFFAOYSA-N 1 0 235.375 2.090 20 10 BECDRO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000389280232 993743045 /nfs/dbraw/zinc/74/30/45/993743045.db2.gz UJRUMNXYDMNSEF-CQSZACIVSA-N 1 0 248.370 2.187 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)[C@@H](C)O ZINC001615686623 1170530309 /nfs/dbraw/zinc/53/03/09/1170530309.db2.gz RSROWVGUFAHEBF-VXGBXAGGSA-N 1 0 237.343 2.374 20 10 BECDRO C[C@H](Cc1ccco1)[NH2+]Cc1ccc(O)cc1O ZINC000036993626 1170925011 /nfs/dbraw/zinc/92/50/11/1170925011.db2.gz GDJSCBUXUFVGPR-SNVBAGLBSA-N 1 0 247.294 2.412 20 10 BECDRO CC[N@@H+](Cc1ccc(N)cc1)C[C@@H]1CCOC1 ZINC000041079468 1171166668 /nfs/dbraw/zinc/16/66/68/1171166668.db2.gz XFHGNDXYZGRYRC-ZDUSSCGKSA-N 1 0 234.343 2.127 20 10 BECDRO CCn1cc(C[N@H+](C)Cc2ccc(N)cc2)cn1 ZINC000050540160 1171814430 /nfs/dbraw/zinc/81/44/30/1171814430.db2.gz NAJAYDXCEORNHL-UHFFFAOYSA-N 1 0 244.342 2.117 20 10 BECDRO C[N@@H+](Cc1ccc(N)cc1)CC1CCOCC1 ZINC000052173199 1171949166 /nfs/dbraw/zinc/94/91/66/1171949166.db2.gz FALPREIIGRUNCU-UHFFFAOYSA-N 1 0 234.343 2.127 20 10 BECDRO CCC(CC)(CO)C[NH2+]Cc1ccccc1O ZINC000159552974 168328022 /nfs/dbraw/zinc/32/80/22/168328022.db2.gz WJUPRZSFTKBVKS-UHFFFAOYSA-N 1 0 237.343 2.281 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2C)c(O)c1 ZINC000071333186 398147059 /nfs/dbraw/zinc/14/70/59/398147059.db2.gz RKDDKUMBCGJFJG-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cc(O)c(C[NH2+]C(C)(C)CCO)cc1C ZINC000266172481 178197369 /nfs/dbraw/zinc/19/73/69/178197369.db2.gz RVTNCSDMIZEBTL-UHFFFAOYSA-N 1 0 237.343 2.260 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H](C)CF)cc1C ZINC000288421188 178197778 /nfs/dbraw/zinc/19/77/78/178197778.db2.gz JSLUMWKKIKWGFA-SNVBAGLBSA-N 1 0 211.280 2.457 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC2=CCCOC2)cc1C ZINC000288557191 178197886 /nfs/dbraw/zinc/19/78/86/178197886.db2.gz YHBZCGSOBGODIG-UHFFFAOYSA-N 1 0 247.338 2.445 20 10 BECDRO CC[C@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294304530 398260774 /nfs/dbraw/zinc/26/07/74/398260774.db2.gz NNYLMPYHWPXLOQ-RYUDHWBXSA-N 1 0 237.343 2.431 20 10 BECDRO C[N@@H+](Cc1ccccc1O)CC1=CCCOC1 ZINC000091974599 398304330 /nfs/dbraw/zinc/30/43/30/398304330.db2.gz VBIBCFMZPXMISH-UHFFFAOYSA-N 1 0 233.311 2.171 20 10 BECDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccccc1O ZINC000128224792 398339772 /nfs/dbraw/zinc/33/97/72/398339772.db2.gz WMNDEMWEVMIVIJ-BIMULSAOSA-N 1 0 235.327 2.202 20 10 BECDRO [O-]c1c(F)cccc1C[N@@H+]1CCCSCC1 ZINC000273444481 187336686 /nfs/dbraw/zinc/33/66/86/187336686.db2.gz XDLQXJOZCCLLTI-UHFFFAOYSA-N 1 0 241.331 2.470 20 10 BECDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000293920852 187242014 /nfs/dbraw/zinc/24/20/14/187242014.db2.gz XIEBISBCCFSVBI-LBPRGKRZSA-N 1 0 221.300 2.049 20 10 BECDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(N(C)C)cc1 ZINC000038087597 343369877 /nfs/dbraw/zinc/36/98/77/343369877.db2.gz BNTHOHRWAYGDTO-QWHCGFSZSA-N 1 0 249.402 2.353 20 10 BECDRO CC1(C)C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000045118289 187269370 /nfs/dbraw/zinc/26/93/70/187269370.db2.gz MBTRBFQAMIJPDL-GFCCVEGCSA-N 1 0 235.283 2.009 20 10 BECDRO CC(C)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000065943617 343836141 /nfs/dbraw/zinc/83/61/41/343836141.db2.gz QVTIQWBUSVOQIR-UHFFFAOYSA-N 1 0 237.299 2.209 20 10 BECDRO CCN1CCC[C@H]1C[NH2+]Cc1cccc(C)c1O ZINC000124642015 345048074 /nfs/dbraw/zinc/04/80/74/345048074.db2.gz YWWDBLUZFLCVSK-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)C)c(O)c1 ZINC000168777449 178890160 /nfs/dbraw/zinc/89/01/60/178890160.db2.gz QFCAVOKSASDPCA-SMDDNHRTSA-N 1 0 237.343 2.368 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000093483085 345674009 /nfs/dbraw/zinc/67/40/09/345674009.db2.gz VOZIKSISFUZGII-TZMCWYRMSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1O ZINC000275905777 179068281 /nfs/dbraw/zinc/06/82/81/179068281.db2.gz DQRFDNPDLIXIFT-HDJSIYSDSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(C[NH+]2CCC3(CCO3)CC2)c1O ZINC000376740126 179073558 /nfs/dbraw/zinc/07/35/58/179073558.db2.gz QNSGSGXFBSKAMS-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1O ZINC000276064257 179080251 /nfs/dbraw/zinc/08/02/51/179080251.db2.gz VLYRWSOOUGILOB-CYBMUJFWSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1O ZINC000180377112 179075506 /nfs/dbraw/zinc/07/55/06/179075506.db2.gz OQVLPMIPENTOQS-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(C[NH2+]CC2=CCCOC2)c1O ZINC000289247196 179090050 /nfs/dbraw/zinc/09/00/50/179090050.db2.gz ASSAYTOONQTTCH-UHFFFAOYSA-N 1 0 233.311 2.137 20 10 BECDRO Cc1cccc(C[NH2+]CCC[C@H](C)CO)c1O ZINC000224938801 179092765 /nfs/dbraw/zinc/09/27/65/179092765.db2.gz IEXQQYHZBJQHCR-NSHDSACASA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cccc(C[NH2+]CCc2ccccn2)c1O ZINC000161121467 179092874 /nfs/dbraw/zinc/09/28/74/179092874.db2.gz VYPWXEJFCFZJNO-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1O ZINC000294026749 179093509 /nfs/dbraw/zinc/09/35/09/179093509.db2.gz NWMQCKDFPXLBOM-DOMZBBRYSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H](C)N(C)C2CC2)c1O ZINC000224804901 179093520 /nfs/dbraw/zinc/09/35/20/179093520.db2.gz YJNDIOBNQDQAME-LBPRGKRZSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1O ZINC000289863761 179094501 /nfs/dbraw/zinc/09/45/01/179094501.db2.gz VMGLGBWIMILOOA-CHWSQXEVSA-N 1 0 249.354 2.463 20 10 BECDRO c1cc(C[NH2+]CC2=CCCOC2)cc2c1OCC2 ZINC000269311575 192375996 /nfs/dbraw/zinc/37/59/96/192375996.db2.gz VXWJKUAJCNNBLT-UHFFFAOYSA-N 1 0 245.322 2.058 20 10 BECDRO CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1C ZINC000637873760 351740503 /nfs/dbraw/zinc/74/05/03/351740503.db2.gz SMAOQDQVHIBUIV-CYBMUJFWSA-N 1 0 244.338 2.395 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000123535127 188015956 /nfs/dbraw/zinc/01/59/56/188015956.db2.gz XEBBZEAMOWJRLW-WDEREUQCSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)CCCO)c1 ZINC000294690049 188269592 /nfs/dbraw/zinc/26/95/92/188269592.db2.gz CFTWYXKJYPUMSU-LBPRGKRZSA-N 1 0 237.343 2.199 20 10 BECDRO CC(C)(CCO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297507055 188283268 /nfs/dbraw/zinc/28/32/68/188283268.db2.gz CHVSNTMHSDNRFQ-LBPRGKRZSA-N 1 0 249.354 2.378 20 10 BECDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C)cc1C ZINC000038087394 188291263 /nfs/dbraw/zinc/29/12/63/188291263.db2.gz MHCNJYWWXDRUKP-LBPRGKRZSA-N 1 0 236.359 2.043 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1O ZINC000271842492 188376702 /nfs/dbraw/zinc/37/67/02/188376702.db2.gz REKWEKVVVLDNED-MQMHXKEQSA-N 1 0 249.354 2.341 20 10 BECDRO COC[C@@H](C)C[NH2+]Cc1c(O)cccc1Cl ZINC000083552213 491126496 /nfs/dbraw/zinc/12/64/96/491126496.db2.gz KXVBTOROGVPNST-VIFPVBQESA-N 1 0 243.734 2.418 20 10 BECDRO OC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296620005 183126084 /nfs/dbraw/zinc/12/60/84/183126084.db2.gz WUALKGLSXGNAQC-WXHSDQCUSA-N 1 0 247.338 2.130 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CCC1(O)CCC1)CC2 ZINC000296241105 183297550 /nfs/dbraw/zinc/29/75/50/183297550.db2.gz AWACOSKVEIYYHI-GFCCVEGCSA-N 1 0 247.338 2.274 20 10 BECDRO Oc1ccccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000179556765 183301775 /nfs/dbraw/zinc/30/17/75/183301775.db2.gz ZYGFIGITLLNMLF-GFCCVEGCSA-N 1 0 247.338 2.393 20 10 BECDRO Oc1ccccc1CN1CC[NH+](C2CCC2)CC1 ZINC000272226297 183302245 /nfs/dbraw/zinc/30/22/45/183302245.db2.gz CXGLEFKXYIKGKM-UHFFFAOYSA-N 1 0 246.354 2.062 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000245861354 183302680 /nfs/dbraw/zinc/30/26/80/183302680.db2.gz FLKNTPGSRCKZEA-AWEZNQCLSA-N 1 0 246.354 2.062 20 10 BECDRO Oc1ccccc1C[NH2+]Cc1nccs1 ZINC000041011586 183303308 /nfs/dbraw/zinc/30/33/08/183303308.db2.gz LNWZRMMZKKWQGZ-UHFFFAOYSA-N 1 0 220.297 2.139 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCSC1 ZINC000224479277 183303738 /nfs/dbraw/zinc/30/37/38/183303738.db2.gz YIRIQMKLQCWJAZ-JTQLQIEISA-N 1 0 223.341 2.235 20 10 BECDRO CCOCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000036229206 383888740 /nfs/dbraw/zinc/88/87/40/383888740.db2.gz ULCJYAPXLNNPOV-LLVKDONJSA-N 1 0 223.316 2.388 20 10 BECDRO CC(=O)c1cc(F)cc(C[NH+]2CCCC2)c1O ZINC000037322534 383970278 /nfs/dbraw/zinc/97/02/78/383970278.db2.gz CXQQEIWABDGDSC-UHFFFAOYSA-N 1 0 237.274 2.330 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccccc1O ZINC000038088666 384067315 /nfs/dbraw/zinc/06/73/15/384067315.db2.gz JKEBYISQFMJCLO-WCQYABFASA-N 1 0 236.359 2.383 20 10 BECDRO CC[C@H](COC)[NH2+][C@H](C)c1ccccc1O ZINC000070625207 384127388 /nfs/dbraw/zinc/12/73/88/384127388.db2.gz IZUPUACWVXKAJS-GHMZBOCLSA-N 1 0 223.316 2.468 20 10 BECDRO C[N@H+](Cc1cncs1)Cc1ccccc1O ZINC000091956577 384157673 /nfs/dbraw/zinc/15/76/73/384157673.db2.gz WUYHAUJVMQKPHS-UHFFFAOYSA-N 1 0 234.324 2.481 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000071407945 384164830 /nfs/dbraw/zinc/16/48/30/384164830.db2.gz DUUVWICMDKEKOE-GFCCVEGCSA-N 1 0 245.326 2.075 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cn2ccnc2)c1 ZINC000071407953 384166395 /nfs/dbraw/zinc/16/63/95/384166395.db2.gz IUIFRBLWFJEDFA-GFCCVEGCSA-N 1 0 245.326 2.075 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000071409190 384166765 /nfs/dbraw/zinc/16/67/65/384166765.db2.gz PRABIXRGWGDLCK-TZMCWYRMSA-N 1 0 235.327 2.094 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CCC([C@@H](C)O)CC2)c1 ZINC000092970656 384203424 /nfs/dbraw/zinc/20/34/24/384203424.db2.gz QDYYOFHGKRHBDI-GFCCVEGCSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCO)c(O)c1 ZINC000132549005 384235243 /nfs/dbraw/zinc/23/52/43/384235243.db2.gz XUARHGIHUBCALW-WDEREUQCSA-N 1 0 223.316 2.122 20 10 BECDRO CC[N@H+](CCOC)Cc1cc(C)ccc1O ZINC000132694801 384244256 /nfs/dbraw/zinc/24/42/56/384244256.db2.gz JRJBKAPLFVZOAG-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000093645756 384253072 /nfs/dbraw/zinc/25/30/72/384253072.db2.gz RPFOOMUXWWUGTG-AWEZNQCLSA-N 1 0 247.338 2.311 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000094617628 384306937 /nfs/dbraw/zinc/30/69/37/384306937.db2.gz KGWNBDVENJSAGH-ZJUUUORDSA-N 1 0 239.290 2.218 20 10 BECDRO CCN(C)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618106 384307348 /nfs/dbraw/zinc/30/73/48/384307348.db2.gz WCLDBFAJLCMPBG-SNVBAGLBSA-N 1 0 240.322 2.134 20 10 BECDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(F)ccc1O ZINC000094616771 384308180 /nfs/dbraw/zinc/30/81/80/384308180.db2.gz HKWNJFYQTKCCNE-GXSJLCMTSA-N 1 0 239.290 2.361 20 10 BECDRO COC[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618018 384308540 /nfs/dbraw/zinc/30/85/40/384308540.db2.gz DTYRLMUKTXIPSO-ZJUUUORDSA-N 1 0 241.306 2.464 20 10 BECDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccccc1O ZINC000094948284 384322026 /nfs/dbraw/zinc/32/20/26/384322026.db2.gz DCAHEKRURAUZJV-RYUDHWBXSA-N 1 0 237.343 2.451 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)O)c(O)c1C ZINC000134899812 384396723 /nfs/dbraw/zinc/39/67/23/384396723.db2.gz XDDOVHDHPNBKKI-ONGXEEELSA-N 1 0 223.316 2.040 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)O)c(O)c1C ZINC000134899753 384398427 /nfs/dbraw/zinc/39/84/27/384398427.db2.gz XDDOVHDHPNBKKI-MWLCHTKSSA-N 1 0 223.316 2.040 20 10 BECDRO C[C@@H](CO)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134914625 384398788 /nfs/dbraw/zinc/39/87/88/384398788.db2.gz NPRHPLDBZJBAME-BDAKNGLRSA-N 1 0 243.734 2.325 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](C)CCO)c1ccccc1O ZINC000097439801 384519659 /nfs/dbraw/zinc/51/96/59/384519659.db2.gz CMGLHKWDOIOEOF-DGCLKSJQSA-N 1 0 237.343 2.451 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CCO)c1 ZINC000097436269 384519805 /nfs/dbraw/zinc/51/98/05/384519805.db2.gz LLYJCXDCVARJDR-RYUDHWBXSA-N 1 0 237.343 2.370 20 10 BECDRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccccc1O ZINC000020506288 384620434 /nfs/dbraw/zinc/62/04/34/384620434.db2.gz FHHPGADZQSJYJL-GFCCVEGCSA-N 1 0 245.326 2.330 20 10 BECDRO C[C@@H]([NH2+]CCO)c1ccc2ccccc2c1O ZINC000020597085 384626880 /nfs/dbraw/zinc/62/68/80/384626880.db2.gz WBAZBASYEGSKHL-SNVBAGLBSA-N 1 0 231.295 2.188 20 10 BECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000172963878 384641375 /nfs/dbraw/zinc/64/13/75/384641375.db2.gz FVRPGSQQRGKFHP-UHFFFAOYSA-N 1 0 235.283 2.105 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](C)CO)c1ccccc1O ZINC000083219983 384754173 /nfs/dbraw/zinc/75/41/73/384754173.db2.gz HXTIXRDDFWQZEC-ZYHUDNBSSA-N 1 0 223.316 2.061 20 10 BECDRO CCN(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000054110349 384822162 /nfs/dbraw/zinc/82/21/62/384822162.db2.gz HPMDZIDGVBMBBC-CYBMUJFWSA-N 1 0 249.402 2.355 20 10 BECDRO CC[C@@H]([NH2+]CCN(C)CC)c1ccccc1O ZINC000054109818 384823016 /nfs/dbraw/zinc/82/30/16/384823016.db2.gz LPGSPIVSKOIUPL-CYBMUJFWSA-N 1 0 236.359 2.385 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000126928925 384845383 /nfs/dbraw/zinc/84/53/83/384845383.db2.gz VBLVBNZSPSJVAL-TXEJJXNPSA-N 1 0 235.327 2.310 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)CO)c1ccc(N(C)C)cc1 ZINC000127576533 384916391 /nfs/dbraw/zinc/91/63/91/384916391.db2.gz VDGLQRFRIKJKFL-FZMZJTMJSA-N 1 0 236.359 2.174 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000128564979 385049625 /nfs/dbraw/zinc/04/96/25/385049625.db2.gz AJJSDMKNBJIRDT-VXGBXAGGSA-N 1 0 236.359 2.266 20 10 BECDRO CC[C@H](C[NH2+]Cc1cc(F)ccc1O)OC ZINC000290958959 385070090 /nfs/dbraw/zinc/07/00/90/385070090.db2.gz RJOKJNLHBQWRMN-LLVKDONJSA-N 1 0 227.279 2.046 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000368411169 385318016 /nfs/dbraw/zinc/31/80/16/385318016.db2.gz NBJNQJBPVNXGCL-OAHLLOKOSA-N 1 0 247.338 2.311 20 10 BECDRO CCOc1ccc(O)c(C[N@H+](C)C2CC2)c1 ZINC000153791338 385282163 /nfs/dbraw/zinc/28/21/63/385282163.db2.gz GORSHKZTUXFJRV-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO CO[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000191210539 385293384 /nfs/dbraw/zinc/29/33/84/385293384.db2.gz ZDJRDIJZURWGSH-DTWKUNHWSA-N 1 0 227.279 2.217 20 10 BECDRO CC[C@H]([NH2+]CCCCO)c1ccccc1O ZINC000193279283 385390308 /nfs/dbraw/zinc/39/03/08/385390308.db2.gz HOPTYMMIADGEQZ-LBPRGKRZSA-N 1 0 223.316 2.205 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCO)c1 ZINC000193278652 385390670 /nfs/dbraw/zinc/39/06/70/385390670.db2.gz NMUKKJHNOCMZMN-LLVKDONJSA-N 1 0 223.316 2.124 20 10 BECDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000295133709 385454735 /nfs/dbraw/zinc/45/47/35/385454735.db2.gz YMLFESDIJIGTAB-LLVKDONJSA-N 1 0 249.354 2.261 20 10 BECDRO CC[C@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000229966620 385694586 /nfs/dbraw/zinc/69/45/86/385694586.db2.gz WXLXODWVXDLBMN-QWRGUYRKSA-N 1 0 223.316 2.122 20 10 BECDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000229964521 385694742 /nfs/dbraw/zinc/69/47/42/385694742.db2.gz XMKBIQPBYDDCBZ-MNOVXSKESA-N 1 0 223.316 2.122 20 10 BECDRO C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183524910 385768488 /nfs/dbraw/zinc/76/84/88/385768488.db2.gz HZYIJRFAMFYFRF-UTUOFQBUSA-N 1 0 237.343 2.450 20 10 BECDRO C[C@H]([NH2+]CC(C)(C)CCO)c1ccccc1O ZINC000183538576 385769237 /nfs/dbraw/zinc/76/92/37/385769237.db2.gz PPLJGQREBWKGTD-NSHDSACASA-N 1 0 237.343 2.451 20 10 BECDRO CCC1(O)CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000271875385 385856268 /nfs/dbraw/zinc/85/62/68/385856268.db2.gz SYZUGOUPNAJDMZ-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO CC[C@@H](CO)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284977860 385891140 /nfs/dbraw/zinc/89/11/40/385891140.db2.gz GADVTXDYBLIZOE-RYUDHWBXSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)O)c(O)c1C ZINC000273581499 386014620 /nfs/dbraw/zinc/01/46/20/386014620.db2.gz MSEGSLJJLZLUOP-CMPLNLGQSA-N 1 0 237.343 2.431 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297155594 386227948 /nfs/dbraw/zinc/22/79/48/386227948.db2.gz COGUNQKTMZGUKH-FOGDFJRCSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000135215502 386490693 /nfs/dbraw/zinc/49/06/93/386490693.db2.gz BTNHTHVFINDMIB-VXGBXAGGSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000135215477 386491116 /nfs/dbraw/zinc/49/11/16/386491116.db2.gz BTNHTHVFINDMIB-NWDGAFQWSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000277665327 386456260 /nfs/dbraw/zinc/45/62/60/386456260.db2.gz FURICZMGTMVKNF-DGCLKSJQSA-N 1 0 235.327 2.215 20 10 BECDRO C[C@H](O)CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000228037940 386535183 /nfs/dbraw/zinc/53/51/83/386535183.db2.gz YLYDQAZEGDTDPW-UWVGGRQHSA-N 1 0 241.306 2.343 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1O ZINC000278559638 386550087 /nfs/dbraw/zinc/55/00/87/386550087.db2.gz OZTIGFDMUFHJSJ-GMXVVIOVSA-N 1 0 235.327 2.468 20 10 BECDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000124406770 386630116 /nfs/dbraw/zinc/63/01/16/386630116.db2.gz YQRXXPIYHDVILL-FZMZJTMJSA-N 1 0 236.359 2.174 20 10 BECDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1ccccc1O ZINC000228799496 386618192 /nfs/dbraw/zinc/61/81/92/386618192.db2.gz CHDNFGLDWVACGY-VXGBXAGGSA-N 1 0 237.343 2.451 20 10 BECDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccccc1O ZINC000228799507 386618399 /nfs/dbraw/zinc/61/83/99/386618399.db2.gz CHDNFGLDWVACGY-NWDGAFQWSA-N 1 0 237.343 2.451 20 10 BECDRO CC[C@H](CO)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000295209183 386692710 /nfs/dbraw/zinc/69/27/10/386692710.db2.gz ZUKDENBNNMUVEL-CYBMUJFWSA-N 1 0 237.343 2.212 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CCO)c(O)c1 ZINC000293251759 386794779 /nfs/dbraw/zinc/79/47/79/386794779.db2.gz BPIMSNDITZRJDV-NEPJUHHUSA-N 1 0 237.343 2.431 20 10 BECDRO CC[C@H]([NH2+]C[C@H](C)CO)c1ccc(C)cc1O ZINC000280036702 386771902 /nfs/dbraw/zinc/77/19/02/386771902.db2.gz IMJAAHLJJKNOCI-AAEUAGOBSA-N 1 0 237.343 2.370 20 10 BECDRO COC[C@H]1CC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000293473918 386822961 /nfs/dbraw/zinc/82/29/61/386822961.db2.gz FDTCEYCBEASIPQ-CQSZACIVSA-N 1 0 248.370 2.282 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CO)c(O)c1 ZINC000284256333 387169418 /nfs/dbraw/zinc/16/94/18/387169418.db2.gz VZAXDJXLTBLKGA-MNOVXSKESA-N 1 0 223.316 2.040 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000230316103 387261454 /nfs/dbraw/zinc/26/14/54/387261454.db2.gz PWFQNVAPYKHMRD-HIFRSBDPSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC23CC(C2)CO3)cc1C ZINC000527790766 387718039 /nfs/dbraw/zinc/71/80/39/387718039.db2.gz VQAXXYDJYNPZFW-UHFFFAOYSA-N 1 0 247.338 2.278 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C2(C)CCOCC2)c1 ZINC000131174869 387783171 /nfs/dbraw/zinc/78/31/71/387783171.db2.gz XEEKIEIPLMWGGH-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CC13CC(C1)CO3)CC2 ZINC000527982348 387799624 /nfs/dbraw/zinc/79/96/24/387799624.db2.gz SYYVCXRZZXOZGK-JYHUIVOISA-N 1 0 245.322 2.148 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CC13CC(C1)CO3)CC2 ZINC000527982351 387799767 /nfs/dbraw/zinc/79/97/67/387799767.db2.gz SYYVCXRZZXOZGK-WBFHCKIUSA-N 1 0 245.322 2.148 20 10 BECDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000293140991 387877340 /nfs/dbraw/zinc/87/73/40/387877340.db2.gz UFVXYCODZRKYMT-HNNXBMFYSA-N 1 0 247.338 2.136 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)CO)c1cc(Cl)ccc1O ZINC000134925744 388481068 /nfs/dbraw/zinc/48/10/68/388481068.db2.gz CASBAUFVGCNWLF-JGVFFNPUSA-N 1 0 229.707 2.077 20 10 BECDRO CN1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000295962467 388416166 /nfs/dbraw/zinc/41/61/66/388416166.db2.gz MFYJFXUJVHMAGN-CYBMUJFWSA-N 1 0 246.354 2.063 20 10 BECDRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccccc1O ZINC000272892458 389035282 /nfs/dbraw/zinc/03/52/82/389035282.db2.gz SXWDMUXXIPAGKP-WDEREUQCSA-N 1 0 223.316 2.468 20 10 BECDRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000272892454 389036055 /nfs/dbraw/zinc/03/60/55/389036055.db2.gz SXWDMUXXIPAGKP-MNOVXSKESA-N 1 0 223.316 2.468 20 10 BECDRO CC(C)OCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000130940635 167240909 /nfs/dbraw/zinc/24/09/09/167240909.db2.gz BXCDRQMTCRIGMQ-UHFFFAOYSA-N 1 0 236.359 2.267 20 10 BECDRO CC(C)Oc1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC000037242269 167295643 /nfs/dbraw/zinc/29/56/43/167295643.db2.gz ROXSGASWEQYYEQ-NSHDSACASA-N 1 0 220.316 2.011 20 10 BECDRO CC(C)[C@@H](CCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297622508 167392522 /nfs/dbraw/zinc/39/25/22/167392522.db2.gz IZGOUEPSEOJONB-OLZOCXBDSA-N 1 0 249.354 2.376 20 10 BECDRO CCOCCC[NH2+][C@H](C)c1ccccc1O ZINC000019962913 170382892 /nfs/dbraw/zinc/38/28/92/170382892.db2.gz KTKIOXLQWPGIJH-LLVKDONJSA-N 1 0 223.316 2.469 20 10 BECDRO CCOCC[NH2+]Cc1c(O)cccc1Cl ZINC000083551959 170412023 /nfs/dbraw/zinc/41/20/23/170412023.db2.gz SMGNBLMCZBLIBC-UHFFFAOYSA-N 1 0 229.707 2.172 20 10 BECDRO CC[C@H](CCO)C[NH2+]Cc1cc(C)ccc1O ZINC000094949625 171424809 /nfs/dbraw/zinc/42/48/09/171424809.db2.gz GWWWHBNXMCGNOS-GFCCVEGCSA-N 1 0 237.343 2.199 20 10 BECDRO CC[C@H]([NH2+]CC[C@@H](C)O)c1ccccc1O ZINC000082993791 171523132 /nfs/dbraw/zinc/52/31/32/171523132.db2.gz UIRHOQXSLNICJG-PWSUYJOCSA-N 1 0 223.316 2.204 20 10 BECDRO CN(C)c1ccc(C[NH2+]C2(C)CCOCC2)cc1 ZINC000131189594 172551689 /nfs/dbraw/zinc/55/16/89/172551689.db2.gz CSCQPNOIOYLHER-UHFFFAOYSA-N 1 0 248.370 2.411 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000051990110 172553920 /nfs/dbraw/zinc/55/39/20/172553920.db2.gz SWKHRQGZECGKRC-HUUCEWRRSA-N 1 0 248.370 2.146 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1 ZINC000129219534 172554416 /nfs/dbraw/zinc/55/44/16/172554416.db2.gz WDIXTOZLEFHAQI-UONOGXRCSA-N 1 0 248.370 2.002 20 10 BECDRO CN1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296192909 173056758 /nfs/dbraw/zinc/05/67/58/173056758.db2.gz YQTCABPYSXINQR-STQMWFEESA-N 1 0 246.354 2.063 20 10 BECDRO COCC[N@@H+](Cc1ccccc1O)CC(C)C ZINC000132642954 174299382 /nfs/dbraw/zinc/29/93/82/174299382.db2.gz WXJXUAPIAYZUGD-UHFFFAOYSA-N 1 0 237.343 2.497 20 10 BECDRO COc1ccc(C[NH2+]CCN2CCCC2)cc1C ZINC000035052694 175106581 /nfs/dbraw/zinc/10/65/81/175106581.db2.gz BFSHULINXIZIGK-UHFFFAOYSA-N 1 0 248.370 2.189 20 10 BECDRO COc1ccc(O)c(C[N@H+](C)CC(C)C)c1 ZINC000132527553 175156978 /nfs/dbraw/zinc/15/69/78/175156978.db2.gz GDZVLILZJUGDDC-UHFFFAOYSA-N 1 0 223.316 2.489 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000211605078 175157237 /nfs/dbraw/zinc/15/72/37/175157237.db2.gz VPCKCIGYYXIMHN-PHIMTYICSA-N 1 0 235.327 2.489 20 10 BECDRO COc1ccc(O)c(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000211605236 175157563 /nfs/dbraw/zinc/15/75/63/175157563.db2.gz VPCKCIGYYXIMHN-GHMZBOCLSA-N 1 0 235.327 2.489 20 10 BECDRO COc1ccc(O)c(C[NH2+]C2(C)CCC2)c1 ZINC000162982274 175158122 /nfs/dbraw/zinc/15/81/22/175158122.db2.gz SYJYAUJSRAYVSW-UHFFFAOYSA-N 1 0 221.300 2.433 20 10 BECDRO COc1ccc(O)c(C[NH2+]Cc2cccn2C)c1 ZINC000119271583 175158529 /nfs/dbraw/zinc/15/85/29/175158529.db2.gz JNEXJTOENGSVHJ-UHFFFAOYSA-N 1 0 246.310 2.029 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@H]2CC2(C)C)c1 ZINC000045116524 175158546 /nfs/dbraw/zinc/15/85/46/175158546.db2.gz JBVGFBPBFQWVKD-LBPRGKRZSA-N 1 0 221.300 2.289 20 10 BECDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000162519293 175159182 /nfs/dbraw/zinc/15/91/82/175159182.db2.gz GGMHGNJOIFORPV-VHSXEESVSA-N 1 0 221.300 2.146 20 10 BECDRO COc1ccc(O)c(C[NH2+]CC(C)C)c1 ZINC000020085906 175159391 /nfs/dbraw/zinc/15/93/91/175159391.db2.gz JSCZXSBYQYFMSM-UHFFFAOYSA-N 1 0 209.289 2.146 20 10 BECDRO COc1cccc(C[NH2+]C[C@@H]2C[C@@H]2C)c1O ZINC000136401841 175264447 /nfs/dbraw/zinc/26/44/47/175264447.db2.gz ZPLDTFQPITUYDT-ONGXEEELSA-N 1 0 221.300 2.146 20 10 BECDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccccc1O ZINC000189831642 175881874 /nfs/dbraw/zinc/88/18/74/175881874.db2.gz NLLQRQYXDQUBRS-SECBINFHSA-N 1 0 245.269 2.325 20 10 BECDRO C[C@@H](c1cnccn1)[N@H+](C)Cc1ccccc1O ZINC000184654850 176035561 /nfs/dbraw/zinc/03/55/61/176035561.db2.gz SGVQILPCPATLCR-NSHDSACASA-N 1 0 243.310 2.375 20 10 BECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCCO1 ZINC000180064037 176301116 /nfs/dbraw/zinc/30/11/16/176301116.db2.gz UNDXYICXCHROEC-SNVBAGLBSA-N 1 0 239.290 2.142 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]1C ZINC000132752577 176306915 /nfs/dbraw/zinc/30/69/15/176306915.db2.gz ZLYRARXNDQHOJF-PHIMTYICSA-N 1 0 205.301 2.480 20 10 BECDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccccc1O ZINC000071011605 176920496 /nfs/dbraw/zinc/92/04/96/176920496.db2.gz WPKVOXZYNHAIAX-QWRGUYRKSA-N 1 0 221.300 2.222 20 10 BECDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183524922 177000002 /nfs/dbraw/zinc/00/00/02/177000002.db2.gz HZYIJRFAMFYFRF-SRVKXCTJSA-N 1 0 237.343 2.450 20 10 BECDRO C[C@H]1CSCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180154558 177305361 /nfs/dbraw/zinc/30/53/61/177305361.db2.gz KIGIMRSJJKINNU-VIFPVBQESA-N 1 0 241.331 2.469 20 10 BECDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226584718 177382257 /nfs/dbraw/zinc/38/22/57/177382257.db2.gz ZIWBMXSUBXSYBN-IUCAKERBSA-N 1 0 209.264 2.277 20 10 BECDRO Oc1cc2c(cc1C[NH2+]CC1CC=CC1)OCO2 ZINC000527751171 323677659 /nfs/dbraw/zinc/67/76/59/323677659.db2.gz RPIJDUIQFBVQNV-UHFFFAOYSA-N 1 0 247.294 2.177 20 10 BECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000527783706 323691049 /nfs/dbraw/zinc/69/10/49/323691049.db2.gz QTRRBFIMLJEXRB-CABCVRRESA-N 1 0 247.338 2.279 20 10 BECDRO COc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000041297973 536697019 /nfs/dbraw/zinc/69/70/19/536697019.db2.gz WKYCVHOTSPQIIR-UHFFFAOYSA-N 1 0 246.354 2.227 20 10 BECDRO CCN(C)c1ccc([C@H](C)N[C@@H](C)C[NH2+]C)cc1 ZINC000854233280 588781267 /nfs/dbraw/zinc/78/12/67/588781267.db2.gz YMHUMBRRENGYOH-STQMWFEESA-N 1 0 249.402 2.401 20 10 BECDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(C)c(C)c1O ZINC000854232442 588781272 /nfs/dbraw/zinc/78/12/72/588781272.db2.gz PVGQMFBFBNCZRD-CMPLNLGQSA-N 1 0 236.359 2.268 20 10 BECDRO C[NH2+]C[C@H](C)N[C@H](C)c1c(C)cc(C)cc1O ZINC000854233136 588781301 /nfs/dbraw/zinc/78/13/01/588781301.db2.gz YCKQDCJQKOQWDE-NWDGAFQWSA-N 1 0 236.359 2.268 20 10 BECDRO CCN(C)c1ccc([C@@H](C)N[C@H](C)C[NH2+]C)cc1 ZINC000854233276 588781592 /nfs/dbraw/zinc/78/15/92/588781592.db2.gz YMHUMBRRENGYOH-CHWSQXEVSA-N 1 0 249.402 2.401 20 10 BECDRO CSCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113313340 588831199 /nfs/dbraw/zinc/83/11/99/588831199.db2.gz UKWDWPGAIGAKIH-UHFFFAOYSA-N 1 0 242.363 2.344 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1 ZINC000775985519 583108472 /nfs/dbraw/zinc/10/84/72/583108472.db2.gz MBVSYYONAHWEBO-STQMWFEESA-N 1 0 248.370 2.225 20 10 BECDRO COCC[C@H](C)C[NH2+]Cc1ccccc1O ZINC000840955547 583183579 /nfs/dbraw/zinc/18/35/79/583183579.db2.gz SOJSNIOKHZGSOD-NSHDSACASA-N 1 0 223.316 2.154 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000840979789 583214879 /nfs/dbraw/zinc/21/48/79/583214879.db2.gz URXWDUIMWHCAOK-QWHCGFSZSA-N 1 0 249.354 2.293 20 10 BECDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877440490 583314452 /nfs/dbraw/zinc/31/44/52/583314452.db2.gz ABUYPBIJPXSUBZ-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO COc1cc(C)cc(C[NH2+]C[C@H]2C[C@H]2C)c1O ZINC000894175547 583326554 /nfs/dbraw/zinc/32/65/54/583326554.db2.gz IXXONWGOSLKDLF-GHMZBOCLSA-N 1 0 235.327 2.455 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)c(O)c1 ZINC000877578859 583336972 /nfs/dbraw/zinc/33/69/72/583336972.db2.gz NZDRQTGJHUZCCL-WCQYABFASA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000877631632 583339725 /nfs/dbraw/zinc/33/97/25/583339725.db2.gz LCDIXDCNZVAPBJ-ZDUSSCGKSA-N 1 0 249.354 2.199 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(O)c1 ZINC000877615555 583340106 /nfs/dbraw/zinc/34/01/06/583340106.db2.gz SSKNMLFLUNNWMU-PHIMTYICSA-N 1 0 239.265 2.398 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc[nH]1 ZINC000894257103 583395283 /nfs/dbraw/zinc/39/52/83/583395283.db2.gz YZVMIPJSLUFFNP-UHFFFAOYSA-N 1 0 244.342 2.074 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CC23CC3)c(O)c1OC ZINC000895009377 583567040 /nfs/dbraw/zinc/56/70/40/583567040.db2.gz WHQRHEVQTMLRIQ-NSHDSACASA-N 1 0 249.310 2.052 20 10 BECDRO CCc1cccc(C[NH2+]C[C@@H]2CC(C)=NO2)c1O ZINC000895299842 583641804 /nfs/dbraw/zinc/64/18/04/583641804.db2.gz GQZUAUVMNXEZOX-ZDUSSCGKSA-N 1 0 248.326 2.209 20 10 BECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC000895387302 583663286 /nfs/dbraw/zinc/66/32/86/583663286.db2.gz ACOFOILYVRHWPL-PHIMTYICSA-N 1 0 233.311 2.161 20 10 BECDRO CC1(C)CC[C@H](CO)[N@H+](Cc2ccccc2O)C1 ZINC000895925629 583747691 /nfs/dbraw/zinc/74/76/91/583747691.db2.gz HAJDPRHRWCAEPQ-CYBMUJFWSA-N 1 0 249.354 2.375 20 10 BECDRO CCc1cccc(C[NH+]2CC(COC)C2)c1O ZINC000895974283 583757000 /nfs/dbraw/zinc/75/70/00/583757000.db2.gz DMUSLUHELDMGEA-UHFFFAOYSA-N 1 0 235.327 2.033 20 10 BECDRO Cc1ccc(C[N@@H+]2CCO[C@H](C)CC2)c(O)c1 ZINC000896579056 583814292 /nfs/dbraw/zinc/81/42/92/583814292.db2.gz MQBHDLFPCPZEKF-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1nc(C[NH2+]Cc2cc(C)ccc2O)[nH]c1C ZINC000858239479 588940550 /nfs/dbraw/zinc/94/05/50/588940550.db2.gz OAYQIWLWZVYODU-UHFFFAOYSA-N 1 0 245.326 2.330 20 10 BECDRO Cc1cc(O)c(C[NH2+]Cc2cn(C)cn2)cc1C ZINC000898045786 584073724 /nfs/dbraw/zinc/07/37/24/584073724.db2.gz SITDFSQQNQKEDF-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO COc1ccc(O)c(C[NH2+]C/C=C/Cl)c1 ZINC000898433561 584135077 /nfs/dbraw/zinc/13/50/77/584135077.db2.gz OANGIVJENXQMPY-GORDUTHDSA-N 1 0 227.691 2.243 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000902450165 584606406 /nfs/dbraw/zinc/60/64/06/584606406.db2.gz RNSCMQYJTGFBDF-FZMZJTMJSA-N 1 0 248.370 2.349 20 10 BECDRO OC[C@@H]1CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000902628755 584646427 /nfs/dbraw/zinc/64/64/27/584646427.db2.gz DMWJLOJRKHASMP-LBPRGKRZSA-N 1 0 243.306 2.112 20 10 BECDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccccc1O ZINC000903409493 584759423 /nfs/dbraw/zinc/75/94/23/584759423.db2.gz XTMJCGWVEKHXEU-MFKMUULPSA-N 1 0 235.327 2.204 20 10 BECDRO CC[NH2+][C@H](C)CNCc1ccc2c(c1)CCCO2 ZINC000904355403 584870861 /nfs/dbraw/zinc/87/08/61/584870861.db2.gz NERHIBYPRBJNBI-GFCCVEGCSA-N 1 0 248.370 2.099 20 10 BECDRO CC[C@@H](COC)[NH2+]Cc1c(C)cccc1O ZINC000877056316 584889178 /nfs/dbraw/zinc/88/91/78/584889178.db2.gz JPJLBSSSVDZREL-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO COc1ccc(C[NH2+][C@H](CO)CC2CC2)cc1C ZINC000754834937 584932611 /nfs/dbraw/zinc/93/26/11/584932611.db2.gz PUGFQIWUEGFFRT-AWEZNQCLSA-N 1 0 249.354 2.254 20 10 BECDRO CC[C@@H]([NH2+][C@H](C)CN)c1ccc(C)cc1O ZINC000817965910 584993154 /nfs/dbraw/zinc/99/31/54/584993154.db2.gz FCGAOZLJSFONCJ-ZYHUDNBSSA-N 1 0 222.332 2.089 20 10 BECDRO Cc1cccc(C[NH+]2CC3(C2)CCCOC3)c1O ZINC000839137277 585094446 /nfs/dbraw/zinc/09/44/46/585094446.db2.gz CFTSUAVOMZFFMG-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Oc1ccccc1C[NH+]1CC(C(F)F)C1 ZINC000839140229 585094459 /nfs/dbraw/zinc/09/44/59/585094459.db2.gz CSQAPROINAUXTQ-UHFFFAOYSA-N 1 0 213.227 2.089 20 10 BECDRO COc1cccc(O)c1C[NH+]1CC(C(F)F)C1 ZINC000839141648 585094639 /nfs/dbraw/zinc/09/46/39/585094639.db2.gz VCGSVSKCJQQZOA-UHFFFAOYSA-N 1 0 243.253 2.098 20 10 BECDRO COCC1(C)C[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000839142781 585094881 /nfs/dbraw/zinc/09/48/81/585094881.db2.gz AKKSWXVACYUAGS-UHFFFAOYSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000839190676 585097459 /nfs/dbraw/zinc/09/74/59/585097459.db2.gz JJDSOMPMVIQNES-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO CCN(C)c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000741753297 585117495 /nfs/dbraw/zinc/11/74/95/585117495.db2.gz SDKAAODCBXADBX-UHFFFAOYSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(C)C2)cc1C ZINC000742367826 585124935 /nfs/dbraw/zinc/12/49/35/585124935.db2.gz KRKUOHKAFNODOL-CQSZACIVSA-N 1 0 248.370 2.193 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)C2CC2)cc1C ZINC000742370883 585125096 /nfs/dbraw/zinc/12/50/96/585125096.db2.gz TWKANDYDQARLHP-OAHLLOKOSA-N 1 0 249.354 2.260 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H](C)C(C)(C)O)cc1C ZINC000742369375 585125128 /nfs/dbraw/zinc/12/51/28/585125128.db2.gz CBHBHGBNXZRMFT-LLVKDONJSA-N 1 0 237.343 2.258 20 10 BECDRO C[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756780825 585322763 /nfs/dbraw/zinc/32/27/63/585322763.db2.gz VQRTZBFJSCXPPW-NQMVMOMDSA-N 1 0 239.290 2.050 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC2)c(O)c1C ZINC000756767348 585322835 /nfs/dbraw/zinc/32/28/35/585322835.db2.gz GJQQVKAHTQYMIW-CYBMUJFWSA-N 1 0 248.370 2.365 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC2)c(O)c1C ZINC000756767350 585323030 /nfs/dbraw/zinc/32/30/30/585323030.db2.gz GJQQVKAHTQYMIW-ZDUSSCGKSA-N 1 0 248.370 2.365 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C ZINC000769389223 585555247 /nfs/dbraw/zinc/55/52/47/585555247.db2.gz MCQNZZYBRWWKJE-JTQLQIEISA-N 1 0 221.300 2.385 20 10 BECDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCOC1 ZINC000770508700 585575394 /nfs/dbraw/zinc/57/53/94/585575394.db2.gz FHFHNSCVSQJSCA-LBPRGKRZSA-N 1 0 235.327 2.251 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C)C1 ZINC000770511076 585575420 /nfs/dbraw/zinc/57/54/20/585575420.db2.gz YSSXHCJUQCQGNF-CQSZACIVSA-N 1 0 248.370 2.308 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000773749341 585643134 /nfs/dbraw/zinc/64/31/34/585643134.db2.gz TUBOEBPYTCJRBF-HNNXBMFYSA-N 1 0 248.370 2.099 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1 ZINC000773815934 585644340 /nfs/dbraw/zinc/64/43/40/585644340.db2.gz KEAOCGUKYMLDJG-WFASDCNBSA-N 1 0 248.370 2.098 20 10 BECDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccccc1O ZINC000775136490 585672629 /nfs/dbraw/zinc/67/26/29/585672629.db2.gz KGWDRIPVNDWZIP-GWCFXTLKSA-N 1 0 247.294 2.369 20 10 BECDRO Cc1cccc(C[NH+]2CCC(CCO)CC2)c1O ZINC000775647877 585682458 /nfs/dbraw/zinc/68/24/58/585682458.db2.gz GBZVDXQQIRMKSK-UHFFFAOYSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1O ZINC000775985818 585688691 /nfs/dbraw/zinc/68/86/91/585688691.db2.gz OLOBGHLCSWHDES-STQMWFEESA-N 1 0 248.370 2.225 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c1O ZINC000776251215 585693888 /nfs/dbraw/zinc/69/38/88/585693888.db2.gz REKWEKVVVLDNED-XBXGTLAGSA-N 1 0 249.354 2.341 20 10 BECDRO CCN1C[C@@H](C)[N@H+](Cc2ccccc2O)C[C@@H]1C ZINC000779017780 585743979 /nfs/dbraw/zinc/74/39/79/585743979.db2.gz BPIOVKMFFPRZPP-QWHCGFSZSA-N 1 0 248.370 2.307 20 10 BECDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000779219356 585747349 /nfs/dbraw/zinc/74/73/49/585747349.db2.gz OBVDOGVSOYCDBX-OAHLLOKOSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]2(C)CO)cc1C ZINC000789558000 585944049 /nfs/dbraw/zinc/94/40/49/585944049.db2.gz SBJUZERTFLIRJZ-HNNXBMFYSA-N 1 0 249.354 2.356 20 10 BECDRO COc1ccc(CNc2cc[nH+]c(C)c2)c(O)c1 ZINC000795285594 586074854 /nfs/dbraw/zinc/07/48/54/586074854.db2.gz SDDOAWWFYLDOLI-UHFFFAOYSA-N 1 0 244.294 2.138 20 10 BECDRO CCOc1ccc(C[NH+]2CC(C)C2)c(O)c1 ZINC000802650807 586307487 /nfs/dbraw/zinc/30/74/87/586307487.db2.gz BCSNDUXSMPHJLM-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO Cc1cc(O)c(C[NH+]2CC(C)C2)cc1C ZINC000802651244 586307494 /nfs/dbraw/zinc/30/74/94/586307494.db2.gz KWLYHYCBJDIGOS-UHFFFAOYSA-N 1 0 205.301 2.461 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)C2(C)C)c1 ZINC000812778123 586584047 /nfs/dbraw/zinc/58/40/47/586584047.db2.gz CCECIIGKZIULOI-ZDUSSCGKSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)O)c(O)c1 ZINC000815578719 586688057 /nfs/dbraw/zinc/68/80/57/586688057.db2.gz USFISWLZGQTJCX-LLVKDONJSA-N 1 0 237.343 2.431 20 10 BECDRO CC[N@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816480589 586735927 /nfs/dbraw/zinc/73/59/27/586735927.db2.gz QHURRMJRKHZTEW-UHFFFAOYSA-N 1 0 245.322 2.360 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648720 586751145 /nfs/dbraw/zinc/75/11/45/586751145.db2.gz OAZCILCFXPCRTH-UWVGGRQHSA-N 1 0 221.300 2.241 20 10 BECDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1cccc(C)c1O ZINC000816660762 586753549 /nfs/dbraw/zinc/75/35/49/586753549.db2.gz OKQFGORJYQWFIX-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(C[NH2+]CCCC2(O)CCC2)c1O ZINC000817414402 586801771 /nfs/dbraw/zinc/80/17/71/586801771.db2.gz JIUKWSICORKPMO-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CC1 ZINC000817938172 586843871 /nfs/dbraw/zinc/84/38/71/586843871.db2.gz GCRGTKLUXGAXLW-IAQYHMDHSA-N 1 0 247.386 2.141 20 10 BECDRO CC(C)[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938197 586844211 /nfs/dbraw/zinc/84/42/11/586844211.db2.gz GPPWFMCKAYWDHC-SWLSCSKDSA-N 1 0 249.402 2.387 20 10 BECDRO CC[C@H]([NH2+]CCC[NH3+])c1cccc(Cl)c1[O-] ZINC000817938310 586844435 /nfs/dbraw/zinc/84/44/35/586844435.db2.gz IQYSIQKKAJFCSN-NSHDSACASA-N 1 0 242.750 2.435 20 10 BECDRO CC[C@H]([NH2+][C@H]1CCCNC1)c1ccccc1O ZINC000817940139 586845243 /nfs/dbraw/zinc/84/52/43/586845243.db2.gz FXQXHEDRUIEBHX-AAEUAGOBSA-N 1 0 234.343 2.185 20 10 BECDRO Cc1ccc(O)c([C@@H](C)N[C@@H]2CCC[NH2+]C2)c1 ZINC000817941157 586845550 /nfs/dbraw/zinc/84/55/50/586845550.db2.gz MWEWUJFWTRBAJE-VXGBXAGGSA-N 1 0 234.343 2.103 20 10 BECDRO CC[NH2+]CCN[C@@H](C)c1c(C)cc(C)cc1O ZINC000817951964 586847482 /nfs/dbraw/zinc/84/74/82/586847482.db2.gz MACLHASOAADBBG-LBPRGKRZSA-N 1 0 236.359 2.269 20 10 BECDRO C[NH2+]CCN[C@H](C)c1ccc2ccccc2c1O ZINC000817951643 586847676 /nfs/dbraw/zinc/84/76/76/586847676.db2.gz IMAOTHAURNDWTH-LLVKDONJSA-N 1 0 244.338 2.415 20 10 BECDRO CC[NH2+]CCN[C@H](C)c1ccc(C)c(C)c1O ZINC000817952003 586847788 /nfs/dbraw/zinc/84/77/88/586847788.db2.gz MSVGGXYXYAXLGH-GFCCVEGCSA-N 1 0 236.359 2.269 20 10 BECDRO C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817951424 586847845 /nfs/dbraw/zinc/84/78/45/586847845.db2.gz FHDIWAUSZAPEIA-YUMQZZPRSA-N 1 0 244.285 2.058 20 10 BECDRO CCN(C)c1ccc([C@@H](C)NCC[NH2+]C)cc1 ZINC000817954238 586848487 /nfs/dbraw/zinc/84/84/87/586848487.db2.gz XNRUOUHUEDRCKF-GFCCVEGCSA-N 1 0 235.375 2.013 20 10 BECDRO Cc1ccc([C@@H](C)NC[C@H]2CCC[NH2+]2)c(O)c1C ZINC000817952784 586849168 /nfs/dbraw/zinc/84/91/68/586849168.db2.gz SDLCHQQASVQIDQ-CHWSQXEVSA-N 1 0 248.370 2.412 20 10 BECDRO CC[C@@H](NC1C[NH2+]C1)c1cc(Cl)ccc1O ZINC000817955984 586849992 /nfs/dbraw/zinc/84/99/92/586849992.db2.gz MYHSPXGGRMDFCJ-LLVKDONJSA-N 1 0 240.734 2.058 20 10 BECDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCOC1 ZINC000817955880 586850080 /nfs/dbraw/zinc/85/00/80/586850080.db2.gz KCWNNAONAVAQKQ-HIFRSBDPSA-N 1 0 248.370 2.216 20 10 BECDRO C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N(C)C)cc1 ZINC000817959931 586851541 /nfs/dbraw/zinc/85/15/41/586851541.db2.gz HVBRLGQHWGDFNG-NSHDSACASA-N 1 0 235.375 2.141 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(F)cc1[O-] ZINC000817963021 586852776 /nfs/dbraw/zinc/85/27/76/586852776.db2.gz QHGPLHSMGRJHRC-BXKDBHETSA-N 1 0 240.322 2.167 20 10 BECDRO CC[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccccc1O ZINC000817961461 586852978 /nfs/dbraw/zinc/85/29/78/586852978.db2.gz ZFJYYOWKHXFKMP-OLZOCXBDSA-N 1 0 234.343 2.170 20 10 BECDRO C[C@H](NC[C@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817964540 586853669 /nfs/dbraw/zinc/85/36/69/586853669.db2.gz CBWSSDNAZJUPMQ-NHYWBVRUSA-N 1 0 247.386 2.141 20 10 BECDRO C[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817964538 586854040 /nfs/dbraw/zinc/85/40/40/586854040.db2.gz CBWSSDNAZJUPMQ-IAQYHMDHSA-N 1 0 247.386 2.141 20 10 BECDRO C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1[O-] ZINC000817965237 586854114 /nfs/dbraw/zinc/85/41/14/586854114.db2.gz RLYYPVVKDNZYMG-VIFPVBQESA-N 1 0 238.306 2.063 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2C)c(O)c1 ZINC000817969334 586855899 /nfs/dbraw/zinc/85/58/99/586855899.db2.gz USFUTYMVDQJJMB-SGMGOOAPSA-N 1 0 248.370 2.349 20 10 BECDRO CCN(C)c1ccc([C@@H](C)N[C@@H](C)C[NH3+])cc1 ZINC000817970253 586857299 /nfs/dbraw/zinc/85/72/99/586857299.db2.gz PVDSDIKIKZAJEH-NWDGAFQWSA-N 1 0 235.375 2.141 20 10 BECDRO CCN(C)c1ccc([C@H](C)N[C@@H](C)C[NH3+])cc1 ZINC000817970254 586857719 /nfs/dbraw/zinc/85/77/19/586857719.db2.gz PVDSDIKIKZAJEH-RYUDHWBXSA-N 1 0 235.375 2.141 20 10 BECDRO CC[C@@H]([NH2+][C@@H](C)CN)c1ccc(N(C)C)cc1 ZINC000817970563 586858402 /nfs/dbraw/zinc/85/84/02/586858402.db2.gz ZZEMRYNDGZXZNT-SMDDNHRTSA-N 1 0 235.375 2.141 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(Cl)c1[O-] ZINC000817973938 586859250 /nfs/dbraw/zinc/85/92/50/586859250.db2.gz WWAXPNMUEIRXSN-LDYMZIIASA-N 1 0 242.750 2.434 20 10 BECDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000818237849 586881266 /nfs/dbraw/zinc/88/12/66/586881266.db2.gz BNTWYBSBPRCSMX-JGPRNRPPSA-N 1 0 233.311 2.289 20 10 BECDRO CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(C)cc1O ZINC000818357646 586888957 /nfs/dbraw/zinc/88/89/57/586888957.db2.gz DKCFAJGUIWDLCX-JHJVBQTASA-N 1 0 235.327 2.265 20 10 BECDRO COc1cc(O)c(C[NH2+][C@@H]2CC23CC3)cc1OC ZINC000822497425 587171866 /nfs/dbraw/zinc/17/18/66/587171866.db2.gz DEIROYZADQOFTK-CYBMUJFWSA-N 1 0 249.310 2.052 20 10 BECDRO CN(C)c1ccc(C[NH+]2CC3(CC3)C2)cc1 ZINC000824533735 587274683 /nfs/dbraw/zinc/27/46/83/587274683.db2.gz LTDNQBAGQAESFW-UHFFFAOYSA-N 1 0 216.328 2.348 20 10 BECDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccccc1O ZINC000825005662 587298209 /nfs/dbraw/zinc/29/82/09/587298209.db2.gz PRXWTWDJEAOPIN-LLVKDONJSA-N 1 0 245.326 2.459 20 10 BECDRO COC[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825059380 587302024 /nfs/dbraw/zinc/30/20/24/587302024.db2.gz XXWWVMPFWZIKEH-SECBINFHSA-N 1 0 243.734 2.479 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC(C)(C)O)cc1Cl ZINC000825284413 587312951 /nfs/dbraw/zinc/31/29/51/587312951.db2.gz ZUUBAUWRWPQATE-UHFFFAOYSA-N 1 0 243.734 2.215 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000827506063 587384902 /nfs/dbraw/zinc/38/49/02/587384902.db2.gz BWRWJVHPPFGNRX-GHMZBOCLSA-N 1 0 233.311 2.243 20 10 BECDRO COc1ccc(C[NH2+]C2([C@@H](C)O)CC2)cc1C ZINC000827579928 587389724 /nfs/dbraw/zinc/38/97/24/587389724.db2.gz LTYFMOMXGJZFPT-LLVKDONJSA-N 1 0 235.327 2.007 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c(O)c1C ZINC000834906629 587770317 /nfs/dbraw/zinc/77/03/17/587770317.db2.gz QVXPPRGLMYCMOZ-UTUOFQBUSA-N 1 0 235.327 2.183 20 10 BECDRO CC[C@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000835033658 587779324 /nfs/dbraw/zinc/77/93/24/587779324.db2.gz IKTDRYPPFNMJDV-VIFPVBQESA-N 1 0 209.289 2.289 20 10 BECDRO C[C@@H](CO)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835053911 587779605 /nfs/dbraw/zinc/77/96/05/587779605.db2.gz QDZJIGZYAQCPCM-SZZPACECSA-N 1 0 248.370 2.078 20 10 BECDRO CCC1C[NH+](Cc2c(O)cccc2OC)C1 ZINC000835073624 587780365 /nfs/dbraw/zinc/78/03/65/587780365.db2.gz DKXHOYUCURWBQB-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO CCOc1ccc(CNc2[nH+]ccn2C)c(O)c1 ZINC000840888048 587927900 /nfs/dbraw/zinc/92/79/00/587927900.db2.gz VUUCAJNGCCLJMS-UHFFFAOYSA-N 1 0 247.298 2.137 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@@H](O)C(C)C ZINC000840968098 587932308 /nfs/dbraw/zinc/93/23/08/587932308.db2.gz VIWAILWOVGZRLT-OCCSQVGLSA-N 1 0 237.343 2.277 20 10 BECDRO Cc1cc(O)c(CNCC(C)(C)[NH3+])c(Cl)c1 ZINC000841030867 587934853 /nfs/dbraw/zinc/93/48/53/587934853.db2.gz MQVYLOMELHUQCG-UHFFFAOYSA-N 1 0 242.750 2.181 20 10 BECDRO CCC([NH3+])(CC)CNCc1ccc2c(c1)CCO2 ZINC000841030388 587935969 /nfs/dbraw/zinc/93/59/69/587935969.db2.gz HCSPIKGSAJYNPB-UHFFFAOYSA-N 1 0 248.370 2.229 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](CN)CC(C)C)c1 ZINC000841037922 587937796 /nfs/dbraw/zinc/93/77/96/587937796.db2.gz CWJCNYSNBYNMCN-ZDUSSCGKSA-N 1 0 236.359 2.164 20 10 BECDRO [NH3+]C1(CNCc2c(O)cccc2Cl)CCC1 ZINC000841052445 587940098 /nfs/dbraw/zinc/94/00/98/587940098.db2.gz WXJWVNPBLSVKOP-UHFFFAOYSA-N 1 0 240.734 2.017 20 10 BECDRO Cc1cc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000841059984 587941109 /nfs/dbraw/zinc/94/11/09/587941109.db2.gz ZHWSVZKLAOUWNQ-IINYFYTJSA-N 1 0 248.370 2.097 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](CN)C(C)(C)C)c1 ZINC000841087412 587945599 /nfs/dbraw/zinc/94/55/99/587945599.db2.gz NOGQOYHVNPWUED-CYBMUJFWSA-N 1 0 236.359 2.164 20 10 BECDRO COc1ccc(CN[C@H]2CC[NH2+]C2(C)C)cc1C ZINC000841087301 587945845 /nfs/dbraw/zinc/94/58/45/587945845.db2.gz UGBRJUDKKVRBAB-AWEZNQCLSA-N 1 0 248.370 2.234 20 10 BECDRO CN(CC[NH3+])Cc1ccc(N2CCCCC2)cc1 ZINC000841099386 587946394 /nfs/dbraw/zinc/94/63/94/587946394.db2.gz JPPLOWWBMKSJEJ-UHFFFAOYSA-N 1 0 247.386 2.067 20 10 BECDRO CCn1cncc1C[N@H+](C)Cc1ccccc1O ZINC000841834374 587976952 /nfs/dbraw/zinc/97/69/52/587976952.db2.gz PQQLSIHOOLRQAW-UHFFFAOYSA-N 1 0 245.326 2.241 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000842681939 588052049 /nfs/dbraw/zinc/05/20/49/588052049.db2.gz VQMGIZVLDMHSFX-GXTWGEPZSA-N 1 0 248.370 2.328 20 10 BECDRO Cc1cc(O)c(CN(C)[C@H](C)C[NH3+])c(Cl)c1 ZINC000843053123 588077206 /nfs/dbraw/zinc/07/72/06/588077206.db2.gz YRBHHUWYDJAPRE-SECBINFHSA-N 1 0 242.750 2.133 20 10 BECDRO Cc1cc(O)c(CN(C)C2(C[NH3+])CCC2)cc1C ZINC000843124509 588083392 /nfs/dbraw/zinc/08/33/92/588083392.db2.gz BRBXHLIVSUFYRR-UHFFFAOYSA-N 1 0 248.370 2.322 20 10 BECDRO Cc1cccc(C[NH2+]CCC2(CO)CCC2)c1O ZINC000846104927 588256613 /nfs/dbraw/zinc/25/66/13/588256613.db2.gz MWWSINCNJUJRDB-UHFFFAOYSA-N 1 0 249.354 2.343 20 10 BECDRO COc1cccc([C@H](C)[NH2+]CC2CC2)c1O ZINC000846139624 588258382 /nfs/dbraw/zinc/25/83/82/588258382.db2.gz YCVNLVAMRXWARS-VIFPVBQESA-N 1 0 221.300 2.461 20 10 BECDRO CCc1cccc(C[NH2+][C@H](CCO)C2CC2)c1O ZINC000848896472 588417489 /nfs/dbraw/zinc/41/74/89/588417489.db2.gz BKQYRHDWDOLCQV-CQSZACIVSA-N 1 0 249.354 2.205 20 10 BECDRO CCc1cccc(C[N@@H+](CC)[C@@H](C)CO)c1O ZINC000848914939 588420053 /nfs/dbraw/zinc/42/00/53/588420053.db2.gz VPPPDYWHEKLMEG-NSHDSACASA-N 1 0 237.343 2.157 20 10 BECDRO CCc1cccc(C[N@H+](C[C@H](C)O)C2CC2)c1O ZINC000848929720 588421895 /nfs/dbraw/zinc/42/18/95/588421895.db2.gz ZAARVAUHIJIYNK-NSHDSACASA-N 1 0 249.354 2.300 20 10 BECDRO CC(C)NC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849049507 588451397 /nfs/dbraw/zinc/45/13/97/588451397.db2.gz RGOCNPDEBIEJQC-UHFFFAOYSA-N 1 0 241.722 2.068 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)C2CCC2)cc1C ZINC000850350094 588537895 /nfs/dbraw/zinc/53/78/95/588537895.db2.gz OGMOLYZQMZJBLT-AWEZNQCLSA-N 1 0 249.354 2.260 20 10 BECDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000850360681 588540522 /nfs/dbraw/zinc/54/05/22/588540522.db2.gz MOSDHJAQJWCLMS-HAQNSBGRSA-N 1 0 221.300 2.049 20 10 BECDRO COc1cccc(O)c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850393165 588543573 /nfs/dbraw/zinc/54/35/73/588543573.db2.gz PPZZACBIMHHVTF-WDAIWFPHSA-N 1 0 233.311 2.289 20 10 BECDRO CC[C@H]([NH2+]C/C=C/CO)c1ccc(C)cc1O ZINC000850507190 588553298 /nfs/dbraw/zinc/55/32/98/588553298.db2.gz DTJPKNCVGVYNMH-IHVVCDCBSA-N 1 0 235.327 2.290 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C/C=C/CO)cc1 ZINC000850506939 588553352 /nfs/dbraw/zinc/55/33/52/588553352.db2.gz CRQGKVCAQIKKSI-URWSZGRFSA-N 1 0 248.370 2.342 20 10 BECDRO CC[C@H]([NH2+]C/C=C/CO)c1ccc(N(C)C)cc1 ZINC000850506788 588553524 /nfs/dbraw/zinc/55/35/24/588553524.db2.gz BXGAEYSOJQYAHD-NFAHFFEMSA-N 1 0 248.370 2.342 20 10 BECDRO CC[C@@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000850529121 588557995 /nfs/dbraw/zinc/55/79/95/588557995.db2.gz NNYLMPYHWPXLOQ-NWDGAFQWSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c(O)c1 ZINC000850579075 588561636 /nfs/dbraw/zinc/56/16/36/588561636.db2.gz SJCCEBCQBHUXFJ-SRVKXCTJSA-N 1 0 235.327 2.183 20 10 BECDRO CN(C(=O)C=C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000852813999 588705176 /nfs/dbraw/zinc/70/51/76/588705176.db2.gz HAXWOFOGFOOVEZ-UHFFFAOYSA-N 1 0 248.301 2.098 20 10 BECDRO CC[C@H](C)[N@H+](CCO)Cc1cc(F)ccc1O ZINC000862388206 589207287 /nfs/dbraw/zinc/20/72/87/589207287.db2.gz XXYQAOVUTXWLAL-JTQLQIEISA-N 1 0 241.306 2.124 20 10 BECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000862440954 589213072 /nfs/dbraw/zinc/21/30/72/589213072.db2.gz MSGZIQDMGPFBAB-PHIMTYICSA-N 1 0 233.311 2.243 20 10 BECDRO Cc1cc(O)c(CN[C@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000863484174 589293096 /nfs/dbraw/zinc/29/30/96/589293096.db2.gz HPZDHJOGURHQET-OCCSQVGLSA-N 1 0 248.370 2.239 20 10 BECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccccc1O ZINC000863543346 589296867 /nfs/dbraw/zinc/29/68/67/589296867.db2.gz MWBXFUKVMVFMDQ-WCFLWFBJSA-N 1 0 234.343 2.183 20 10 BECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cc(C)ccc1O ZINC000863542813 589296886 /nfs/dbraw/zinc/29/68/86/589296886.db2.gz GHALNMSAFPLMMD-FPMFFAJLSA-N 1 0 248.370 2.492 20 10 BECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCc2cccc(O)c21 ZINC000863543518 589296966 /nfs/dbraw/zinc/29/69/66/589296966.db2.gz PSENRTGSBBFOSQ-XQQFMLRXSA-N 1 0 246.354 2.110 20 10 BECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(C)cc1O ZINC000863543327 589297382 /nfs/dbraw/zinc/29/73/82/589297382.db2.gz MLMOGXSCFQYVMV-FPMFFAJLSA-N 1 0 248.370 2.492 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863545806 589297710 /nfs/dbraw/zinc/29/77/10/589297710.db2.gz HRRNOLHBWZJTGP-AGIUHOORSA-N 1 0 248.370 2.492 20 10 BECDRO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C)cc1O ZINC000863547704 589298374 /nfs/dbraw/zinc/29/83/74/589298374.db2.gz VVMUINUCGFNXAV-IACUBPJLSA-N 1 0 248.370 2.492 20 10 BECDRO COC1(C[NH2+]CCc2ccc(N)cc2)CCCC1 ZINC000863642330 589306727 /nfs/dbraw/zinc/30/67/27/589306727.db2.gz XKPULXADIZISHM-UHFFFAOYSA-N 1 0 248.370 2.360 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H]2O)cc1C ZINC000865736503 589459414 /nfs/dbraw/zinc/45/94/14/589459414.db2.gz HLHJSCLPMQPHKJ-STQMWFEESA-N 1 0 235.327 2.012 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c(O)c1 ZINC000866416323 589491556 /nfs/dbraw/zinc/49/15/56/589491556.db2.gz SBHXIYBMSYBSIJ-RWMBFGLXSA-N 1 0 249.354 2.431 20 10 BECDRO OCC1(C[NH2+]Cc2ccccc2O)CCCCC1 ZINC000122874087 589640424 /nfs/dbraw/zinc/64/04/24/589640424.db2.gz GPFKSHYMHOYIML-UHFFFAOYSA-N 1 0 249.354 2.425 20 10 BECDRO CCCOc1ccc(C[NH2+]C[C@@H](C)O)cc1C ZINC000873006343 589978977 /nfs/dbraw/zinc/97/89/77/589978977.db2.gz FLUVAQDQXMKANS-GFCCVEGCSA-N 1 0 237.343 2.254 20 10 BECDRO Cc1ccc(O)c(CN[C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230423 590001808 /nfs/dbraw/zinc/00/18/08/590001808.db2.gz RFGHINZSBXEKTI-HUUCEWRRSA-N 1 0 246.354 2.075 20 10 BECDRO Cc1cccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230655 590003011 /nfs/dbraw/zinc/00/30/11/590003011.db2.gz VNTQVJMAZRXZFD-UKRRQHHQSA-N 1 0 246.354 2.075 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000124811736 590090583 /nfs/dbraw/zinc/09/05/83/590090583.db2.gz NWARMTVKTUWSAM-ZDUSSCGKSA-N 1 0 248.370 2.132 20 10 BECDRO COC[C@@H]([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000124825749 590091544 /nfs/dbraw/zinc/09/15/44/590091544.db2.gz SIIIFMHHHVGYEC-CYBMUJFWSA-N 1 0 237.343 2.461 20 10 BECDRO CC[C@H](CCO)C[NH2+]Cc1cccc(C)c1O ZINC000124859477 590094490 /nfs/dbraw/zinc/09/44/90/590094490.db2.gz DVKUJZXLSXPHRS-GFCCVEGCSA-N 1 0 237.343 2.199 20 10 BECDRO CN(C(=O)/C=C/[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000876545466 590213560 /nfs/dbraw/zinc/21/35/60/590213560.db2.gz NUAZSGWAAMYCKR-WTNCMQEWSA-N 1 0 244.338 2.205 20 10 BECDRO CC[N@H+](CCOC)Cc1ccc(C)cc1O ZINC000876568497 590216760 /nfs/dbraw/zinc/21/67/60/590216760.db2.gz INNRKMZEOQLUIC-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO CC[N@H+](CCOC)Cc1c(C)cccc1O ZINC000876568458 590217227 /nfs/dbraw/zinc/21/72/27/590217227.db2.gz IBMUJCWPTSSBRL-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO Cc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000876684428 590230052 /nfs/dbraw/zinc/23/00/52/590230052.db2.gz MXUKSPWPRKENLT-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO CCN1CC[N@H+](Cc2c(C)cccc2O)C[C@@H]1C ZINC000876715765 590232715 /nfs/dbraw/zinc/23/27/15/590232715.db2.gz SKJVQPZWNCKKLH-ZDUSSCGKSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)CCn1cccn1 ZINC000876732098 590234028 /nfs/dbraw/zinc/23/40/28/590234028.db2.gz WOSOHAHKUQWKPX-UHFFFAOYSA-N 1 0 245.326 2.029 20 10 BECDRO Cc1ccc(C[N@H+](CCCCO)C2CC2)c(O)c1 ZINC000876731962 590234512 /nfs/dbraw/zinc/23/45/12/590234512.db2.gz QCLWXPPCICAGBX-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(C[N@H+]2CCN(C)CC2(C)C)c(O)c1 ZINC000876747196 590237199 /nfs/dbraw/zinc/23/71/99/590237199.db2.gz XUOYQLOYJOYRLR-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c(O)c1 ZINC000876748795 590237425 /nfs/dbraw/zinc/23/74/25/590237425.db2.gz FRMUARPXZOWQFC-OCCSQVGLSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1ccc(C[N@H+]2CCOC[C@@H](C)C2)c(O)c1 ZINC000876752604 590238268 /nfs/dbraw/zinc/23/82/68/590238268.db2.gz UKESNVPJZJOWAP-LBPRGKRZSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(C[N@@H+]2CCOCC23CCC3)c(O)c1 ZINC000876750473 590238354 /nfs/dbraw/zinc/23/83/54/590238354.db2.gz UNDMMIYZAVQKLH-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000876802918 590243837 /nfs/dbraw/zinc/24/38/37/590243837.db2.gz BMSYNVIUQWYUAD-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[NH2+]CCc2ccccn2)c(O)c1 ZINC000876884158 590253794 /nfs/dbraw/zinc/25/37/94/590253794.db2.gz ALMMYBJYEJXKRR-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](C)Cn2cccn2)c(O)c1 ZINC000876926862 590257925 /nfs/dbraw/zinc/25/79/25/590257925.db2.gz IVSFMDZBNYMULZ-LBPRGKRZSA-N 1 0 245.326 2.075 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1C[C@H]1C ZINC000876931197 590258411 /nfs/dbraw/zinc/25/84/11/590258411.db2.gz LCDOOYXYWSMZCH-GHMZBOCLSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)CC(C)C ZINC000876987889 590265356 /nfs/dbraw/zinc/26/53/56/590265356.db2.gz MEZGCFYONNXCGU-GFCCVEGCSA-N 1 0 237.343 2.197 20 10 BECDRO c1cc(C[NH2+]CCC[C@H]2CCO2)cc2c1OCC2 ZINC000876996445 590266827 /nfs/dbraw/zinc/26/68/27/590266827.db2.gz VMKWIIUAPVTUFW-AWEZNQCLSA-N 1 0 247.338 2.280 20 10 BECDRO CO[C@H](C)CC[NH2+]Cc1c(C)cccc1O ZINC000876997121 590267026 /nfs/dbraw/zinc/26/70/26/590267026.db2.gz ODYFKCLSLLPGPB-LLVKDONJSA-N 1 0 223.316 2.215 20 10 BECDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1c(C)cccc1O ZINC000877024621 590270982 /nfs/dbraw/zinc/27/09/82/590270982.db2.gz JLWSHCVSTWUROI-QMTHXVAHSA-N 1 0 237.343 2.197 20 10 BECDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1c(C)cccc1O ZINC000877024619 590271038 /nfs/dbraw/zinc/27/10/38/590271038.db2.gz JLWSHCVSTWUROI-HZMBPMFUSA-N 1 0 237.343 2.197 20 10 BECDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(C)cc1O ZINC000877034842 590272170 /nfs/dbraw/zinc/27/21/70/590272170.db2.gz BTVJKMYCWSPAEV-CQSZACIVSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(C)cc1O ZINC000877055433 590275242 /nfs/dbraw/zinc/27/52/42/590275242.db2.gz SOFMQTNBQJNBOI-CYBMUJFWSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@H](COC)[NH2+]Cc1ccc(C)cc1O ZINC000877056675 590275541 /nfs/dbraw/zinc/27/55/41/590275541.db2.gz MNEONNUCPRBRIF-GFCCVEGCSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc(C[NH2+][C@H](CCO)C(C)C)c(O)c1 ZINC000877064136 590276567 /nfs/dbraw/zinc/27/65/67/590276567.db2.gz NOXNLDTVGOLSFX-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H](CCO)C(C)C ZINC000877062884 590276739 /nfs/dbraw/zinc/27/67/39/590276739.db2.gz DSINMOAZPHRPIT-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c(O)c1 ZINC000877070920 590277563 /nfs/dbraw/zinc/27/75/63/590277563.db2.gz YUMXOBSNQCCHHA-JSGCOSHPSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1ccc(C[NH2+]CCc2ccncc2)c(O)c1 ZINC000877089943 590281119 /nfs/dbraw/zinc/28/11/19/590281119.db2.gz NICLOIOFQHXBPK-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1cc(C[NH2+]Cc2c(C)cccc2O)ncn1 ZINC000877124239 590289447 /nfs/dbraw/zinc/28/94/47/590289447.db2.gz LNNRXWHHASSUNZ-UHFFFAOYSA-N 1 0 243.310 2.089 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCC[C@@H](C)CO ZINC000877128216 590289821 /nfs/dbraw/zinc/28/98/21/590289821.db2.gz QZWOTGLWHIGKHC-LLVKDONJSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cc(C[NH2+]Cc2c(C)cccc2O)on1 ZINC000877150279 590292901 /nfs/dbraw/zinc/29/29/01/590292901.db2.gz NVRFWRVITYCKHA-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO COCC1=CC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC000877416717 590324872 /nfs/dbraw/zinc/32/48/72/590324872.db2.gz OUZWNEVMEXWZLR-UHFFFAOYSA-N 1 0 247.338 2.479 20 10 BECDRO Cc1ccc(C[NH2+]CCOC(F)(F)F)c(O)c1 ZINC000877469788 590334889 /nfs/dbraw/zinc/33/48/89/590334889.db2.gz ZEYCIRKQJVTXLN-UHFFFAOYSA-N 1 0 249.232 2.327 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)c(O)c1 ZINC000877479692 590336606 /nfs/dbraw/zinc/33/66/06/590336606.db2.gz VWSXCWLGIZIBCR-AAEUAGOBSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(C[NH+]2CCC3(CCO3)CC2)c(O)c1 ZINC000877501088 590341351 /nfs/dbraw/zinc/34/13/51/590341351.db2.gz HMBFZGMRABRZRR-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO CO[C@@H](C)C[N@H+](C)Cc1c(C)cccc1O ZINC000877522486 590344775 /nfs/dbraw/zinc/34/47/75/590344775.db2.gz FYYGPTIOBJMLPV-NSHDSACASA-N 1 0 223.316 2.167 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000877520206 590345549 /nfs/dbraw/zinc/34/55/49/590345549.db2.gz PWYWILQXIWKAQZ-OLZOCXBDSA-N 1 0 249.354 2.463 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)c(O)c1 ZINC000877518735 590345683 /nfs/dbraw/zinc/34/56/83/590345683.db2.gz GGLNBTCBZXHSHI-CHWSQXEVSA-N 1 0 249.354 2.463 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)CCN(C)C1CC1 ZINC000877529103 590349263 /nfs/dbraw/zinc/34/92/63/590349263.db2.gz SQEGUIVPUKKQCX-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877540665 590350809 /nfs/dbraw/zinc/35/08/09/590350809.db2.gz GFYYHWHHHFTTOO-GHMZBOCLSA-N 1 0 223.316 2.214 20 10 BECDRO CC[C@@H](C[NH2+]Cc1ccc(C)cc1O)OC ZINC000877542095 590352246 /nfs/dbraw/zinc/35/22/46/590352246.db2.gz VDADFELQBROQOM-LBPRGKRZSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)CC(C)(C)CO ZINC000877560903 590359984 /nfs/dbraw/zinc/35/99/84/590359984.db2.gz CZKVDJHIZRINFC-UHFFFAOYSA-N 1 0 237.343 2.151 20 10 BECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877561390 590360240 /nfs/dbraw/zinc/36/02/40/590360240.db2.gz LWMYCIMVRNTZAJ-UONOGXRCSA-N 1 0 249.354 2.293 20 10 BECDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(C)cc1O ZINC000877573425 590363255 /nfs/dbraw/zinc/36/32/55/590363255.db2.gz PIPNRXFGNIMVHU-LBPRGKRZSA-N 1 0 237.343 2.293 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)c(O)c1 ZINC000877576047 590364044 /nfs/dbraw/zinc/36/40/44/590364044.db2.gz DJRCXBAXGTYHBU-CYBMUJFWSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1ccc(C[NH+]2CC(C(F)F)C2)c(O)c1 ZINC000877580433 590364813 /nfs/dbraw/zinc/36/48/13/590364813.db2.gz KVUYSJAQVWJXSB-UHFFFAOYSA-N 1 0 227.254 2.398 20 10 BECDRO CCOC1(C)C[NH+](Cc2c(C)cccc2O)C1 ZINC000877581523 590365760 /nfs/dbraw/zinc/36/57/60/590365760.db2.gz HQZDODCTHUDIGO-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO COCC1(C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877618057 590375995 /nfs/dbraw/zinc/37/59/95/590375995.db2.gz FGSDFFDNRXPCAD-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000877632297 590377571 /nfs/dbraw/zinc/37/75/71/590377571.db2.gz USSRELKYSAQEAA-UONOGXRCSA-N 1 0 247.338 2.094 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)CC1(C)COC1 ZINC000877652116 590384857 /nfs/dbraw/zinc/38/48/57/590384857.db2.gz BBTGYPUFWDAVJS-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000877652152 590385556 /nfs/dbraw/zinc/38/55/56/590385556.db2.gz COCFFJVEQVNRLS-CYBMUJFWSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(O)c1 ZINC000877657546 590386273 /nfs/dbraw/zinc/38/62/73/590386273.db2.gz FJQIETJQEMHAOP-DZGCQCFKSA-N 1 0 247.338 2.358 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccccc1O ZINC000877756539 590417801 /nfs/dbraw/zinc/41/78/01/590417801.db2.gz QGMIZSCKFHSQGP-SNVBAGLBSA-N 1 0 247.294 2.328 20 10 BECDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000877797343 590425325 /nfs/dbraw/zinc/42/53/25/590425325.db2.gz UFYGXRWXGHHTEO-ZDUSSCGKSA-N 1 0 249.354 2.375 20 10 BECDRO CC(C)[N@H+](CCO)Cc1cc(Cl)ccc1O ZINC000128047676 590885163 /nfs/dbraw/zinc/88/51/63/590885163.db2.gz QOSJLKDPZOQSRC-UHFFFAOYSA-N 1 0 243.734 2.248 20 10 BECDRO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(F)ccc1O ZINC000213179655 591454646 /nfs/dbraw/zinc/45/46/46/591454646.db2.gz YISQVZQTWCASMZ-SECBINFHSA-N 1 0 249.289 2.116 20 10 BECDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000131098666 591552026 /nfs/dbraw/zinc/55/20/26/591552026.db2.gz OYJKGUDQCPDEGJ-GXSJLCMTSA-N 1 0 249.310 2.399 20 10 BECDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000131098463 591552167 /nfs/dbraw/zinc/55/21/67/591552167.db2.gz OYJKGUDQCPDEGJ-MWLCHTKSSA-N 1 0 249.310 2.399 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000132665437 591727981 /nfs/dbraw/zinc/72/79/81/591727981.db2.gz RUNWUJUKDWBTSH-SNVBAGLBSA-N 1 0 221.300 2.243 20 10 BECDRO Oc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000134233444 591905163 /nfs/dbraw/zinc/90/51/63/591905163.db2.gz ZCEBIYFZUMZODQ-UHFFFAOYSA-N 1 0 229.279 2.388 20 10 BECDRO COCC(C)(C)[NH2+]Cc1cc(C)ccc1O ZINC000135061562 591980464 /nfs/dbraw/zinc/98/04/64/591980464.db2.gz FUINFMBDSVTMAV-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO Oc1ccccc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217655182 592148566 /nfs/dbraw/zinc/14/85/66/592148566.db2.gz AWHVUWOKNHGRFW-KBPBESRZSA-N 1 0 246.354 2.109 20 10 BECDRO C[C@H]([NH2+]C[C@H]1C[C@@]12CCOC2)c1ccccc1O ZINC000886310283 592205020 /nfs/dbraw/zinc/20/50/20/592205020.db2.gz IKPMUSSJLXFZMN-YWPYICTPSA-N 1 0 247.338 2.469 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@]2(C)CCCOC2)cc1 ZINC000221360869 592418041 /nfs/dbraw/zinc/41/80/41/592418041.db2.gz BAXJDRRHJFZIFG-OAHLLOKOSA-N 1 0 248.370 2.411 20 10 BECDRO C[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCCOC1 ZINC000221371547 592419761 /nfs/dbraw/zinc/41/97/61/592419761.db2.gz MPDWFZAMABTUSH-HNNXBMFYSA-N 1 0 247.338 2.280 20 10 BECDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1O ZINC000313031860 634438945 /nfs/dbraw/zinc/43/89/45/634438945.db2.gz ZCNCJANKLNEUHZ-ZWNOBZJWSA-N 1 0 235.327 2.468 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2COCC2(C)C)c1O ZINC000313024467 634439897 /nfs/dbraw/zinc/43/98/97/634439897.db2.gz PRDOXFWLIFHUPT-LBPRGKRZSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(O)c(C[N@H+](CCCCO)C2CC2)c1 ZINC000093383285 634529403 /nfs/dbraw/zinc/52/94/03/634529403.db2.gz MAMMONPDMYSJLN-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO CCOC(=O)/C=C/C[NH2+][C@H](C)c1ccccc1O ZINC000931553681 634586687 /nfs/dbraw/zinc/58/66/87/634586687.db2.gz GIVMPACJTBAQLI-OALRPVAKSA-N 1 0 249.310 2.162 20 10 BECDRO CC(C)N(C)CC[NH2+][C@H](C)c1ccccc1O ZINC000054110975 635392451 /nfs/dbraw/zinc/39/24/51/635392451.db2.gz CSKRGNNLDFIRFV-GFCCVEGCSA-N 1 0 236.359 2.383 20 10 BECDRO COC1CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000230690018 635492738 /nfs/dbraw/zinc/49/27/38/635492738.db2.gz ORYNSSQQNJOTGE-UHFFFAOYSA-N 1 0 241.718 2.313 20 10 BECDRO CCOCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000036228977 635550672 /nfs/dbraw/zinc/55/06/72/635550672.db2.gz IUHKULTZCRVCPT-JTQLQIEISA-N 1 0 239.315 2.088 20 10 BECDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000077423900 631322463 /nfs/dbraw/zinc/32/24/63/631322463.db2.gz VVCWZOVBGNMUGF-IUCAKERBSA-N 1 0 243.734 2.152 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1ccccc1O ZINC000235223441 632553193 /nfs/dbraw/zinc/55/31/93/632553193.db2.gz STVLIJJLGWFINX-IJLUTSLNSA-N 1 0 235.327 2.468 20 10 BECDRO CC[C@H](CCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310250068 632711013 /nfs/dbraw/zinc/71/10/13/632711013.db2.gz JZYIDGUVNLOZOC-NEPJUHHUSA-N 1 0 235.327 2.130 20 10 BECDRO CCCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892480071 632766013 /nfs/dbraw/zinc/76/60/13/632766013.db2.gz ZGSIAQAZKNKQFG-UHFFFAOYSA-N 1 0 239.315 2.299 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOC)cc1 ZINC000152105060 632792422 /nfs/dbraw/zinc/79/24/22/632792422.db2.gz NJDBQHQZVHXLII-GFCCVEGCSA-N 1 0 236.359 2.440 20 10 BECDRO COCCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000066371344 632896669 /nfs/dbraw/zinc/89/66/69/632896669.db2.gz JGTUDYMEWKBPBT-UHFFFAOYSA-N 1 0 237.343 2.477 20 10 BECDRO CCOCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840881977 632970959 /nfs/dbraw/zinc/97/09/59/632970959.db2.gz RARXIUKGTMNJOO-UHFFFAOYSA-N 1 0 243.734 2.480 20 10 BECDRO COCC(C)(C)[NH2+]Cc1cccc(C)c1O ZINC000162573156 633033075 /nfs/dbraw/zinc/03/30/75/633033075.db2.gz NPCWXLJKZDCWCU-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000164599993 633079922 /nfs/dbraw/zinc/07/99/22/633079922.db2.gz DFFDJEIAFWAPAS-DTWKUNHWSA-N 1 0 243.734 2.295 20 10 BECDRO C[C@@H]([NH2+]CC1(O)CCC1)c1cc(F)ccc1O ZINC000168763636 633148313 /nfs/dbraw/zinc/14/83/13/633148313.db2.gz SHYDASOZHQNVMU-SECBINFHSA-N 1 0 239.290 2.097 20 10 BECDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168795635 633151390 /nfs/dbraw/zinc/15/13/90/633151390.db2.gz YHHRWYPPCYMSFO-ONGXEEELSA-N 1 0 241.306 2.343 20 10 BECDRO COC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628533 633838481 /nfs/dbraw/zinc/83/84/81/633838481.db2.gz HXOULDXHOUYKCJ-WDEREUQCSA-N 1 0 223.316 2.386 20 10 BECDRO CCOc1ccc(C[NH2+][C@@H](C)CF)c(O)c1 ZINC000309850323 633844773 /nfs/dbraw/zinc/84/47/73/633844773.db2.gz XKHIWLITYBNJBA-VIFPVBQESA-N 1 0 227.279 2.239 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccccc1O ZINC000309511047 633940321 /nfs/dbraw/zinc/94/03/21/633940321.db2.gz XHOVETKKLXUUAS-ZJUUUORDSA-N 1 0 223.316 2.202 20 10 BECDRO CC(C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000075825527 635133322 /nfs/dbraw/zinc/13/33/22/635133322.db2.gz LOPGOMVNZRREPQ-HNNXBMFYSA-N 1 0 249.402 2.353 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1C ZINC000323504064 637005270 /nfs/dbraw/zinc/00/52/70/637005270.db2.gz DNZSDRVPTFFPLF-CHWSQXEVSA-N 1 0 235.327 2.007 20 10 BECDRO CCC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879114 637390091 /nfs/dbraw/zinc/39/00/91/637390091.db2.gz QZDJHFOEEVXSJW-VIFPVBQESA-N 1 0 237.299 2.399 20 10 BECDRO CC(C)[C@@](C)(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311112399 639662957 /nfs/dbraw/zinc/66/29/57/639662957.db2.gz WYRVNFBPIQLAHK-WFASDCNBSA-N 1 0 249.354 2.376 20 10 BECDRO CC(C)C[C@@](C)(C[NH3+])C(=O)Nc1ccc(N)cc1 ZINC000911661305 639692359 /nfs/dbraw/zinc/69/23/59/639692359.db2.gz UPMVVDILNWHGNP-AWEZNQCLSA-N 1 0 249.358 2.218 20 10 BECDRO CCOC(=O)/C=C/C[NH2+][C@@H](C)c1ccccc1O ZINC000931556979 640272333 /nfs/dbraw/zinc/27/23/33/640272333.db2.gz GIVMPACJTBAQLI-LAHYYIKRSA-N 1 0 249.310 2.162 20 10 BECDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000224255783 640607139 /nfs/dbraw/zinc/60/71/39/640607139.db2.gz NYYBIVYAXMRMFN-AWEZNQCLSA-N 1 0 249.354 2.118 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H](O)CC(C)C)c1O ZINC000224571298 640625040 /nfs/dbraw/zinc/62/50/40/640625040.db2.gz LYVCEVXKKCQPLM-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(C[NH2+][C@]2(C)CCCOC2)c1O ZINC000225932003 640717233 /nfs/dbraw/zinc/71/72/33/640717233.db2.gz QDDLUFDCOALBFO-CQSZACIVSA-N 1 0 235.327 2.359 20 10 BECDRO CC1(C)C[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000226256549 640743367 /nfs/dbraw/zinc/74/33/67/640743367.db2.gz KOTPSEAUIWECEV-SNVBAGLBSA-N 1 0 249.310 2.257 20 10 BECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCSC1 ZINC000226613113 640779845 /nfs/dbraw/zinc/77/98/45/640779845.db2.gz FGYLLPRLKKUPLE-SNVBAGLBSA-N 1 0 227.304 2.126 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1 ZINC000230154141 641031623 /nfs/dbraw/zinc/03/16/23/641031623.db2.gz NYOOXTFSIPKJHX-RISCZKNCSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C)c1 ZINC000230154145 641031979 /nfs/dbraw/zinc/03/19/79/641031979.db2.gz NYOOXTFSIPKJHX-BXUZGUMPSA-N 1 0 235.327 2.358 20 10 BECDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000230673911 641079987 /nfs/dbraw/zinc/07/99/87/641079987.db2.gz QCXAXOPFMZWMAC-UHFFFAOYSA-N 1 0 249.310 2.399 20 10 BECDRO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccc(N(C)C)cc1 ZINC000088750661 641386810 /nfs/dbraw/zinc/38/68/10/641386810.db2.gz VSLRIPQVJLHLMZ-NSHDSACASA-N 1 0 244.342 2.327 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1 ZINC000914433202 641701973 /nfs/dbraw/zinc/70/19/73/641701973.db2.gz LPRNGIKESHPBJN-UONOGXRCSA-N 1 0 247.338 2.215 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1O ZINC000914436135 641705033 /nfs/dbraw/zinc/70/50/33/641705033.db2.gz PUKCSIBHPRRPSS-UONOGXRCSA-N 1 0 247.338 2.215 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1C ZINC000190056611 641830871 /nfs/dbraw/zinc/83/08/71/641830871.db2.gz FWELMNFXNUXWTQ-TZMCWYRMSA-N 1 0 249.354 2.212 20 10 BECDRO CO[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000191199409 641905888 /nfs/dbraw/zinc/90/58/88/641905888.db2.gz RXRMMSTZWXVOOB-QMMMGPOBSA-N 1 0 229.707 2.170 20 10 BECDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179576947 642730841 /nfs/dbraw/zinc/73/08/41/642730841.db2.gz QUXXBCZVROKWKP-WCQYABFASA-N 1 0 235.327 2.128 20 10 BECDRO COc1ccc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000180445205 642800155 /nfs/dbraw/zinc/80/01/55/642800155.db2.gz CEWGXDSBXWPLMK-BETUJISGSA-N 1 0 247.338 2.489 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@](C)(O)C(C)C)c1O ZINC000182222119 642975017 /nfs/dbraw/zinc/97/50/17/642975017.db2.gz DDUQMJQEYICVHM-CQSZACIVSA-N 1 0 237.343 2.197 20 10 BECDRO COc1ccc(C[NH2+]CCSC)cc1C ZINC000070184654 642990392 /nfs/dbraw/zinc/99/03/92/642990392.db2.gz SWCSPOYPDHTWJY-UHFFFAOYSA-N 1 0 225.357 2.456 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2C)c1 ZINC000071273190 643112773 /nfs/dbraw/zinc/11/27/73/643112773.db2.gz ATDVFEREYKYICP-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)c(O)c1 ZINC000186067527 643434651 /nfs/dbraw/zinc/43/46/51/643434651.db2.gz NCQHKSFJWFAQEI-WXHSDQCUSA-N 1 0 235.327 2.265 20 10 BECDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1O ZINC000083378968 643443356 /nfs/dbraw/zinc/44/33/56/643443356.db2.gz BEBGHMZJLHEYQB-CQSZACIVSA-N 1 0 248.370 2.275 20 10 BECDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccccc1O ZINC000186280432 643673650 /nfs/dbraw/zinc/67/36/50/643673650.db2.gz VMQNPHJMSUEDAC-OBJOEFQTSA-N 1 0 235.327 2.346 20 10 BECDRO CC[C@@](C)(CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921667701 643711221 /nfs/dbraw/zinc/71/12/21/643711221.db2.gz LAUDJEKYDWBYMP-HNNXBMFYSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948443 643831669 /nfs/dbraw/zinc/83/16/69/643831669.db2.gz DAVNAWVGCGPDLZ-BXUZGUMPSA-N 1 0 247.338 2.279 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](C)O ZINC000922160823 643880147 /nfs/dbraw/zinc/88/01/47/643880147.db2.gz XQVUYGZAVCYHJA-BXUZGUMPSA-N 1 0 249.354 2.261 20 10 BECDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922192004 643897726 /nfs/dbraw/zinc/89/77/26/643897726.db2.gz ZLCSACHTMJHCQJ-OTVXOJSOSA-N 1 0 247.338 2.015 20 10 BECDRO CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000086227835 643961587 /nfs/dbraw/zinc/96/15/87/643961587.db2.gz WNHDFDSANBSLJX-AATRIKPKSA-N 1 0 204.317 2.375 20 10 BECDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000192596440 644167948 /nfs/dbraw/zinc/16/79/48/644167948.db2.gz NURKTLAVJHCPTM-LLVKDONJSA-N 1 0 247.338 2.102 20 10 BECDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(N(C)C)cc1 ZINC000087009562 644461785 /nfs/dbraw/zinc/46/17/85/644461785.db2.gz NYSUPZSWYUCTGX-NSHDSACASA-N 1 0 236.359 2.174 20 10 BECDRO COC[C@@H]([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000086698208 644468666 /nfs/dbraw/zinc/46/86/66/644468666.db2.gz ZSQOHVAPICORHD-CYBMUJFWSA-N 1 0 237.343 2.461 20 10 BECDRO CC1CCC(O)(C[NH2+]Cc2ccccc2O)CC1 ZINC000087044601 644476048 /nfs/dbraw/zinc/47/60/48/644476048.db2.gz KEIQSZWFNFWJKT-UHFFFAOYSA-N 1 0 249.354 2.423 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1O ZINC000087784627 644503021 /nfs/dbraw/zinc/50/30/21/644503021.db2.gz VUXJNRZMXWZVNM-PWSUYJOCSA-N 1 0 221.300 2.222 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC2)c1 ZINC000087784459 644503139 /nfs/dbraw/zinc/50/31/39/644503139.db2.gz XPPQZHLATQOMFV-QWRGUYRKSA-N 1 0 221.300 2.140 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC2)c1 ZINC000087784453 644503156 /nfs/dbraw/zinc/50/31/56/644503156.db2.gz XPPQZHLATQOMFV-GHMZBOCLSA-N 1 0 221.300 2.140 20 10 BECDRO C[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756448384 644628046 /nfs/dbraw/zinc/62/80/46/644628046.db2.gz BWEMGJSXVXUYCO-QXFUBDJGSA-N 1 0 239.290 2.050 20 10 BECDRO CC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000091980096 644644662 /nfs/dbraw/zinc/64/46/62/644644662.db2.gz BKKZVNQBPIXSFA-AWEZNQCLSA-N 1 0 248.370 2.363 20 10 BECDRO CCOCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000092885545 644670897 /nfs/dbraw/zinc/67/08/97/644670897.db2.gz KUJDFHIJAAKYNK-UHFFFAOYSA-N 1 0 237.343 2.477 20 10 BECDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000248385033 644677561 /nfs/dbraw/zinc/67/75/61/644677561.db2.gz GYCQFIWHSZBRRN-WDMOLILDSA-N 1 0 237.343 2.450 20 10 BECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](F)C1 ZINC000840104598 644866925 /nfs/dbraw/zinc/86/69/25/644866925.db2.gz UTWYYUWNAOFEAZ-NSHDSACASA-N 1 0 246.285 2.484 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccccc1O ZINC000252745068 644896837 /nfs/dbraw/zinc/89/68/37/644896837.db2.gz AFUCLBNMYZUPNF-GARJFASQSA-N 1 0 223.316 2.202 20 10 BECDRO C[C@@H](CO)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000846057033 645396835 /nfs/dbraw/zinc/39/68/35/645396835.db2.gz CSLUBLHMKVVPCH-LBPRGKRZSA-N 1 0 249.354 2.233 20 10 BECDRO CC[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccccc1O ZINC000927148379 645572927 /nfs/dbraw/zinc/57/29/27/645572927.db2.gz RDNQDNQMYNGAHF-NQBHXWOUSA-N 1 0 235.327 2.204 20 10 BECDRO COC(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000382398692 711601399 /nfs/dbraw/zinc/60/13/99/711601399.db2.gz KACSXYYTPIHNEO-NSHDSACASA-N 1 0 235.327 2.394 20 10 BECDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1ccccc1O ZINC000395878617 711698595 /nfs/dbraw/zinc/69/85/95/711698595.db2.gz NDKUBKZXTGGRRQ-LLVKDONJSA-N 1 0 235.327 2.205 20 10 BECDRO CC(C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708558856 712212930 /nfs/dbraw/zinc/21/29/30/712212930.db2.gz LSWNUAPEGHUPNA-UHFFFAOYSA-N 1 0 201.216 2.168 20 10 BECDRO COc1cccc(C[NH2+]CC[C@@H](C)F)c1O ZINC000378662025 712356514 /nfs/dbraw/zinc/35/65/14/712356514.db2.gz CECICSVCCXUNSJ-SECBINFHSA-N 1 0 227.279 2.239 20 10 BECDRO COCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037232390 712554692 /nfs/dbraw/zinc/55/46/92/712554692.db2.gz ADDCEQSAQBQUKU-LBPRGKRZSA-N 1 0 236.359 2.440 20 10 BECDRO Cc1cccc(C[N@H+](C)CCCF)c1O ZINC000716625234 712568262 /nfs/dbraw/zinc/56/82/62/712568262.db2.gz BHJCTFWMUKKXIR-UHFFFAOYSA-N 1 0 211.280 2.492 20 10 BECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(F)ccc1O ZINC000716853643 712578486 /nfs/dbraw/zinc/57/84/86/712578486.db2.gz QDXXRDNPBKIGEY-BXKDBHETSA-N 1 0 241.306 2.170 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CC23CC(O)C3)cc1C ZINC000724932565 710750180 /nfs/dbraw/zinc/75/01/80/710750180.db2.gz XGOCSSFWRNZCHB-HNFVBEJKSA-N 1 0 247.338 2.007 20 10 BECDRO CC[C@@]1([NH2+]Cc2cc(C)ccc2O)CCOC1 ZINC000383150856 710977844 /nfs/dbraw/zinc/97/78/44/710977844.db2.gz BCYROZADEDFANY-CQSZACIVSA-N 1 0 235.327 2.359 20 10 BECDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Cl)[C@@H](C)O ZINC000386748882 711036033 /nfs/dbraw/zinc/03/60/33/711036033.db2.gz GAMFWUPUPPDPJU-LDYMZIIASA-N 1 0 243.734 2.295 20 10 BECDRO CCCN1CC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000389435594 711078951 /nfs/dbraw/zinc/07/89/51/711078951.db2.gz ZVRKWOPYRQVTNU-CQSZACIVSA-N 1 0 248.370 2.275 20 10 BECDRO CC[C@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000393493987 711160074 /nfs/dbraw/zinc/16/00/74/711160074.db2.gz VABDHUHJDGVNOP-ZDUSSCGKSA-N 1 0 239.290 2.190 20 10 BECDRO CCOC[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000393827194 711177465 /nfs/dbraw/zinc/17/74/65/711177465.db2.gz FKRSLIQVTPRHQR-CMPLNLGQSA-N 1 0 235.327 2.394 20 10 BECDRO CC(C)[C@H](CO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000394065820 711183134 /nfs/dbraw/zinc/18/31/34/711183134.db2.gz ZRSMTJSYXMJBBB-QWHCGFSZSA-N 1 0 249.354 2.234 20 10 BECDRO CC(C)[C@H](CO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000394065822 711183711 /nfs/dbraw/zinc/18/37/11/711183711.db2.gz ZRSMTJSYXMJBBB-STQMWFEESA-N 1 0 249.354 2.234 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CC2)c(O)c1 ZINC000397976560 711398026 /nfs/dbraw/zinc/39/80/26/711398026.db2.gz PDQYITPNBWVTDM-LBPRGKRZSA-N 1 0 248.370 2.445 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CC[C@H](C)O2)c1O ZINC000398020197 711399180 /nfs/dbraw/zinc/39/91/80/711399180.db2.gz CQBIMQCUNRHWRV-WCQYABFASA-N 1 0 235.327 2.358 20 10 BECDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccccc1O ZINC000397990048 711399920 /nfs/dbraw/zinc/39/99/20/711399920.db2.gz NYFLXATZZMGLQL-LLVKDONJSA-N 1 0 234.343 2.137 20 10 BECDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)O1 ZINC000398101174 711400471 /nfs/dbraw/zinc/40/04/71/711400471.db2.gz XFQYKMHOKYEXDP-SKDRFNHKSA-N 1 0 239.290 2.188 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1 ZINC000398049755 711400866 /nfs/dbraw/zinc/40/08/66/711400866.db2.gz VPHTZOIDUGGBTG-YPMHNXCESA-N 1 0 235.327 2.358 20 10 BECDRO C[C@@H]([NH2+]CCOC(F)F)c1ccccc1O ZINC000398163748 711402889 /nfs/dbraw/zinc/40/28/89/711402889.db2.gz CZRQOKFKFBBHDZ-MRVPVSSYSA-N 1 0 231.242 2.282 20 10 BECDRO OCCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000381023235 710596427 /nfs/dbraw/zinc/59/64/27/710596427.db2.gz PUADAALJXSUKBB-GFCCVEGCSA-N 1 0 247.338 2.132 20 10 BECDRO COc1ccc(C[NH2+][C@@H](C)C(C)(C)O)cc1C ZINC000393972357 710834308 /nfs/dbraw/zinc/83/43/08/710834308.db2.gz KBPOTJPRVNPURE-NSHDSACASA-N 1 0 237.343 2.253 20 10 BECDRO C[C@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000386582336 711032820 /nfs/dbraw/zinc/03/28/20/711032820.db2.gz AHOYXCYSYXKCLS-WFASDCNBSA-N 1 0 247.338 2.130 20 10 BECDRO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000392453173 711148527 /nfs/dbraw/zinc/14/85/27/711148527.db2.gz HROGNEVVVRFLKR-BDAKNGLRSA-N 1 0 246.314 2.231 20 10 BECDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccccc1O ZINC000397132573 711377629 /nfs/dbraw/zinc/37/76/29/711377629.db2.gz WXLKLJRNMKUQHK-SMDDNHRTSA-N 1 0 235.327 2.469 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397734183 711390367 /nfs/dbraw/zinc/39/03/67/711390367.db2.gz RPQKCMGCFKSONR-ZSBIGDGJSA-N 1 0 203.285 2.280 20 10 BECDRO Cc1csc(C[NH2+]CCc2ccc(N)cc2)n1 ZINC000049539145 711448767 /nfs/dbraw/zinc/44/87/67/711448767.db2.gz MLNDGRIVILHXEX-UHFFFAOYSA-N 1 0 247.367 2.366 20 10 BECDRO Oc1ccccc1C[NH2+]CCc1cccnc1 ZINC000037717685 711480985 /nfs/dbraw/zinc/48/09/85/711480985.db2.gz RZUZZPFVRSEEQG-UHFFFAOYSA-N 1 0 228.295 2.120 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H](CO)C(C)C)c1O ZINC000394022386 711681613 /nfs/dbraw/zinc/68/16/13/711681613.db2.gz CYGZDSROCJSHOD-CYBMUJFWSA-N 1 0 237.343 2.055 20 10 BECDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000136255314 711693180 /nfs/dbraw/zinc/69/31/80/711693180.db2.gz AUYUJLOGBJGYBB-DGCLKSJQSA-N 1 0 218.344 2.498 20 10 BECDRO COc1ccc(C[NH2+]CC2=CCOCC2)cc1C ZINC000397724129 711707196 /nfs/dbraw/zinc/70/71/96/711707196.db2.gz XZHOREBRDYWFSF-UHFFFAOYSA-N 1 0 247.338 2.440 20 10 BECDRO CCOc1ccc(O)c(C[NH2+]CCSC)c1 ZINC000163753879 711770385 /nfs/dbraw/zinc/77/03/85/711770385.db2.gz UFUHCPQLENUJHV-UHFFFAOYSA-N 1 0 241.356 2.244 20 10 BECDRO C[C@H]([NH2+]CCOCCF)c1cc(F)ccc1O ZINC000702653828 712058709 /nfs/dbraw/zinc/05/87/09/712058709.db2.gz IWIMAPINLFNWFZ-VIFPVBQESA-N 1 0 245.269 2.168 20 10 BECDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(N)cc1 ZINC000706291396 712144040 /nfs/dbraw/zinc/14/40/40/712144040.db2.gz UZTHFLRSXYSUDT-GHMZBOCLSA-N 1 0 247.342 2.080 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)c1O ZINC000708697524 712197304 /nfs/dbraw/zinc/19/73/04/712197304.db2.gz MUHQKIHBBYIQLC-VDISTLRHSA-N 1 0 249.354 2.469 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000708711644 712197690 /nfs/dbraw/zinc/19/76/90/712197690.db2.gz QHWCMJQBCKUIQG-UHTWSYAYSA-N 1 0 247.338 2.394 20 10 BECDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000709019189 712206180 /nfs/dbraw/zinc/20/61/80/712206180.db2.gz GXJYEBXZNFJUKE-CQSZACIVSA-N 1 0 235.327 2.249 20 10 BECDRO CCc1cccc(C[NH2+]C[C@@H]2CCCOC2)c1O ZINC000709405530 712220854 /nfs/dbraw/zinc/22/08/54/712220854.db2.gz FNNAQIJNIMUBBS-LBPRGKRZSA-N 1 0 249.354 2.471 20 10 BECDRO CCc1cccc(C[NH2+]CCC(C)(C)O)c1O ZINC000709420371 712221205 /nfs/dbraw/zinc/22/12/05/712221205.db2.gz ZPZDDTRNXQOVRP-UHFFFAOYSA-N 1 0 237.343 2.205 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2CCCOC2)c1O ZINC000709436877 712222054 /nfs/dbraw/zinc/22/20/54/712222054.db2.gz VHTHVCABIAEVDW-ZDUSSCGKSA-N 1 0 235.327 2.223 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCc2ccns2)c1 ZINC000709869605 712230473 /nfs/dbraw/zinc/23/04/73/712230473.db2.gz MARZLCZBUFLDSO-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2C)c1 ZINC000712586378 712434918 /nfs/dbraw/zinc/43/49/18/712434918.db2.gz LSRLMTYPMSBVQD-NEPJUHHUSA-N 1 0 234.343 2.055 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C)c(O)c1 ZINC000712588799 712435439 /nfs/dbraw/zinc/43/54/39/712435439.db2.gz YLFXSQYQXWUZEQ-NEPJUHHUSA-N 1 0 234.343 2.055 20 10 BECDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000712528454 712441069 /nfs/dbraw/zinc/44/10/69/712441069.db2.gz JEXIKLYRJIHKGI-STQMWFEESA-N 1 0 248.370 2.445 20 10 BECDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000712528453 712441081 /nfs/dbraw/zinc/44/10/81/712441081.db2.gz JEXIKLYRJIHKGI-QWHCGFSZSA-N 1 0 248.370 2.445 20 10 BECDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000712528450 712441216 /nfs/dbraw/zinc/44/12/16/712441216.db2.gz JEXIKLYRJIHKGI-CHWSQXEVSA-N 1 0 248.370 2.445 20 10 BECDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(N(C)C)cc1 ZINC000712529089 712441575 /nfs/dbraw/zinc/44/15/75/712441575.db2.gz MKGKUFBDPKKBAE-SWLSCSKDSA-N 1 0 247.386 2.107 20 10 BECDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000712532653 712442154 /nfs/dbraw/zinc/44/21/54/712442154.db2.gz XWGQUFCUBRVZKL-CQSZACIVSA-N 1 0 248.370 2.187 20 10 BECDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000712561568 712446042 /nfs/dbraw/zinc/44/60/42/712446042.db2.gz CZBVVZGBDGADGH-RYUDHWBXSA-N 1 0 234.343 2.137 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000714707010 712496551 /nfs/dbraw/zinc/49/65/51/712496551.db2.gz QHWCMJQBCKUIQG-RAIGVLPGSA-N 1 0 247.338 2.394 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000714731327 712496735 /nfs/dbraw/zinc/49/67/35/712496735.db2.gz YDUHMMGKLADTIL-IJLUTSLNSA-N 1 0 235.327 2.468 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000714731329 712496867 /nfs/dbraw/zinc/49/68/67/712496867.db2.gz YDUHMMGKLADTIL-SRVKXCTJSA-N 1 0 235.327 2.468 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000715476030 712520711 /nfs/dbraw/zinc/52/07/11/712520711.db2.gz ZTAWBPIGAPZWFW-UKRRQHHQSA-N 1 0 247.338 2.439 20 10 BECDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037196163 712552678 /nfs/dbraw/zinc/55/26/78/712552678.db2.gz LDTFCRLLDNXTPU-NWDGAFQWSA-N 1 0 236.359 2.438 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C2CCC2)cc1C ZINC000825239686 712592220 /nfs/dbraw/zinc/59/22/20/712592220.db2.gz BYFFIZUOYYDUHW-HNNXBMFYSA-N 1 0 249.354 2.260 20 10 BECDRO Oc1ccccc1C[NH2+]CCC1CCOCC1 ZINC000379891828 712621007 /nfs/dbraw/zinc/62/10/07/712621007.db2.gz AZEPCBNWCNLXJL-UHFFFAOYSA-N 1 0 235.327 2.299 20 10 BECDRO OC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCC1 ZINC000717617516 712662681 /nfs/dbraw/zinc/66/26/81/712662681.db2.gz ZSVPGEGCCYPXSB-QWHCGFSZSA-N 1 0 247.338 2.130 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000384933181 712705447 /nfs/dbraw/zinc/70/54/47/712705447.db2.gz SRZRKOXLQCHDJZ-GMXVVIOVSA-N 1 0 235.327 2.356 20 10 BECDRO C/C=C\C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000384931614 712705478 /nfs/dbraw/zinc/70/54/78/712705478.db2.gz SNWFKXYCPNXMPQ-PLNGDYQASA-N 1 0 204.317 2.418 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2C)c(O)c1 ZINC000719558688 712809272 /nfs/dbraw/zinc/80/92/72/712809272.db2.gz LXZAOCOSKDSEOT-SCRDCRAPSA-N 1 0 248.370 2.444 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720865121 712871146 /nfs/dbraw/zinc/87/11/46/712871146.db2.gz NALIZMQJYBCNRP-WHOFXGATSA-N 1 0 247.338 2.439 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720865124 712871416 /nfs/dbraw/zinc/87/14/16/712871416.db2.gz NALIZMQJYBCNRP-ZLDLUXBVSA-N 1 0 247.338 2.439 20 10 BECDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1O ZINC000720995357 712886391 /nfs/dbraw/zinc/88/63/91/712886391.db2.gz QYHAXELNEHLPAN-NTZNESFSSA-N 1 0 235.327 2.204 20 10 BECDRO CO[C@H](C)C1C[NH+](Cc2ccc(C)cc2O)C1 ZINC001140954789 960759672 /nfs/dbraw/zinc/75/96/72/960759672.db2.gz ZESIDAIQHBRHKD-LLVKDONJSA-N 1 0 235.327 2.167 20 10 BECDRO CC[NH2+]CCN(CC)Cc1ccc(N(C)C)cc1 ZINC000038954657 1165897142 /nfs/dbraw/zinc/89/71/42/1165897142.db2.gz WDSMENDRUJEERE-UHFFFAOYSA-N 1 0 249.402 2.184 20 10 BECDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[C@H](C)O ZINC000077430004 1166053261 /nfs/dbraw/zinc/05/32/61/1166053261.db2.gz INLWSIHJEKHMTO-NEPJUHHUSA-N 1 0 249.354 2.118 20 10 BECDRO Oc1ccccc1C[NH2+]C/C=C/C1CC1 ZINC000382316423 1167098990 /nfs/dbraw/zinc/09/89/90/1167098990.db2.gz RQFXAXVQIVYWJD-ONEGZZNKSA-N 1 0 203.285 2.448 20 10 BECDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(N(C)C)cc1 ZINC001227939547 975800795 /nfs/dbraw/zinc/80/07/95/975800795.db2.gz YUYRRZHMJBMGTR-LBPRGKRZSA-N 1 0 237.367 2.226 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H](C)CO ZINC000168738278 1168336030 /nfs/dbraw/zinc/33/60/30/1168336030.db2.gz KYWWAQHUOOCLDJ-AXFHLTTASA-N 1 0 235.327 2.219 20 10 BECDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710999649 1168400053 /nfs/dbraw/zinc/40/00/53/1168400053.db2.gz NBXWWLFTMUFHLR-JSGCOSHPSA-N 1 0 247.338 2.136 20 10 BECDRO Cc1cc(F)cc(C[NH+]2CCSCC2)c1O ZINC001238059103 980132674 /nfs/dbraw/zinc/13/26/74/980132674.db2.gz AGLQAJISRSADTL-UHFFFAOYSA-N 1 0 241.331 2.389 20 10 BECDRO [NH3+][C@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC000050227680 1169123868 /nfs/dbraw/zinc/12/38/68/1169123868.db2.gz GHELCUVOYIKVPG-LBPRGKRZSA-N 1 0 242.322 2.078 20 10 BECDRO CCC[C@@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001252789015 983885859 /nfs/dbraw/zinc/88/58/59/983885859.db2.gz MHYKCTRCTNMHQT-CYBMUJFWSA-N 1 0 237.343 2.375 20 10 BECDRO COCC[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000383832780 1169249078 /nfs/dbraw/zinc/24/90/78/1169249078.db2.gz JDOWTWAVYNOUEW-CMPLNLGQSA-N 1 0 235.327 2.394 20 10 BECDRO CN1CCCc2cc(C[NH+](C)C)ccc21 ZINC001138354284 1169354703 /nfs/dbraw/zinc/35/47/03/1169354703.db2.gz CVBJLRHOKICWSL-UHFFFAOYSA-N 1 0 204.317 2.131 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c1 ZINC000305740647 970785762 /nfs/dbraw/zinc/78/57/62/970785762.db2.gz CYOORYOUXQCRMA-OLZOCXBDSA-N 1 0 249.354 2.293 20 10 BECDRO CCC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001257307517 971196749 /nfs/dbraw/zinc/19/67/49/971196749.db2.gz OSSZSSMLQWGTQS-SECBINFHSA-N 1 0 239.315 2.124 20 10 BECDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000405604882 971281845 /nfs/dbraw/zinc/28/18/45/971281845.db2.gz OFLFREYMMPDMTE-SLEUVZQESA-N 1 0 248.370 2.266 20 10 BECDRO C[C@@H]1OC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000405604889 971283822 /nfs/dbraw/zinc/28/38/22/971283822.db2.gz OFLFREYMMPDMTE-XUJVJEKNSA-N 1 0 248.370 2.266 20 10 BECDRO C[C@H]1CC[NH2+]CC[C@H]1OCc1ccc(N)cc1 ZINC001217781906 971402305 /nfs/dbraw/zinc/40/23/05/971402305.db2.gz NWGIAIWKUIDJHW-SMDDNHRTSA-N 1 0 234.343 2.174 20 10 BECDRO CCN1CCc2cc(O[C@H]3C[C@H]([NH2+]C)C3)ccc21 ZINC001217954474 971540376 /nfs/dbraw/zinc/54/03/76/971540376.db2.gz GGGLLDRSZCJVQB-MQMHXKEQSA-N 1 0 246.354 2.198 20 10 BECDRO CCN1CCc2cc(O[C@@H]3CCC[NH2+]C3)ccc21 ZINC001217964684 971546990 /nfs/dbraw/zinc/54/69/90/971546990.db2.gz BQQJKVJCEICWBM-CQSZACIVSA-N 1 0 246.354 2.200 20 10 BECDRO Oc1cccc2c1C[N@@H+]([C@H]1CCCOCC1)CC2 ZINC001170831132 971949315 /nfs/dbraw/zinc/94/93/15/971949315.db2.gz MQMQYTBHWACYQD-ZDUSSCGKSA-N 1 0 247.338 2.319 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(F)ccc1O ZINC000402134047 957057568 /nfs/dbraw/zinc/05/75/68/957057568.db2.gz IBSXDOKOMGCSLT-KKZNHRDASA-N 1 0 239.290 2.359 20 10 BECDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(F)ccc1O ZINC000402134049 957058798 /nfs/dbraw/zinc/05/87/98/957058798.db2.gz IBSXDOKOMGCSLT-WCABBAIRSA-N 1 0 239.290 2.359 20 10 BECDRO Cc1cc(C)c(CN2[C@H](C)C[NH2+]C[C@@H]2C)c(O)c1 ZINC001209874027 957550016 /nfs/dbraw/zinc/55/00/16/957550016.db2.gz JYNSNHZUBWDBSG-BETUJISGSA-N 1 0 248.370 2.191 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cncn2C)c1 ZINC000289747205 958147453 /nfs/dbraw/zinc/14/74/53/958147453.db2.gz KWZINIBWQYNJTD-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](F)C2)c1O ZINC001140746254 959793307 /nfs/dbraw/zinc/79/33/07/959793307.db2.gz XFOOSTBFRKUMHJ-LLVKDONJSA-N 1 0 239.290 2.340 20 10 BECDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(N)cc1 ZINC001217988591 959817674 /nfs/dbraw/zinc/81/76/74/959817674.db2.gz QNEQUMFKLZQOEW-ZWNOBZJWSA-N 1 0 220.316 2.036 20 10 BECDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c(O)c1 ZINC001140948098 960124085 /nfs/dbraw/zinc/12/40/85/960124085.db2.gz SPSAMHXSCNGCAZ-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO c1cc(C[NH2+][C@H]2CCCOCC2)cc2c1OCC2 ZINC000310981073 960213757 /nfs/dbraw/zinc/21/37/57/960213757.db2.gz RAQWJHZBUCOFGC-AWEZNQCLSA-N 1 0 247.338 2.280 20 10 BECDRO Cc1c(O)ccc(C[NH+]2CCC(F)CC2)c1O ZINC001140741957 960546161 /nfs/dbraw/zinc/54/61/61/960546161.db2.gz FDXLCPQLPDFBDQ-UHFFFAOYSA-N 1 0 239.290 2.340 20 10 BECDRO Cc1c(O)ccc(C[N@H+]2CCC[C@@H]2C)c1O ZINC001140742196 960546582 /nfs/dbraw/zinc/54/65/82/960546582.db2.gz JUHAXOPTADDUEG-VIFPVBQESA-N 1 0 221.300 2.391 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c(O)c1 ZINC001140947813 960745831 /nfs/dbraw/zinc/74/58/31/960745831.db2.gz GQOZJUXHOHGXPJ-TZMCWYRMSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1ccc(C[N@@H+]2CCCCC23COC3)c(O)c1 ZINC001140949645 960749051 /nfs/dbraw/zinc/74/90/51/960749051.db2.gz GURGXAJQGDNCPR-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1ccc(C[N@H+](C)Cc2cncnc2)c(O)c1 ZINC001140954729 960753676 /nfs/dbraw/zinc/75/36/76/960753676.db2.gz XIHQDUPUAOAGLL-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(O)c1 ZINC001140952494 960764069 /nfs/dbraw/zinc/76/40/69/960764069.db2.gz UNYZSTKCODQBKU-BETUJISGSA-N 1 0 245.322 2.397 20 10 BECDRO CN1CCOc2cc(C[N@H+](C)C3CC3)ccc21 ZINC001141140871 960885418 /nfs/dbraw/zinc/88/54/18/960885418.db2.gz QBBXVIAZTYEBLH-UHFFFAOYSA-N 1 0 232.327 2.109 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140894 960888414 /nfs/dbraw/zinc/88/84/14/960888414.db2.gz REECWXHLSZIUPT-GFCCVEGCSA-N 1 0 246.354 2.357 20 10 BECDRO C[C@]1(F)CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156617 960891632 /nfs/dbraw/zinc/89/16/32/960891632.db2.gz OSGYWHRLDXGHDE-ZDUSSCGKSA-N 1 0 239.290 2.422 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H](F)CC2)c1 ZINC001141155978 960892467 /nfs/dbraw/zinc/89/24/67/960892467.db2.gz CTBPMAUGPWUSBT-LLVKDONJSA-N 1 0 239.290 2.422 20 10 BECDRO CC1(C)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141158755 960894727 /nfs/dbraw/zinc/89/47/27/960894727.db2.gz MHKCEALGSPZLKM-UHFFFAOYSA-N 1 0 221.300 2.330 20 10 BECDRO Oc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc1O ZINC001167903317 961700501 /nfs/dbraw/zinc/70/05/01/961700501.db2.gz UVTMNHPECUCUPJ-GDNZZTSVSA-N 1 0 233.311 2.028 20 10 BECDRO Nc1ccc(Nc2ccc3c(c2)C[C@H]([NH3+])C3)cc1 ZINC001159827344 964208413 /nfs/dbraw/zinc/20/84/13/964208413.db2.gz MTNGVYBOTSFCMO-CYBMUJFWSA-N 1 0 239.322 2.438 20 10 BECDRO COc1ccc(C[NH2+]CC2CSC2)cc1C ZINC000697942415 964751405 /nfs/dbraw/zinc/75/14/05/964751405.db2.gz SWBSWGJIKCZSGW-UHFFFAOYSA-N 1 0 237.368 2.456 20 10 BECDRO CNc1ccccc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162404506 964961545 /nfs/dbraw/zinc/96/15/45/964961545.db2.gz NOKREHOMNQYJCY-WDEREUQCSA-N 1 0 219.332 2.410 20 10 BECDRO Cc1ccc(C[NH2+]Cc2ccccc2O)cn1 ZINC000060942085 965308234 /nfs/dbraw/zinc/30/82/34/965308234.db2.gz WQLAEOSXUBFRGW-UHFFFAOYSA-N 1 0 228.295 2.385 20 10 BECDRO CCN1CCc2cc(O[C@H]3CC[N@H+](C)C3)ccc21 ZINC001233607473 965537742 /nfs/dbraw/zinc/53/77/42/965537742.db2.gz LFYQMPGAQTZQNX-AWEZNQCLSA-N 1 0 246.354 2.152 20 10 BECDRO CCN1CCc2cc(O[C@@H]3CC[N@H+](C)C3)ccc21 ZINC001233607477 965538607 /nfs/dbraw/zinc/53/86/07/965538607.db2.gz LFYQMPGAQTZQNX-CQSZACIVSA-N 1 0 246.354 2.152 20 10 BECDRO Cc1cc(N2CC[C@H]([NH3+])C2)ccc1OC(C)C ZINC001164286043 965828367 /nfs/dbraw/zinc/82/83/67/965828367.db2.gz DDGURPRHXWLSPO-LBPRGKRZSA-N 1 0 234.343 2.320 20 10 BECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000699753268 966069556 /nfs/dbraw/zinc/06/95/56/966069556.db2.gz FPVIOOZGVRCVKY-KCJUWKMLSA-N 1 0 241.718 2.170 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000691463391 966158462 /nfs/dbraw/zinc/15/84/62/966158462.db2.gz FYDCMMKVTYSZCI-JTQLQIEISA-N 1 0 237.343 2.204 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2COC[C@H]2C)c1O ZINC000699901423 966172904 /nfs/dbraw/zinc/17/29/04/966172904.db2.gz IJSZOLUMJLMLOD-MFKMUULPSA-N 1 0 235.327 2.079 20 10 BECDRO CCCC[C@@H]1CN(Cc2ccc(N)cc2)CC[NH2+]1 ZINC001236139678 966275046 /nfs/dbraw/zinc/27/50/46/966275046.db2.gz ABGDNKISDNORER-OAHLLOKOSA-N 1 0 247.386 2.233 20 10 BECDRO Cc1cncc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC001203175206 966549421 /nfs/dbraw/zinc/54/94/21/966549421.db2.gz KTCNNLXXDQRPBN-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CC[C@]1(C)O ZINC001203550362 966683782 /nfs/dbraw/zinc/68/37/82/966683782.db2.gz TWQILBFSKIMRGC-DOMZBBRYSA-N 1 0 249.354 2.375 20 10 BECDRO COc1cccc(C[N@@H+]2CCC[C@@H]2CF)c1O ZINC001203601583 966701336 /nfs/dbraw/zinc/70/13/36/966701336.db2.gz BJFFXPFQXXVLEM-LLVKDONJSA-N 1 0 239.290 2.335 20 10 BECDRO COc1ccc(C[NH+]2CC3CC(C3)C2)c(O)c1 ZINC001203634802 966715094 /nfs/dbraw/zinc/71/50/94/966715094.db2.gz WEXJNUGXRCJRLK-UHFFFAOYSA-N 1 0 233.311 2.243 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCCC(=O)CC2)cc1 ZINC001203930605 966820584 /nfs/dbraw/zinc/82/05/84/966820584.db2.gz AQTWKZBLXPMSBC-UHFFFAOYSA-N 1 0 246.354 2.308 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1 ZINC001203937434 966825194 /nfs/dbraw/zinc/82/51/94/966825194.db2.gz QONJTCWBJRFLAZ-OAHLLOKOSA-N 1 0 246.354 2.117 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCC[C@@]1(C)O ZINC001203549868 966926260 /nfs/dbraw/zinc/92/62/60/966926260.db2.gz ADTWSAWTAUSBCS-SWLSCSKDSA-N 1 0 249.354 2.375 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCC[C@]1(C)O ZINC001203549866 966926668 /nfs/dbraw/zinc/92/66/68/966926668.db2.gz ADTWSAWTAUSBCS-DOMZBBRYSA-N 1 0 249.354 2.375 20 10 BECDRO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(O)c1 ZINC001204274684 966955889 /nfs/dbraw/zinc/95/58/89/966955889.db2.gz FWZLVXVMQVRDSP-JBLDHEPKSA-N 1 0 237.274 2.030 20 10 BECDRO Oc1ccc(C[NH+]2CCC(CF)CC2)c(O)c1 ZINC001204278264 966956910 /nfs/dbraw/zinc/95/69/10/966956910.db2.gz CGHCIKRLCKGWTN-UHFFFAOYSA-N 1 0 239.290 2.279 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)C2(CC2)C1 ZINC001204279625 966960163 /nfs/dbraw/zinc/96/01/63/966960163.db2.gz CWCWMOZVWAKBDY-JTQLQIEISA-N 1 0 233.311 2.472 20 10 BECDRO COc1cc(C[N@@H+]2CCC[C@H]2C)cc(O)c1O ZINC001204340293 966973205 /nfs/dbraw/zinc/97/32/05/966973205.db2.gz KTMBLSIUEPKKTA-SECBINFHSA-N 1 0 237.299 2.091 20 10 BECDRO CC[C@@H](C)[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204346141 966975359 /nfs/dbraw/zinc/97/53/59/966975359.db2.gz FHDPPYIZYAMPRD-SECBINFHSA-N 1 0 239.315 2.337 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC001204515393 967019009 /nfs/dbraw/zinc/01/90/09/967019009.db2.gz LCUJAHWHSHOVDH-AWEZNQCLSA-N 1 0 249.354 2.472 20 10 BECDRO CC[N@H+](Cc1[nH]cnc1C)Cc1ccccc1O ZINC001204590138 967081220 /nfs/dbraw/zinc/08/12/20/967081220.db2.gz CQQFLYHTTRFKCA-UHFFFAOYSA-N 1 0 245.326 2.446 20 10 BECDRO CC(C)(C)c1ccc(O)c(CN2CC(C)([NH3+])C2)c1 ZINC001204985467 967276359 /nfs/dbraw/zinc/27/63/59/967276359.db2.gz JXVTXJIOFQLWPO-UHFFFAOYSA-N 1 0 248.370 2.223 20 10 BECDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CC[C@H]1C[NH3+] ZINC001205601925 967718160 /nfs/dbraw/zinc/71/81/60/967718160.db2.gz GSMDJDCNXISPPM-STQMWFEESA-N 1 0 248.370 2.199 20 10 BECDRO CC1(C)CCc2cc(N3CC[C@H]([NH3+])C3)ccc2O1 ZINC001164286594 968217872 /nfs/dbraw/zinc/21/78/72/968217872.db2.gz SSTVSACSTLDZJI-LBPRGKRZSA-N 1 0 246.354 2.328 20 10 BECDRO Cc1ccc(C)n1-c1ccc(NOCC[NH3+])cc1 ZINC001164428745 968233648 /nfs/dbraw/zinc/23/36/48/968233648.db2.gz HEBBYRJOBXHPFU-UHFFFAOYSA-N 1 0 245.326 2.396 20 10 BECDRO CC(C)c1ccc(CN2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206737803 968451819 /nfs/dbraw/zinc/45/18/19/968451819.db2.gz RQVWQJWMXVDXCJ-UHFFFAOYSA-N 1 0 248.370 2.296 20 10 BECDRO CCCC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC001252093749 968572710 /nfs/dbraw/zinc/57/27/10/968572710.db2.gz JPLKZVOJVDXKJY-CYBMUJFWSA-N 1 0 237.343 2.375 20 10 BECDRO CCCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001252109839 968591087 /nfs/dbraw/zinc/59/10/87/968591087.db2.gz CIIKWRUSEMGWBJ-CQSZACIVSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001207630446 968848203 /nfs/dbraw/zinc/84/82/03/968848203.db2.gz CCQSBMCUZQYMCF-GZMMTYOYSA-N 1 0 241.718 2.170 20 10 BECDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001207630449 968849221 /nfs/dbraw/zinc/84/92/21/968849221.db2.gz CCQSBMCUZQYMCF-LDYMZIIASA-N 1 0 241.718 2.170 20 10 BECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001207630447 968850023 /nfs/dbraw/zinc/85/00/23/968850023.db2.gz CCQSBMCUZQYMCF-KCJUWKMLSA-N 1 0 241.718 2.170 20 10 BECDRO COCCCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001209219839 969409518 /nfs/dbraw/zinc/40/95/18/969409518.db2.gz NVIBWRCVNBRHPT-UHFFFAOYSA-N 1 0 235.327 2.177 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H]2CCCO2)c1O ZINC000691494834 970032111 /nfs/dbraw/zinc/03/21/11/970032111.db2.gz PDVFOHLHZBVACW-CYBMUJFWSA-N 1 0 235.327 2.223 20 10 BECDRO C[C@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001170102778 970304123 /nfs/dbraw/zinc/30/41/23/970304123.db2.gz CGQRLGSWEJFRSC-JQWIXIFHSA-N 1 0 235.327 2.419 20 10 BECDRO CC[C@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509233 972856297 /nfs/dbraw/zinc/85/62/97/972856297.db2.gz PXLGFXUQBQQWIA-VIFPVBQESA-N 1 0 237.299 2.178 20 10 BECDRO CCN1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001173354308 975312573 /nfs/dbraw/zinc/31/25/73/975312573.db2.gz ZDJISHXNVYMGLY-ZDUSSCGKSA-N 1 0 248.370 2.193 20 10 BECDRO CN(C)c1ccc(O[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001227939296 975801935 /nfs/dbraw/zinc/80/19/35/975801935.db2.gz RPCCKWGHZNMCPT-OAHLLOKOSA-N 1 0 246.354 2.226 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@]23CCOC3)c1O ZINC001231594059 977641913 /nfs/dbraw/zinc/64/19/13/977641913.db2.gz CNKNTXIGRRWPGP-AWEZNQCLSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC(=O)[C@H](C)C2)c1O ZINC001231590990 977643873 /nfs/dbraw/zinc/64/38/73/977643873.db2.gz NEXPDPAAWZSLII-LLVKDONJSA-N 1 0 233.311 2.112 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCC3(COC3)C2)c1O ZINC001231591606 977643922 /nfs/dbraw/zinc/64/39/22/977643922.db2.gz IJPISEAOUFMJMP-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO COC1(C)C[NH+](Cc2c(C)cc(C)cc2O)C1 ZINC001231841510 977754644 /nfs/dbraw/zinc/75/46/44/977754644.db2.gz BIDHINMKUMAIPC-UHFFFAOYSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2CO)c(O)c1 ZINC001231840983 977757115 /nfs/dbraw/zinc/75/71/15/977757115.db2.gz BJAGRHBYFPYRBF-ZDUSSCGKSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1cc(C)c(C[NH+]2CC(C3COC3)C2)c(O)c1 ZINC001231842797 977760157 /nfs/dbraw/zinc/76/01/57/977760157.db2.gz PWPWALYFYYEROK-UHFFFAOYSA-N 1 0 247.338 2.087 20 10 BECDRO Cc1cc(C)c(CN2CC(C)([NH+](C)C)C2)c(O)c1 ZINC001231846839 977761062 /nfs/dbraw/zinc/76/10/62/977761062.db2.gz RATMKBZUYOSQAI-UHFFFAOYSA-N 1 0 248.370 2.145 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c(O)c1 ZINC001231845551 977761488 /nfs/dbraw/zinc/76/14/88/977761488.db2.gz AEIHVOHXBBFXOI-QWHCGFSZSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1cc(C)c(C[N@H+](C2CC2)C2COC2)c(O)c1 ZINC001231846457 977764244 /nfs/dbraw/zinc/76/42/44/977764244.db2.gz MGWXGBWUDUSZCY-UHFFFAOYSA-N 1 0 247.338 2.372 20 10 BECDRO COc1cc(N(C)C)ccc1C[NH+]1CC(C)C1 ZINC001231849766 977768512 /nfs/dbraw/zinc/76/85/12/977768512.db2.gz YWKDTQYFRNZUBB-UHFFFAOYSA-N 1 0 234.343 2.213 20 10 BECDRO CC1(O)C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC001231879917 977781612 /nfs/dbraw/zinc/78/16/12/977781612.db2.gz WCNCTCXGOFWHHL-UHFFFAOYSA-N 1 0 243.306 2.112 20 10 BECDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232834701 978303613 /nfs/dbraw/zinc/30/36/13/978303613.db2.gz JXIDCWMUTHPIQR-LLVKDONJSA-N 1 0 234.343 2.443 20 10 BECDRO CC[NH+](CC)Cc1ccc(N(C)C)cc1O ZINC001232835141 978309005 /nfs/dbraw/zinc/30/90/05/978309005.db2.gz XFCJNNSLSSERMH-UHFFFAOYSA-N 1 0 222.332 2.300 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC001232840704 978310508 /nfs/dbraw/zinc/31/05/08/978310508.db2.gz HKTLZLRKGJQWGF-SMDDNHRTSA-N 1 0 246.354 2.443 20 10 BECDRO CC[C@H](C)[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233012937 978414824 /nfs/dbraw/zinc/41/48/24/978414824.db2.gz LEMQNKBRWXPIHU-QMMMGPOBSA-N 1 0 225.288 2.034 20 10 BECDRO 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CC[C@@H]1CNCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001235770701 979149371 /nfs/dbraw/zinc/14/93/71/979149371.db2.gz GPHKGJNPYBXEON-CYBMUJFWSA-N 1 0 248.370 2.193 20 10 BECDRO CCc1ccc(C[NH+]2CCC(C)(O)CC2)c(O)c1 ZINC001236783336 979729808 /nfs/dbraw/zinc/72/98/08/979729808.db2.gz JZGHHKIXCQTGLO-UHFFFAOYSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(O)c1 ZINC001236784602 979730147 /nfs/dbraw/zinc/73/01/47/979730147.db2.gz XGTNCSDJEMTGRN-GFCCVEGCSA-N 1 0 223.291 2.498 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c(O)c1 ZINC001236789634 979732585 /nfs/dbraw/zinc/73/25/85/979732585.db2.gz BWKCOWXIYKRHBA-RISCZKNCSA-N 1 0 249.354 2.300 20 10 BECDRO CCc1ccc(C[N@H+](CC)CCOC)c(O)c1 ZINC001236782504 979733846 /nfs/dbraw/zinc/73/38/46/979733846.db2.gz BRWOAMBRSACKIH-UHFFFAOYSA-N 1 0 237.343 2.423 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c(O)c1 ZINC001236789637 979734267 /nfs/dbraw/zinc/73/42/67/979734267.db2.gz BWKCOWXIYKRHBA-SMDDNHRTSA-N 1 0 249.354 2.300 20 10 BECDRO CCc1ccc(C[N@@H+]2CCOCC23CC3)c(O)c1 ZINC001236793423 979740475 /nfs/dbraw/zinc/74/04/75/979740475.db2.gz WIJMZHXCCAMOCH-UHFFFAOYSA-N 1 0 247.338 2.319 20 10 BECDRO COc1cc(C)c(C[NH+]2CC=CC2)c(O)c1 ZINC001236819114 979749448 /nfs/dbraw/zinc/74/94/48/979749448.db2.gz TXENYYPCVSBUCF-UHFFFAOYSA-N 1 0 219.284 2.081 20 10 BECDRO CC1(O)C[NH+](Cc2cc3ccccc3cc2O)C1 ZINC001236827653 979749506 /nfs/dbraw/zinc/74/95/06/979749506.db2.gz VMMDSGJNMGUKKA-UHFFFAOYSA-N 1 0 243.306 2.112 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC001237053979 979811428 /nfs/dbraw/zinc/81/14/28/979811428.db2.gz SAAMXFAJDNRCCU-LBPRGKRZSA-N 1 0 249.354 2.330 20 10 BECDRO Cc1cccc(O)c1CN(C)Cc1ncccn1 ZINC001237482136 979909095 /nfs/dbraw/zinc/90/90/95/979909095.db2.gz JPCWWNMIMSQFTN-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001237485899 979910025 /nfs/dbraw/zinc/91/00/25/979910025.db2.gz VHHTYOPQCILBON-GFCCVEGCSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCOCC12CCC2 ZINC001237488060 979918804 /nfs/dbraw/zinc/91/88/04/979918804.db2.gz QLRVNXKZYHUYQR-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO CCCOC1C[NH+](Cc2c(C)cccc2O)C1 ZINC001237490327 979919378 /nfs/dbraw/zinc/91/93/78/979919378.db2.gz SULVLBQLDKQNQQ-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238064869 980132189 /nfs/dbraw/zinc/13/21/89/980132189.db2.gz REAHBGJWSADZPZ-LBPRGKRZSA-N 1 0 239.290 2.060 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H]1C[C@@H](O)C1 ZINC001344438416 980396650 /nfs/dbraw/zinc/39/66/50/980396650.db2.gz NRUGFAWPMTZSOX-NNYUYHANSA-N 1 0 247.338 2.362 20 10 BECDRO Nc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC001345159318 980569021 /nfs/dbraw/zinc/56/90/21/980569021.db2.gz GBVXXWUQXJAVNY-ZFWWWQNUSA-N 1 0 246.354 2.270 20 10 BECDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001345159142 980571003 /nfs/dbraw/zinc/57/10/03/980571003.db2.gz CGAKNCHCOIEKKR-CQSZACIVSA-N 1 0 234.343 2.006 20 10 BECDRO C[N@H+](Cc1cccc(F)c1[O-])C1CCOCC1 ZINC000160200685 982515086 /nfs/dbraw/zinc/51/50/86/982515086.db2.gz VKXNXSBWIUYUGV-UHFFFAOYSA-N 1 0 239.290 2.142 20 10 BECDRO CC(C)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001201478886 983285436 /nfs/dbraw/zinc/28/54/36/983285436.db2.gz MSOZLNPQAFSPLR-UHFFFAOYSA-N 1 0 205.301 2.406 20 10 BECDRO CC[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001201587335 983350904 /nfs/dbraw/zinc/35/09/04/983350904.db2.gz FVPZFXPQWCRQJO-UHFFFAOYSA-N 1 0 234.343 2.146 20 10 BECDRO C[N@H+](Cc1ccccc1O)CC12CC(C)(C1)OC2 ZINC001459689151 985583664 /nfs/dbraw/zinc/58/36/64/985583664.db2.gz RKYJMZUYJFPNCB-UHFFFAOYSA-N 1 0 247.338 2.393 20 10 BECDRO Cc1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(O)c1 ZINC001579691223 986193240 /nfs/dbraw/zinc/19/32/40/986193240.db2.gz RNSFIFOGGCFFFY-OKILXGFUSA-N 1 0 246.354 2.027 20 10 BECDRO CCc1cccc(C[NH2+][C@H](CC)[C@H](C)O)c1O ZINC000691449483 987282855 /nfs/dbraw/zinc/28/28/55/987282855.db2.gz UCQUGFFXESPQCR-GXFFZTMASA-N 1 0 237.343 2.204 20 10 BECDRO CCc1cccc(C[NH2+][C@H](CC)[C@@H](C)O)c1O ZINC000691449487 987284943 /nfs/dbraw/zinc/28/49/43/987284943.db2.gz UCQUGFFXESPQCR-ZWNOBZJWSA-N 1 0 237.343 2.204 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+]C/C=C\CO)c1 ZINC001474619437 987781349 /nfs/dbraw/zinc/78/13/49/987781349.db2.gz BDVOGFQMZGSLHE-ARJAWSKDSA-N 1 0 235.327 2.154 20 10 BECDRO C[C@H](C[NH3+])N(C)Cc1ccc(N2CCCC2)cc1 ZINC001118178997 988078589 /nfs/dbraw/zinc/07/85/89/988078589.db2.gz IPWSYHUADFUTNC-CYBMUJFWSA-N 1 0 247.386 2.066 20 10 BECDRO [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001138123811 990885899 /nfs/dbraw/zinc/88/58/99/990885899.db2.gz MXKRVSOHNAPZFB-NHCYSSNCSA-N 1 0 239.265 2.321 20 10 BECDRO [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001138123810 990887059 /nfs/dbraw/zinc/88/70/59/990887059.db2.gz MXKRVSOHNAPZFB-JBLDHEPKSA-N 1 0 239.265 2.321 20 10 BECDRO C[N@H+](Cc1ccccc1O)Cc1ncccc1O ZINC001138394160 990926752 /nfs/dbraw/zinc/92/67/52/990926752.db2.gz HRPJRUHBSYQDSN-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO COc1cc[nH+]c(NCc2ccc(N)cc2)c1 ZINC000083356703 991119097 /nfs/dbraw/zinc/11/90/97/991119097.db2.gz KBESVENKUFKVTE-UHFFFAOYSA-N 1 0 229.283 2.285 20 10 BECDRO CCC1(C[N@@H+]2CCc3cccc(O)c3C2)COC1 ZINC001202963564 991339133 /nfs/dbraw/zinc/33/91/33/991339133.db2.gz CAVGZGCICQNGFA-UHFFFAOYSA-N 1 0 247.338 2.177 20 10 BECDRO Oc1ccc(F)cc1C[NH+]1CC2(CSC2)C1 ZINC001140060268 991511223 /nfs/dbraw/zinc/51/12/23/991511223.db2.gz SQKQMKWVQGEVQR-UHFFFAOYSA-N 1 0 239.315 2.080 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178784 991549440 /nfs/dbraw/zinc/54/94/40/991549440.db2.gz XNVRKHGVICNZDN-LBPRGKRZSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C)C2)c1O ZINC001140182080 991550807 /nfs/dbraw/zinc/55/08/07/991550807.db2.gz IBJGACBJVKOMMD-ZDUSSCGKSA-N 1 0 248.370 2.145 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CCOC[C@@H](C)C2)c1O ZINC001140178245 991551581 /nfs/dbraw/zinc/55/15/81/991551581.db2.gz FDYHBCDFLHOCMP-NSHDSACASA-N 1 0 249.354 2.477 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC001140178749 991553173 /nfs/dbraw/zinc/55/31/73/991553173.db2.gz WNVPYTMXXWNGCW-JSGCOSHPSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@](C)(O)C2)c1O ZINC001140181552 991553389 /nfs/dbraw/zinc/55/33/89/991553389.db2.gz CZNAUWFWSZWYPU-OAHLLOKOSA-N 1 0 249.354 2.356 20 10 BECDRO CC[N@H+](Cc1c(C)ccc(C)c1O)C1CN(C)C1 ZINC001140184848 991556356 /nfs/dbraw/zinc/55/63/56/991556356.db2.gz IIKLXRKPQZRNBV-UHFFFAOYSA-N 1 0 248.370 2.145 20 10 BECDRO C[N@@H+](Cc1c(O)cccc1Cl)CC1COC1 ZINC001140341455 991609998 /nfs/dbraw/zinc/60/99/98/991609998.db2.gz OTYHAOQKHBTCGJ-UHFFFAOYSA-N 1 0 241.718 2.124 20 10 BECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(O)cccc1Cl ZINC001140337775 991611943 /nfs/dbraw/zinc/61/19/43/991611943.db2.gz DOKJTGLTZGVYIZ-RKDXNWHRSA-N 1 0 241.718 2.001 20 10 BECDRO Oc1cc(Cl)ccc1C[NH2+]CCOCCF ZINC001560950281 991667876 /nfs/dbraw/zinc/66/78/76/991667876.db2.gz WZFLZUMXLCWHAJ-UHFFFAOYSA-N 1 0 247.697 2.121 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCN2C)c1 ZINC001561017351 991687631 /nfs/dbraw/zinc/68/76/31/991687631.db2.gz WJMOVXJQRIRTBW-AWEZNQCLSA-N 1 0 248.370 2.309 20 10 BECDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001576039786 993164974 /nfs/dbraw/zinc/16/49/74/993164974.db2.gz FZAZZYIXOSULCZ-LLVKDONJSA-N 1 0 222.332 2.172 20 10 BECDRO C[C@@H]1CCCN(CC[NH2+]Cc2ccc(N)cc2)C1 ZINC001576709131 993400412 /nfs/dbraw/zinc/40/04/12/993400412.db2.gz OADFDIRQEMDMIX-CYBMUJFWSA-N 1 0 247.386 2.090 20 10 BECDRO CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000389563224 993755388 /nfs/dbraw/zinc/75/53/88/993755388.db2.gz URIZCOIMBHJRHI-NEPJUHHUSA-N 1 0 234.343 2.137 20 10 BECDRO CCO[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000701662444 993903336 /nfs/dbraw/zinc/90/33/36/993903336.db2.gz PLPTYOHPVYNQAP-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO CCC1(CO)CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001337837446 995223886 /nfs/dbraw/zinc/22/38/86/995223886.db2.gz BCXUZWZGIHFJSY-UHFFFAOYSA-N 1 0 248.370 2.253 20 10 BECDRO C[C@H]([NH2+]Cc1ccnc(N)c1)c1ccccc1O ZINC001308010647 995518808 /nfs/dbraw/zinc/51/88/08/995518808.db2.gz VMCGRVMUADLIIQ-JTQLQIEISA-N 1 0 243.310 2.220 20 10 BECDRO Cc1nc(C[NH2+]CCc2ccc(N)cc2)cs1 ZINC000049539061 1171701351 /nfs/dbraw/zinc/70/13/51/1171701351.db2.gz MJSRDIAKHBUKFY-UHFFFAOYSA-N 1 0 247.367 2.366 20 10 BECDRO Cc1cc(C[N@@H+]2CC[C@@](C)(O)C2)ccc1N(C)C ZINC000292895327 178000410 /nfs/dbraw/zinc/00/04/10/178000410.db2.gz VMMIENNDFZCCJH-OAHLLOKOSA-N 1 0 248.370 2.018 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000123534899 187326774 /nfs/dbraw/zinc/32/67/74/187326774.db2.gz XEBBZEAMOWJRLW-QWRGUYRKSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCCOCC2)cc1C ZINC000363377683 178196143 /nfs/dbraw/zinc/19/61/43/178196143.db2.gz HHKUMRBGTKZZAJ-UHFFFAOYSA-N 1 0 235.327 2.231 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCc2cn[nH]c2)cc1C ZINC000289981565 178197202 /nfs/dbraw/zinc/19/72/02/178197202.db2.gz WWIATRUDNVZWCQ-UHFFFAOYSA-N 1 0 245.326 2.064 20 10 BECDRO CCC(CC)[NH2+]Cc1ccc(O)c(O)c1 ZINC000019883791 168390022 /nfs/dbraw/zinc/39/00/22/168390022.db2.gz ZRVIVFWWLQTJKG-UHFFFAOYSA-N 1 0 209.289 2.376 20 10 BECDRO Cc1cc2c(c(-c3nccn3C)c1)CC[NH2+]C2 ZINC000630052570 361921270 /nfs/dbraw/zinc/92/12/70/361921270.db2.gz MKMKPOISJQUBQE-UHFFFAOYSA-N 1 0 227.311 2.041 20 10 BECDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccccc1O ZINC000128225264 398339767 /nfs/dbraw/zinc/33/97/67/398339767.db2.gz WMNDEMWEVMIVIJ-XDTLVQLUSA-N 1 0 235.327 2.202 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)CC[C@@H](C)O)cc1C ZINC000093481375 344318296 /nfs/dbraw/zinc/31/82/96/344318296.db2.gz FJAUUEFKXALBDE-GFCCVEGCSA-N 1 0 237.343 2.212 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)CC2(O)CCCC2)c1 ZINC000093503204 345674341 /nfs/dbraw/zinc/67/43/41/345674341.db2.gz OUTUBOZUNPUHDO-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cccc(C[N@H+](C)Cc2cnccn2)c1O ZINC000179886118 179069256 /nfs/dbraw/zinc/06/92/56/179069256.db2.gz VQSBLDBKCJKCDQ-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1O ZINC000180308409 179077464 /nfs/dbraw/zinc/07/74/64/179077464.db2.gz ILMDUHATONBAQA-TZMCWYRMSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC000180377132 179077918 /nfs/dbraw/zinc/07/79/18/179077918.db2.gz OQVLPMIPENTOQS-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000364520167 179078306 /nfs/dbraw/zinc/07/83/06/179078306.db2.gz KMEDKWCMKXQIOD-CQSZACIVSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(C[N@H+]2CCOC[C@@H](C)C2)c1O ZINC000378445180 179078946 /nfs/dbraw/zinc/07/89/46/179078946.db2.gz SLMLMAFQXUOJJI-NSHDSACASA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cccc(C[NH2+]C2(CCO)CCCC2)c1O ZINC000289377955 179088029 /nfs/dbraw/zinc/08/80/29/179088029.db2.gz MFMSPBPKKMAXPK-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO Cc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000124498753 179084389 /nfs/dbraw/zinc/08/43/89/179084389.db2.gz PDZJBDWWBXJBHC-RYUDHWBXSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1O ZINC000112018082 180340642 /nfs/dbraw/zinc/34/06/42/180340642.db2.gz FVCKSGHYFGLNAL-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO Cc1cccc(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000637907111 351777173 /nfs/dbraw/zinc/77/71/73/351777173.db2.gz JFNDWBPIIRDXMZ-GFCCVEGCSA-N 1 0 230.311 2.005 20 10 BECDRO COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1C ZINC000035052588 188284610 /nfs/dbraw/zinc/28/46/10/188284610.db2.gz ROMWRAOVVVVNLX-CYBMUJFWSA-N 1 0 235.327 2.272 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCc2nccs2)c1 ZINC000071409388 188305480 /nfs/dbraw/zinc/30/54/80/188305480.db2.gz ODCBTRYTVKXTTQ-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO CC(C)[N@H+](Cc1cc(F)ccc1O)C1COC1 ZINC000296186293 188395040 /nfs/dbraw/zinc/39/50/40/188395040.db2.gz YCJMROKCTNINHX-UHFFFAOYSA-N 1 0 239.290 2.141 20 10 BECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000191694425 355833923 /nfs/dbraw/zinc/83/39/23/355833923.db2.gz IBEWCEKGYSAFAS-QWRGUYRKSA-N 1 0 223.316 2.214 20 10 BECDRO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296587160 364785522 /nfs/dbraw/zinc/78/55/22/364785522.db2.gz WMARVVUNTSGSAR-RTXFEEFZSA-N 1 0 247.338 2.394 20 10 BECDRO CC[C@@H](O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297079985 364788499 /nfs/dbraw/zinc/78/84/99/364788499.db2.gz WSEJBNMZLQWFFV-NEPJUHHUSA-N 1 0 235.327 2.130 20 10 BECDRO CC[C@H](O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297079991 364788608 /nfs/dbraw/zinc/78/86/08/364788608.db2.gz WSEJBNMZLQWFFV-NWDGAFQWSA-N 1 0 235.327 2.130 20 10 BECDRO OCC[N@H+](Cc1c(O)cccc1Cl)C1CC1 ZINC000128122712 183068169 /nfs/dbraw/zinc/06/81/69/183068169.db2.gz ZONPOQQACMTFJB-UHFFFAOYSA-N 1 0 241.718 2.002 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CCOCC1CC1 ZINC000226608058 183275000 /nfs/dbraw/zinc/27/50/00/183275000.db2.gz FTRCGCNISAARQO-UHFFFAOYSA-N 1 0 239.290 2.048 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C1CC(F)(F)C1 ZINC000277572276 183275122 /nfs/dbraw/zinc/27/51/22/183275122.db2.gz SQJOAPBLUCBIPL-UHFFFAOYSA-N 1 0 231.217 2.419 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CC1CCC1 ZINC000226587618 183275285 /nfs/dbraw/zinc/27/52/85/183275285.db2.gz UCKGMGRRYLEWEL-UHFFFAOYSA-N 1 0 209.264 2.421 20 10 BECDRO Oc1ccc(F)cc1C[NH+]1CCSCC1 ZINC000179912391 183275675 /nfs/dbraw/zinc/27/56/75/183275675.db2.gz NGMPZTMVSDTHSU-UHFFFAOYSA-N 1 0 227.304 2.080 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCOC1)CC2 ZINC000296072362 183297084 /nfs/dbraw/zinc/29/70/84/183297084.db2.gz SDTAPFQBDILBFD-JQWIXIFHSA-N 1 0 233.311 2.006 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCOC1)CC2 ZINC000296072368 183297983 /nfs/dbraw/zinc/29/79/83/183297983.db2.gz SDTAPFQBDILBFD-ZYHUDNBSSA-N 1 0 233.311 2.006 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCOC1)CC2 ZINC000296072356 183298069 /nfs/dbraw/zinc/29/80/69/183298069.db2.gz SDTAPFQBDILBFD-CMPLNLGQSA-N 1 0 233.311 2.006 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCCC[C@H]1O)CC2 ZINC000297598672 183298200 /nfs/dbraw/zinc/29/82/00/183298200.db2.gz HYEGSPCEBXXGCB-YNEHKIRRSA-N 1 0 247.338 2.273 20 10 BECDRO Oc1ccccc1C[NH2+]C1CCSCC1 ZINC000075152004 183301039 /nfs/dbraw/zinc/30/10/39/183301039.db2.gz FKHGWJYPTWPBPH-UHFFFAOYSA-N 1 0 223.341 2.377 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC12CCOCC2 ZINC000375732678 183301108 /nfs/dbraw/zinc/30/11/08/183301108.db2.gz PYUAHXIQSBVBEW-UHFFFAOYSA-N 1 0 233.311 2.147 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375303685 183302307 /nfs/dbraw/zinc/30/23/07/183302307.db2.gz PLJHAPRPQJLJTA-HNNXBMFYSA-N 1 0 247.338 2.395 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCOC1 ZINC000271460098 169179969 /nfs/dbraw/zinc/17/99/69/169179969.db2.gz WVFHKQSXHVFYAL-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO c1cc2c(cc1C[NH2+]C1CC1)CCCO2 ZINC000062351236 183367476 /nfs/dbraw/zinc/36/74/76/183367476.db2.gz XGKJFWWONBZXLV-UHFFFAOYSA-N 1 0 203.285 2.264 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCc2cccnc2)c1 ZINC000071408018 383860606 /nfs/dbraw/zinc/86/06/06/383860606.db2.gz JOYZLHUTXRSKGZ-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO CC[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628936 383864778 /nfs/dbraw/zinc/86/47/78/383864778.db2.gz WHKCSGAYJHVSRC-GHMZBOCLSA-N 1 0 223.316 2.122 20 10 BECDRO CCOCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000036228263 383886131 /nfs/dbraw/zinc/88/61/31/383886131.db2.gz LDQUMZUUIPNGSF-NSHDSACASA-N 1 0 223.316 2.388 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1O ZINC000038044197 384062182 /nfs/dbraw/zinc/06/21/82/384062182.db2.gz QJMYCKFEFYEEFC-VXGBXAGGSA-N 1 0 235.327 2.469 20 10 BECDRO C[C@@H]([NH2+]CCCCCO)c1ccccc1O ZINC000038272165 384081688 /nfs/dbraw/zinc/08/16/88/384081688.db2.gz FTXVZLBMVKCLSW-LLVKDONJSA-N 1 0 223.316 2.205 20 10 BECDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccccc1O ZINC000070625205 384124575 /nfs/dbraw/zinc/12/45/75/384124575.db2.gz IZUPUACWVXKAJS-WDEREUQCSA-N 1 0 223.316 2.468 20 10 BECDRO CO[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000091772765 384144347 /nfs/dbraw/zinc/14/43/47/384144347.db2.gz CYOJZOAEVMYOAA-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)CC(C)C)c1 ZINC000071408303 384166259 /nfs/dbraw/zinc/16/62/59/384166259.db2.gz VWCSDPMCTUPFMZ-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000071409186 384166611 /nfs/dbraw/zinc/16/66/11/384166611.db2.gz PRABIXRGWGDLCK-JSGCOSHPSA-N 1 0 235.327 2.094 20 10 BECDRO CCN1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000071408228 384166703 /nfs/dbraw/zinc/16/67/03/384166703.db2.gz QJYKVWLSQJJKKG-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCO)c(O)c1 ZINC000132549600 384236919 /nfs/dbraw/zinc/23/69/19/384236919.db2.gz XUARHGIHUBCALW-MNOVXSKESA-N 1 0 223.316 2.122 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000132759215 384248995 /nfs/dbraw/zinc/24/89/95/384248995.db2.gz MHDYCQOOTFZYHX-ZFWWWQNUSA-N 1 0 247.338 2.454 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H]1CCOC1 ZINC000297156521 384263841 /nfs/dbraw/zinc/26/38/41/384263841.db2.gz BDEICBLHTXNXHK-WCFLWFBJSA-N 1 0 247.338 2.394 20 10 BECDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617744 384307578 /nfs/dbraw/zinc/30/75/78/384307578.db2.gz LXBJPEZPCMEHML-SECBINFHSA-N 1 0 249.289 2.414 20 10 BECDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(F)ccc1O ZINC000094617848 384308136 /nfs/dbraw/zinc/30/81/36/384308136.db2.gz LPBPRMLUIWNVES-SECBINFHSA-N 1 0 249.289 2.116 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(C)COC2)c1 ZINC000094721617 384311440 /nfs/dbraw/zinc/31/14/40/384311440.db2.gz JERIUHXHUYMEMF-LLVKDONJSA-N 1 0 235.327 2.388 20 10 BECDRO COCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000045018608 384369071 /nfs/dbraw/zinc/36/90/71/384369071.db2.gz GHYXNMQMVUAFAY-LBPRGKRZSA-N 1 0 236.359 2.267 20 10 BECDRO C[C@@H]([NH2+]C[C@H](C)CO)c1cc(Cl)ccc1O ZINC000134914646 384396918 /nfs/dbraw/zinc/39/69/18/384396918.db2.gz NPRHPLDBZJBAME-DTWKUNHWSA-N 1 0 243.734 2.325 20 10 BECDRO C[C@@H](CO)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134914667 384397208 /nfs/dbraw/zinc/39/72/08/384397208.db2.gz NPRHPLDBZJBAME-RKDXNWHRSA-N 1 0 243.734 2.325 20 10 BECDRO CCN(CC[NH2+]Cc1cccc(C)c1O)C1CC1 ZINC000224576898 384455841 /nfs/dbraw/zinc/45/58/41/384455841.db2.gz CDCSAHRTTXLRCX-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000136095810 384481090 /nfs/dbraw/zinc/48/10/90/384481090.db2.gz DYEIQGMPQQXOMN-MFKMUULPSA-N 1 0 217.312 2.367 20 10 BECDRO CC[C@H]([NH2+]C[C@H](C)CCO)c1ccccc1O ZINC000097439800 384519498 /nfs/dbraw/zinc/51/94/98/384519498.db2.gz CMGLHKWDOIOEOF-YPMHNXCESA-N 1 0 237.343 2.451 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CCC(C)(CO)CC2)c1 ZINC000184068774 384559406 /nfs/dbraw/zinc/55/94/06/384559406.db2.gz QBUHUGLREKTDCW-UHFFFAOYSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC2(N(C)C)CCC2)c1 ZINC000097929478 384580128 /nfs/dbraw/zinc/58/01/28/384580128.db2.gz ASQZNDBLOXEOJX-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO C[C@H]([NH2+]CCCn1ccnc1)c1ccccc1O ZINC000020506289 384619448 /nfs/dbraw/zinc/61/94/48/384619448.db2.gz FHHPGADZQSJYJL-LBPRGKRZSA-N 1 0 245.326 2.330 20 10 BECDRO COCC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000081709152 384628973 /nfs/dbraw/zinc/62/89/73/384628973.db2.gz SIGQKMDUYLHTPP-WDEREUQCSA-N 1 0 223.316 2.468 20 10 BECDRO C[C@H](O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184829086 384652755 /nfs/dbraw/zinc/65/27/55/384652755.db2.gz QUPHYQLLQQYSOI-QWRGUYRKSA-N 1 0 249.354 2.302 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c(O)c1 ZINC000185142341 384684067 /nfs/dbraw/zinc/68/40/67/384684067.db2.gz FUUUGZLVNKOWJO-OLZOCXBDSA-N 1 0 248.370 2.445 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000141897788 384687819 /nfs/dbraw/zinc/68/78/19/384687819.db2.gz YMBJNYTZJVOGQL-BETUJISGSA-N 1 0 248.370 2.225 20 10 BECDRO CC[C@@H](COC)[NH2+]Cc1cccc(C)c1O ZINC000162867502 384699590 /nfs/dbraw/zinc/69/95/90/384699590.db2.gz KKMSDOLCXGXKEY-LBPRGKRZSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)O)c1 ZINC000082992802 384734149 /nfs/dbraw/zinc/73/41/49/384734149.db2.gz LSVNJQALSNKPIT-WDEREUQCSA-N 1 0 223.316 2.122 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)O)c1 ZINC000082992798 384734927 /nfs/dbraw/zinc/73/49/27/384734927.db2.gz LSVNJQALSNKPIT-GHMZBOCLSA-N 1 0 223.316 2.122 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)CO)c1cc2c(cc1O)CCCC2 ZINC000185579318 384741354 /nfs/dbraw/zinc/74/13/54/384741354.db2.gz TUFWWGHRZGAJFF-WDEREUQCSA-N 1 0 249.354 2.302 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000290838304 384818454 /nfs/dbraw/zinc/81/84/54/384818454.db2.gz IBEWCEKGYSAFAS-MNOVXSKESA-N 1 0 223.316 2.214 20 10 BECDRO CC[C@@H](C[NH2+][C@H](C)c1ccccc1O)OC ZINC000289602081 384790182 /nfs/dbraw/zinc/79/01/82/384790182.db2.gz BPTUNCKWFLTMHG-MNOVXSKESA-N 1 0 223.316 2.468 20 10 BECDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000085981151 384976421 /nfs/dbraw/zinc/97/64/21/384976421.db2.gz WCNYBEDFVIMSSG-NEPJUHHUSA-N 1 0 236.359 2.174 20 10 BECDRO CCOCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111379 385073563 /nfs/dbraw/zinc/07/35/63/385073563.db2.gz WTOGWVRNISTGLD-VIFPVBQESA-N 1 0 227.279 2.218 20 10 BECDRO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(N(C)C)cc1 ZINC000086622778 385029053 /nfs/dbraw/zinc/02/90/53/385029053.db2.gz SPOSJPYAVFELKF-NWDGAFQWSA-N 1 0 236.359 2.032 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccccc1O ZINC000189315901 385145264 /nfs/dbraw/zinc/14/52/64/385145264.db2.gz QJRFETVGNWMENF-WOPDTQHZSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C)c(O)c1 ZINC000168535732 385375007 /nfs/dbraw/zinc/37/50/07/385375007.db2.gz BXUYOHFOPWFMPG-RYUDHWBXSA-N 1 0 236.359 2.301 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C)c(O)c1 ZINC000168535639 385375430 /nfs/dbraw/zinc/37/54/30/385375430.db2.gz BXUYOHFOPWFMPG-NWDGAFQWSA-N 1 0 236.359 2.301 20 10 BECDRO C[C@H]([NH2+]CCF)c1cc(F)ccc1O ZINC000281082290 385394391 /nfs/dbraw/zinc/39/43/91/385394391.db2.gz PEZFFDWCEQDEJI-ZETCQYMHSA-N 1 0 201.216 2.151 20 10 BECDRO CN(C)c1ccc(C[NH+]2CCC(C)(O)CC2)cc1 ZINC000179721496 385488024 /nfs/dbraw/zinc/48/80/24/385488024.db2.gz ZALNVYMBFRVDSK-UHFFFAOYSA-N 1 0 248.370 2.099 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCSC1 ZINC000179560699 385474529 /nfs/dbraw/zinc/47/45/29/385474529.db2.gz JFLDEFJXNKDSIT-LLVKDONJSA-N 1 0 223.341 2.330 20 10 BECDRO C[C@H](CCO)CC[NH2+]Cc1cc(F)ccc1O ZINC000295203879 385491934 /nfs/dbraw/zinc/49/19/34/385491934.db2.gz ZCTVIUSTIMKRBI-JTQLQIEISA-N 1 0 241.306 2.030 20 10 BECDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCSC1 ZINC000179928235 385500831 /nfs/dbraw/zinc/50/08/31/385500831.db2.gz BXPORSQPLSQJIK-LLVKDONJSA-N 1 0 241.331 2.469 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCC[C@H]1O ZINC000270517050 385714798 /nfs/dbraw/zinc/71/47/98/385714798.db2.gz LCQSRMMAEFABKW-TZMCWYRMSA-N 1 0 235.327 2.128 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCO)c(O)c1C ZINC000273359223 385992544 /nfs/dbraw/zinc/99/25/44/385992544.db2.gz ABQJCUFUPBTCAV-CMPLNLGQSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)c(O)c1C ZINC000273581505 386013701 /nfs/dbraw/zinc/01/37/01/386013701.db2.gz MSEGSLJJLZLUOP-ZYHUDNBSSA-N 1 0 237.343 2.431 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN(C)C)cc1 ZINC000287140969 386098199 /nfs/dbraw/zinc/09/81/99/386098199.db2.gz SGIWYPQUOIKAPP-CYBMUJFWSA-N 1 0 249.402 2.355 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)C)c(O)c1C ZINC000287182972 386099345 /nfs/dbraw/zinc/09/93/45/386099345.db2.gz VHHUOYZNWKFMHM-GFCCVEGCSA-N 1 0 236.359 2.221 20 10 BECDRO CC(C)C(=O)CC[N@H+](C)Cc1ccccc1O ZINC000289758168 386353522 /nfs/dbraw/zinc/35/35/22/386353522.db2.gz HVFXKBVMRHLWMI-UHFFFAOYSA-N 1 0 235.327 2.439 20 10 BECDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000135224865 386497764 /nfs/dbraw/zinc/49/77/64/386497764.db2.gz RVTYXBSZZXIBNR-GXTWGEPZSA-N 1 0 235.327 2.439 20 10 BECDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccccc1O ZINC000228851763 386627245 /nfs/dbraw/zinc/62/72/45/386627245.db2.gz WMNDEMWEVMIVIJ-TVYUQYBPSA-N 1 0 235.327 2.202 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000245921530 386610138 /nfs/dbraw/zinc/61/01/38/386610138.db2.gz NWFYHKVFZGLUBI-VXGBXAGGSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000279950679 386761069 /nfs/dbraw/zinc/76/10/69/386761069.db2.gz ZNCOSKLWRROPME-AWEZNQCLSA-N 1 0 249.354 2.341 20 10 BECDRO CO[C@@H](C[NH2+]Cc1cc(C)ccc1O)C1CC1 ZINC000293219936 386770217 /nfs/dbraw/zinc/77/02/17/386770217.db2.gz YQGUPBYFCOLGCF-AWEZNQCLSA-N 1 0 235.327 2.215 20 10 BECDRO CC(C)C1([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000292931683 387313066 /nfs/dbraw/zinc/31/30/66/387313066.db2.gz HALRWOJPVRUUET-UHFFFAOYSA-N 1 0 249.310 2.399 20 10 BECDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000292987380 387347716 /nfs/dbraw/zinc/34/77/16/387347716.db2.gz LUDBWBNKTUSJIW-OAHLLOKOSA-N 1 0 248.370 2.267 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC2COC2)c(Cl)c1 ZINC000527821642 387742938 /nfs/dbraw/zinc/74/29/38/387742938.db2.gz WEPGICDSTOCTAP-UHFFFAOYSA-N 1 0 241.718 2.090 20 10 BECDRO Oc1ccccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527741034 387707137 /nfs/dbraw/zinc/70/71/37/387707137.db2.gz WPBFTLDETUYMGN-LBPRGKRZSA-N 1 0 235.327 2.299 20 10 BECDRO Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1O ZINC000134235510 387805068 /nfs/dbraw/zinc/80/50/68/387805068.db2.gz JCLALJFQMUIHHB-UHFFFAOYSA-N 1 0 231.299 2.022 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000293692241 388359465 /nfs/dbraw/zinc/35/94/65/388359465.db2.gz KYFSLDQLIJKMAN-AWEZNQCLSA-N 1 0 248.370 2.410 20 10 BECDRO CO[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000293729344 388391505 /nfs/dbraw/zinc/39/15/05/388391505.db2.gz RFBMHFCPHPWFPT-TZMCWYRMSA-N 1 0 247.338 2.394 20 10 BECDRO CO[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000293729341 388392126 /nfs/dbraw/zinc/39/21/26/388392126.db2.gz RFBMHFCPHPWFPT-JSGCOSHPSA-N 1 0 247.338 2.394 20 10 BECDRO CN1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000295962469 388415424 /nfs/dbraw/zinc/41/54/24/388415424.db2.gz MFYJFXUJVHMAGN-ZDUSSCGKSA-N 1 0 246.354 2.063 20 10 BECDRO CCN(CC)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296135517 388417926 /nfs/dbraw/zinc/41/79/26/388417926.db2.gz VZEYZVWAQBIISE-CYBMUJFWSA-N 1 0 248.370 2.311 20 10 BECDRO C[C@@H](CCO)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297459622 388429776 /nfs/dbraw/zinc/42/97/76/388429776.db2.gz XREUHZHZKGXUHC-YPMHNXCESA-N 1 0 249.354 2.378 20 10 BECDRO CC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)OC ZINC000297490127 388429877 /nfs/dbraw/zinc/42/98/77/388429877.db2.gz ZXRZDDDPEVMKCY-NWDGAFQWSA-N 1 0 235.327 2.394 20 10 BECDRO CC(C)[C@H](CCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297622516 388430617 /nfs/dbraw/zinc/43/06/17/388430617.db2.gz IZGOUEPSEOJONB-QWHCGFSZSA-N 1 0 249.354 2.376 20 10 BECDRO CO[C@@H](C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297895355 388431984 /nfs/dbraw/zinc/43/19/84/388431984.db2.gz VTXSENWHPXGHSF-CMPLNLGQSA-N 1 0 235.327 2.394 20 10 BECDRO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1O ZINC000272852008 389036153 /nfs/dbraw/zinc/03/61/53/389036153.db2.gz LFZGVSFFMAODJK-GXFFZTMASA-N 1 0 237.343 2.450 20 10 BECDRO c1cc(N2CC[NH2+]CC2)ccc1OC1CCCC1 ZINC000019688468 132326342 /nfs/dbraw/zinc/32/63/42/132326342.db2.gz HJDDNNCOFXGUJP-UHFFFAOYSA-N 1 0 246.354 2.418 20 10 BECDRO CC(C)OC1CC([NH2+]Cc2ccccc2O)C1 ZINC000274591438 167176501 /nfs/dbraw/zinc/17/65/01/167176501.db2.gz NMLGMBGIJQBENX-UHFFFAOYSA-N 1 0 235.327 2.438 20 10 BECDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296252918 168008444 /nfs/dbraw/zinc/00/84/44/168008444.db2.gz BHXKYNJDIDZYKB-RAIGVLPGSA-N 1 0 247.338 2.129 20 10 BECDRO CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)COC1 ZINC000297970099 168045531 /nfs/dbraw/zinc/04/55/31/168045531.db2.gz ZSRIWPHYPXPALX-LLVKDONJSA-N 1 0 233.311 2.006 20 10 BECDRO CC1([NH2+]Cc2ccccc2O)CCOCC1 ZINC000131138606 168064242 /nfs/dbraw/zinc/06/42/42/168064242.db2.gz JWDSVVJAJAOYAG-UHFFFAOYSA-N 1 0 221.300 2.051 20 10 BECDRO CCOCCC[NH2+]Cc1cccc(C)c1O ZINC000083352845 170381490 /nfs/dbraw/zinc/38/14/90/170381490.db2.gz VCYLXJZMPQROOT-UHFFFAOYSA-N 1 0 223.316 2.217 20 10 BECDRO CC[C@@H]1CC[N@@H+]1Cc1cccc(OC)c1O ZINC000292872606 171023440 /nfs/dbraw/zinc/02/34/40/171023440.db2.gz WOCHNUWQSZCABZ-LLVKDONJSA-N 1 0 221.300 2.385 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000132003020 171087510 /nfs/dbraw/zinc/08/75/10/171087510.db2.gz XQOTUARGAFGTEG-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037238448 171451780 /nfs/dbraw/zinc/45/17/80/171451780.db2.gz OAIJBZRSOKFEEL-WCQYABFASA-N 1 0 236.359 2.174 20 10 BECDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000293616579 171576707 /nfs/dbraw/zinc/57/67/07/171576707.db2.gz JLKRMERUIRRIQD-NEPJUHHUSA-N 1 0 237.343 2.431 20 10 BECDRO CN(C)C(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296110996 172396232 /nfs/dbraw/zinc/39/62/32/172396232.db2.gz UTNFZEYEKUCZOI-GFCCVEGCSA-N 1 0 248.370 2.309 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038043674 172551974 /nfs/dbraw/zinc/55/19/74/172551974.db2.gz QIBNQOVBOBJJBM-CQSZACIVSA-N 1 0 248.370 2.269 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000293692249 172554258 /nfs/dbraw/zinc/55/42/58/172554258.db2.gz KYFSLDQLIJKMAN-CQSZACIVSA-N 1 0 248.370 2.410 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](CO)[C@H]2C)c1O ZINC001652321036 1173060833 /nfs/dbraw/zinc/06/08/33/1173060833.db2.gz HACBOJHHAYOREO-BXUZGUMPSA-N 1 0 249.354 2.157 20 10 BECDRO COCC1=CC[N@H+](Cc2ccccc2O)CC1 ZINC000187616292 174116787 /nfs/dbraw/zinc/11/67/87/174116787.db2.gz QWZWZKBXJZCEAR-UHFFFAOYSA-N 1 0 233.311 2.171 20 10 BECDRO COCCCCC[NH2+]Cc1ccccc1O ZINC000163761281 174182372 /nfs/dbraw/zinc/18/23/72/174182372.db2.gz JYQJTVBDPVBKSQ-UHFFFAOYSA-N 1 0 223.316 2.299 20 10 BECDRO COC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000044478092 174443038 /nfs/dbraw/zinc/44/30/38/174443038.db2.gz ZGHLYDCCKSGJJX-NSHDSACASA-N 1 0 237.343 2.376 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292819927 174890524 /nfs/dbraw/zinc/89/05/24/174890524.db2.gz NZDRMBUJAMPTMP-AWEZNQCLSA-N 1 0 248.370 2.282 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1C ZINC000221147336 175107495 /nfs/dbraw/zinc/10/74/95/175107495.db2.gz XFYYOJXYNZVICN-AWEZNQCLSA-N 1 0 248.370 2.187 20 10 BECDRO COc1ccc(O)c(C[N@H+](C)C(C)C)c1 ZINC000132484910 175157216 /nfs/dbraw/zinc/15/72/16/175157216.db2.gz SRXGNZXLFZFFAS-UHFFFAOYSA-N 1 0 209.289 2.241 20 10 BECDRO COc1ccc(O)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000211605161 175157645 /nfs/dbraw/zinc/15/76/45/175157645.db2.gz VPCKCIGYYXIMHN-QWRGUYRKSA-N 1 0 235.327 2.489 20 10 BECDRO COc1ccc(O)c(C[NH2+]Cc2ccncc2)c1 ZINC000020140551 175159019 /nfs/dbraw/zinc/15/90/19/175159019.db2.gz NAQBRQNNHOHJBR-UHFFFAOYSA-N 1 0 244.294 2.086 20 10 BECDRO COc1cccc(C[NH2+]C2CC(C)C2)c1O ZINC000128870495 175262946 /nfs/dbraw/zinc/26/29/46/175262946.db2.gz NOOHKKIHRIDVNL-UHFFFAOYSA-N 1 0 221.300 2.289 20 10 BECDRO COc1cccc(C[NH2+]CC=C(C)C)c1O ZINC000191627531 175262962 /nfs/dbraw/zinc/26/29/62/175262962.db2.gz JAYQJEGBNWNFOW-UHFFFAOYSA-N 1 0 221.300 2.457 20 10 BECDRO COc1cccc(C[NH2+]C2(C)CCC2)c1O ZINC000159997438 175263762 /nfs/dbraw/zinc/26/37/62/175263762.db2.gz VYNYFDRDGAKAMS-UHFFFAOYSA-N 1 0 221.300 2.433 20 10 BECDRO COc1cccc(C[NH2+][C@H](C)C2CC2)c1O ZINC000035733299 175267109 /nfs/dbraw/zinc/26/71/09/175267109.db2.gz INKNTJXBZCCIPM-SECBINFHSA-N 1 0 221.300 2.289 20 10 BECDRO C[C@@H]([NH2+]CCCCO)c1ccc(N(C)C)cc1 ZINC000193282840 175874553 /nfs/dbraw/zinc/87/45/53/175874553.db2.gz UXBROLCPROFRGG-GFCCVEGCSA-N 1 0 236.359 2.176 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCCO1 ZINC000179393458 176305130 /nfs/dbraw/zinc/30/51/30/176305130.db2.gz UWZMHIHWIXPRDL-CYBMUJFWSA-N 1 0 248.370 2.363 20 10 BECDRO C[C@H](O)CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000227959091 176955146 /nfs/dbraw/zinc/95/51/46/176955146.db2.gz JMYLKCVKAYWHDL-LBPRGKRZSA-N 1 0 236.359 2.003 20 10 BECDRO C[C@H]1C[NH+](Cc2ccccc2O)C[C@H](C)O1 ZINC000028221880 177266110 /nfs/dbraw/zinc/26/61/10/177266110.db2.gz CTGGINCBVRTYPW-QWRGUYRKSA-N 1 0 221.300 2.001 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H](C2CC2)O1 ZINC000366245724 177267004 /nfs/dbraw/zinc/26/70/04/177267004.db2.gz CQNMKKYRNFMGCC-XHDPSFHLSA-N 1 0 247.338 2.392 20 10 BECDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277665277 177295299 /nfs/dbraw/zinc/29/52/99/177295299.db2.gz FUIFKUBNSCJLHG-FZMZJTMJSA-N 1 0 247.338 2.136 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CO1 ZINC000217777317 177302127 /nfs/dbraw/zinc/30/21/27/177302127.db2.gz YBIJZSUQEIAVTR-WDEREUQCSA-N 1 0 221.300 2.001 20 10 BECDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000119900992 177407759 /nfs/dbraw/zinc/40/77/59/177407759.db2.gz YSPYIBVGECSNAV-BXUZGUMPSA-N 1 0 234.343 2.020 20 10 BECDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1O ZINC000530219804 324537893 /nfs/dbraw/zinc/53/78/93/324537893.db2.gz MZUIHFKIRQTVQY-BXUZGUMPSA-N 1 0 246.354 2.327 20 10 BECDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccccc1O ZINC000530219809 324538218 /nfs/dbraw/zinc/53/82/18/324538218.db2.gz MZUIHFKIRQTVQY-RISCZKNCSA-N 1 0 246.354 2.327 20 10 BECDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccccc1O ZINC000191012494 517839746 /nfs/dbraw/zinc/83/97/46/517839746.db2.gz NINWNWMXCCTENU-CQSZACIVSA-N 1 0 235.327 2.129 20 10 BECDRO COC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050285819 536551386 /nfs/dbraw/zinc/55/13/86/536551386.db2.gz IUIRVCFMAMLPPK-GFCCVEGCSA-N 1 0 248.370 2.194 20 10 BECDRO CC[C@@H](N[C@@H](C)C[NH2+]C)c1ccc(C)cc1O ZINC000854231352 588781286 /nfs/dbraw/zinc/78/12/86/588781286.db2.gz GHITXXGFHBDPSQ-WCQYABFASA-N 1 0 236.359 2.349 20 10 BECDRO CCc1cccc(C[N@H+](C2CC2)C2COC2)c1O ZINC000848913546 582814996 /nfs/dbraw/zinc/81/49/96/582814996.db2.gz ACNCYBHRECAYCY-UHFFFAOYSA-N 1 0 247.338 2.318 20 10 BECDRO C[C@@H]([NH2+]CC(C)(C)CO)c1ccccc1O ZINC000122010050 582842436 /nfs/dbraw/zinc/84/24/36/582842436.db2.gz JJFGHDHCWADRCG-SNVBAGLBSA-N 1 0 223.316 2.061 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C/C=C/CO)c(O)c1C ZINC000850510266 582923589 /nfs/dbraw/zinc/92/35/89/582923589.db2.gz WYTGRPFFUNKXHL-ITKZLYELSA-N 1 0 235.327 2.208 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@]1(C)CCOC1 ZINC000840937396 583166466 /nfs/dbraw/zinc/16/64/66/583166466.db2.gz SLRIMNVPWIXAPU-HNNXBMFYSA-N 1 0 248.370 2.330 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1O ZINC000857060524 588884569 /nfs/dbraw/zinc/88/45/69/588884569.db2.gz ASTGYYBLIJAXSN-FZMZJTMJSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000877462079 583314375 /nfs/dbraw/zinc/31/43/75/583314375.db2.gz NOBJVSUAZWYRAV-CQSZACIVSA-N 1 0 249.354 2.293 20 10 BECDRO CN(C)c1ccc(/C=C\C[NH2+]C2(C)COC2)cc1 ZINC000877691029 583342571 /nfs/dbraw/zinc/34/25/71/583342571.db2.gz IPHFLMULYOSRAG-PLNGDYQASA-N 1 0 246.354 2.144 20 10 BECDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000841845832 583356170 /nfs/dbraw/zinc/35/61/70/583356170.db2.gz FSXXZTNFRXUXPC-TZMCWYRMSA-N 1 0 247.342 2.115 20 10 BECDRO C[C@@H]1OCC[C@H]1C[N@H+](C)Cc1ccccc1O ZINC000878241896 583368036 /nfs/dbraw/zinc/36/80/36/583368036.db2.gz JPZOQRFSRDSPEO-RYUDHWBXSA-N 1 0 235.327 2.249 20 10 BECDRO COc1ccc(C[NH2+]C[C@H]2CC(C)=NO2)cc1C ZINC000895312534 583648505 /nfs/dbraw/zinc/64/85/05/583648505.db2.gz XKKIUVZCDOIQSR-CYBMUJFWSA-N 1 0 248.326 2.258 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC2CSC2)cc1C ZINC000895421717 583672876 /nfs/dbraw/zinc/67/28/76/583672876.db2.gz VMRBMZPJKRFYKC-UHFFFAOYSA-N 1 0 237.368 2.462 20 10 BECDRO Cc1ccc(C[NH2+]CC2CSC2)c(O)c1 ZINC000895424151 583673947 /nfs/dbraw/zinc/67/39/47/583673947.db2.gz PBSOZUQRDXHZPO-UHFFFAOYSA-N 1 0 223.341 2.153 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c(O)c1 ZINC000895776683 583725766 /nfs/dbraw/zinc/72/57/66/583725766.db2.gz JMHHOAMIHSGSQL-BETUJISGSA-N 1 0 249.379 2.495 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779146 583726352 /nfs/dbraw/zinc/72/63/52/583726352.db2.gz LPARUMOWNHPHRG-TXEJJXNPSA-N 1 0 249.379 2.495 20 10 BECDRO COc1cccc(O)c1C[N@H+](C)CCCF ZINC000895897839 583741099 /nfs/dbraw/zinc/74/10/99/583741099.db2.gz FBDSAAQOCDCJJI-UHFFFAOYSA-N 1 0 227.279 2.192 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896577762 583814839 /nfs/dbraw/zinc/81/48/39/583814839.db2.gz OMPUCGOYVQYPAL-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCN2C)cc1C ZINC000858235765 588939835 /nfs/dbraw/zinc/93/98/35/588939835.db2.gz QREZKRGPOLLIEP-CQSZACIVSA-N 1 0 248.370 2.193 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(CO)o2)c1 ZINC000858238076 588940019 /nfs/dbraw/zinc/94/00/19/588940019.db2.gz TYWMNTXHZVTUKW-UHFFFAOYSA-N 1 0 247.294 2.076 20 10 BECDRO COc1ccc(C[NH2+]C2CC(CCO)C2)cc1C ZINC000898007666 584070708 /nfs/dbraw/zinc/07/07/08/584070708.db2.gz IMPCAIHJPXUQRH-UHFFFAOYSA-N 1 0 249.354 2.254 20 10 BECDRO COc1ccc(C[NH2+]CC[C@@H](O)C2CC2)cc1C ZINC000898206044 584091470 /nfs/dbraw/zinc/09/14/70/584091470.db2.gz KJXQNFIBUZTQNK-CQSZACIVSA-N 1 0 249.354 2.254 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898380559 584115118 /nfs/dbraw/zinc/11/51/18/584115118.db2.gz QOBOYNLLLWCCGU-KBPBESRZSA-N 1 0 247.338 2.215 20 10 BECDRO CC(C)C[C@@H]([NH3+])CNc1ccc(N)cc1 ZINC000841040772 584116652 /nfs/dbraw/zinc/11/66/52/584116652.db2.gz SIYNLOORDYJLAT-LLVKDONJSA-N 1 0 207.321 2.054 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c(O)c1C ZINC000858543062 588964180 /nfs/dbraw/zinc/96/41/80/588964180.db2.gz DQRSTXFVAHNYIC-UPJWGTAASA-N 1 0 249.354 2.431 20 10 BECDRO CC[C@H]([NH2+]CC1COC1)c1ccc(N(C)C)cc1 ZINC000858550663 588964677 /nfs/dbraw/zinc/96/46/77/588964677.db2.gz RLLQKGQMBYNMPY-HNNXBMFYSA-N 1 0 248.370 2.440 20 10 BECDRO Cc1ccc(O)c([C@@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902476002 584602521 /nfs/dbraw/zinc/60/25/21/584602521.db2.gz LKXNWKAAVWPCTJ-MHDGFBEUSA-N 1 0 246.354 2.244 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902450168 584606467 /nfs/dbraw/zinc/60/64/67/584606467.db2.gz RNSCMQYJTGFBDF-SMDDNHRTSA-N 1 0 248.370 2.349 20 10 BECDRO CC[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C)cc1O ZINC000903315916 584749422 /nfs/dbraw/zinc/74/94/22/584749422.db2.gz AFCAURFNBPZJND-JSGCOSHPSA-N 1 0 248.370 2.445 20 10 BECDRO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccccc1O ZINC000903409492 584759617 /nfs/dbraw/zinc/75/96/17/584759617.db2.gz XTMJCGWVEKHXEU-GXFFZTMASA-N 1 0 235.327 2.204 20 10 BECDRO C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccccc1O ZINC000903438802 584762490 /nfs/dbraw/zinc/76/24/90/584762490.db2.gz XFVABJJJKDFEOU-BPNCWPANSA-N 1 0 247.338 2.468 20 10 BECDRO CCOc1ccc(N(C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903439943 584763392 /nfs/dbraw/zinc/76/33/92/584763392.db2.gz QYGHDYWWYWGSMR-OLZOCXBDSA-N 1 0 248.370 2.377 20 10 BECDRO Cc1cc(O)c(CN2C[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000903986559 584835443 /nfs/dbraw/zinc/83/54/43/584835443.db2.gz MBEQSWRHWNRPJC-CQSZACIVSA-N 1 0 248.370 2.178 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c(O)c1 ZINC000877062960 584889416 /nfs/dbraw/zinc/88/94/16/584889416.db2.gz AAEHSJWPLHXJJM-AAEUAGOBSA-N 1 0 235.327 2.215 20 10 BECDRO CC[C@H]([NH2+]CCNC1CC1)c1ccccc1O ZINC000817952326 584991279 /nfs/dbraw/zinc/99/12/79/584991279.db2.gz DPZYGRWXEPPVLO-ZDUSSCGKSA-N 1 0 234.343 2.185 20 10 BECDRO CCC[NH2+]CCN[C@@H](C)c1cc(C)ccc1O ZINC000817962763 584992713 /nfs/dbraw/zinc/99/27/13/584992713.db2.gz OQJCCSLUPLETKG-LBPRGKRZSA-N 1 0 236.359 2.351 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(F)cc1[O-] ZINC000817977894 584994125 /nfs/dbraw/zinc/99/41/25/584994125.db2.gz RFHUPUJQQFPMGX-VHSXEESVSA-N 1 0 240.322 2.309 20 10 BECDRO Cc1cc(O)c(C[NH+]2CC(O)(C(C)C)C2)cc1C ZINC000839132220 585093921 /nfs/dbraw/zinc/09/39/21/585093921.db2.gz DUTNUWZIMJDIHL-UHFFFAOYSA-N 1 0 249.354 2.212 20 10 BECDRO COc1cccc(C[NH+]2CC(C(F)F)C2)c1O ZINC000839141457 585094263 /nfs/dbraw/zinc/09/42/63/585094263.db2.gz PRVPQUQTSKDMAQ-UHFFFAOYSA-N 1 0 243.253 2.098 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839190817 585097426 /nfs/dbraw/zinc/09/74/26/585097426.db2.gz DANSSWYOGSXRGF-KBPBESRZSA-N 1 0 248.395 2.442 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839190772 585097583 /nfs/dbraw/zinc/09/75/83/585097583.db2.gz AUMGIFFHMXHIES-QWRGUYRKSA-N 1 0 239.315 2.221 20 10 BECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000839190881 585097622 /nfs/dbraw/zinc/09/76/22/585097622.db2.gz BMJGVBQLCGFALL-CABCVRRESA-N 1 0 248.370 2.410 20 10 BECDRO COc1ccc(C[NH2+]Cc2cccn2C)c(O)c1 ZINC000743498236 585137619 /nfs/dbraw/zinc/13/76/19/585137619.db2.gz NCNJBFJJEQWZNW-UHFFFAOYSA-N 1 0 246.310 2.029 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC2)c(O)c1C ZINC000756769821 585322861 /nfs/dbraw/zinc/32/28/61/585322861.db2.gz QYFFECQQWGJNQT-NWDGAFQWSA-N 1 0 235.327 2.449 20 10 BECDRO COCC1([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000756849834 585324284 /nfs/dbraw/zinc/32/42/84/585324284.db2.gz FYOLZZXIXFJGQZ-SECBINFHSA-N 1 0 239.290 2.361 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CN)c1O ZINC000843052401 585333145 /nfs/dbraw/zinc/33/31/45/585333145.db2.gz SOEKPJDVWZKLTO-SMDDNHRTSA-N 1 0 248.370 2.260 20 10 BECDRO CN(CC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761220580 585412498 /nfs/dbraw/zinc/41/24/98/585412498.db2.gz GZVSTKSJRLAZHT-UHFFFAOYSA-N 1 0 248.370 2.473 20 10 BECDRO COC1CC([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000769515775 585558345 /nfs/dbraw/zinc/55/83/45/585558345.db2.gz DRSLXFYZQPUQKK-UHFFFAOYSA-N 1 0 248.370 2.328 20 10 BECDRO CCN(C)c1ccc(C[N@H+](CCO)C2CC2)cc1 ZINC000773731264 585642836 /nfs/dbraw/zinc/64/28/36/585642836.db2.gz SWTYHZNUQBWFKT-UHFFFAOYSA-N 1 0 248.370 2.099 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000773749342 585643309 /nfs/dbraw/zinc/64/33/09/585643309.db2.gz TUBOEBPYTCJRBF-OAHLLOKOSA-N 1 0 248.370 2.099 20 10 BECDRO CC(C)[C@H]1CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000775763251 585684305 /nfs/dbraw/zinc/68/43/05/585684305.db2.gz FKBLJHNMDDUWNT-LLVKDONJSA-N 1 0 249.310 2.351 20 10 BECDRO CC[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000775786843 585684956 /nfs/dbraw/zinc/68/49/56/585684956.db2.gz XGSGAOWGLGFAIS-VIFPVBQESA-N 1 0 239.315 2.298 20 10 BECDRO COc1cc(O)c(C[NH2+]C2CC=CC2)cc1OC ZINC000776250030 585693846 /nfs/dbraw/zinc/69/38/46/585693846.db2.gz CWQLCSCJAPBXDF-UHFFFAOYSA-N 1 0 249.310 2.218 20 10 BECDRO CCN1C[C@@H](C)[N@H+](Cc2ccccc2O)C[C@H]1C ZINC000779017776 585743936 /nfs/dbraw/zinc/74/39/36/585743936.db2.gz BPIOVKMFFPRZPP-CHWSQXEVSA-N 1 0 248.370 2.307 20 10 BECDRO Oc1ccc(F)cc1C[N@H+]1CC=CCC1 ZINC000779159371 585746330 /nfs/dbraw/zinc/74/63/30/585746330.db2.gz GWNZNIGPLJNNKN-UHFFFAOYSA-N 1 0 207.248 2.293 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CCO)cc1C ZINC000779202627 585747219 /nfs/dbraw/zinc/74/72/19/585747219.db2.gz QSPQVSKHMGSATJ-CQSZACIVSA-N 1 0 249.354 2.356 20 10 BECDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccccc1O ZINC000783502935 585835822 /nfs/dbraw/zinc/83/58/22/585835822.db2.gz BWLUHIMXXXHFFW-BXUZGUMPSA-N 1 0 248.370 2.383 20 10 BECDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccccc1O ZINC000783502937 585835855 /nfs/dbraw/zinc/83/58/55/585835855.db2.gz BWLUHIMXXXHFFW-FZMZJTMJSA-N 1 0 248.370 2.383 20 10 BECDRO Cc1cccc(C[N@@H+]2CCOCC3(CC3)C2)c1O ZINC000783599517 585837857 /nfs/dbraw/zinc/83/78/57/585837857.db2.gz QWDBWVOXYWMMTR-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000785988376 585884666 /nfs/dbraw/zinc/88/46/66/585884666.db2.gz MPBMLPUDKQYWMZ-BZPMIXESSA-N 1 0 249.354 2.374 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]2(C)CO)c1 ZINC000789557069 585944008 /nfs/dbraw/zinc/94/40/08/585944008.db2.gz FUQQNKSCIFFMBT-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO COc1cccc(O)c1C[NH+]1CC(C(C)C)C1 ZINC000793190600 586013777 /nfs/dbraw/zinc/01/37/77/586013777.db2.gz UPUBVSRFDWCCTE-UHFFFAOYSA-N 1 0 235.327 2.489 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2ncccc2O)c1 ZINC000793255258 586015344 /nfs/dbraw/zinc/01/53/44/586015344.db2.gz FLPQGOCHQAMIQA-UHFFFAOYSA-N 1 0 244.294 2.091 20 10 BECDRO CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C)cc1O ZINC000794804383 586049364 /nfs/dbraw/zinc/04/93/64/586049364.db2.gz DSKJCWZTQDQCQF-GXTWGEPZSA-N 1 0 248.370 2.445 20 10 BECDRO CO[C@@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000795750566 586091707 /nfs/dbraw/zinc/09/17/07/586091707.db2.gz LILZXQUPCHYHBT-LBPRGKRZSA-N 1 0 237.343 2.476 20 10 BECDRO CC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000802651680 586307768 /nfs/dbraw/zinc/30/77/68/586307768.db2.gz WVOSAKAQEJGWGG-UHFFFAOYSA-N 1 0 204.317 2.204 20 10 BECDRO CC1C[NH+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000802650873 586308094 /nfs/dbraw/zinc/30/80/94/586308094.db2.gz CTKNQIPWWMQSKV-UHFFFAOYSA-N 1 0 222.307 2.343 20 10 BECDRO COC[C@H]1CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000840082862 586423420 /nfs/dbraw/zinc/42/34/20/586423420.db2.gz KPCLNQHUTUQWGT-CQSZACIVSA-N 1 0 247.338 2.102 20 10 BECDRO COc1cccc(C[NH+]2CC(C3CC3)C2)c1O ZINC000812775057 586583476 /nfs/dbraw/zinc/58/34/76/586583476.db2.gz DSNWHAQQZHPKLW-UHFFFAOYSA-N 1 0 233.311 2.243 20 10 BECDRO Oc1ccccc1C[NH+]1CC(C2CC2)C1 ZINC000812775143 586583981 /nfs/dbraw/zinc/58/39/81/586583981.db2.gz HHIYFMAOVPJORG-UHFFFAOYSA-N 1 0 203.285 2.234 20 10 BECDRO Cc1cc(C[N@H+](CCO)C2CC2)ccc1N(C)C ZINC000815017673 586664706 /nfs/dbraw/zinc/66/47/06/586664706.db2.gz SAXXRRUYUGVQBK-UHFFFAOYSA-N 1 0 248.370 2.018 20 10 BECDRO Oc1c(C[NH2+][C@H]2CCOC2)ccc2ccccc21 ZINC000816558320 586740562 /nfs/dbraw/zinc/74/05/62/586740562.db2.gz UPGAWIWWISDNQV-ZDUSSCGKSA-N 1 0 243.306 2.424 20 10 BECDRO C[C@H](O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816591427 586742923 /nfs/dbraw/zinc/74/29/23/586742923.db2.gz DUMUXAFNPADOKR-NSHDSACASA-N 1 0 245.322 2.406 20 10 BECDRO C[N@H+](CCF)Cc1cc(Cl)ccc1O ZINC000816640588 586748195 /nfs/dbraw/zinc/74/81/95/586748195.db2.gz OUNUYFLCUJPNPN-UHFFFAOYSA-N 1 0 217.671 2.447 20 10 BECDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000816660379 586753367 /nfs/dbraw/zinc/75/33/67/586753367.db2.gz BHPHNKSMRIIOKQ-CQSZACIVSA-N 1 0 248.370 2.227 20 10 BECDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[NH3+] ZINC000817879835 586832440 /nfs/dbraw/zinc/83/24/40/586832440.db2.gz HAISMWYHRRQJLN-CYBMUJFWSA-N 1 0 248.370 2.289 20 10 BECDRO Cc1ccc([C@@H](C)N[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000817942424 586844945 /nfs/dbraw/zinc/84/49/45/586844945.db2.gz YMAGPWCEAFAIKJ-NEPJUHHUSA-N 1 0 234.343 2.103 20 10 BECDRO CC[NH2+]CCN[C@@H](CC)c1ccc(F)cc1O ZINC000817951624 586848038 /nfs/dbraw/zinc/84/80/38/586848038.db2.gz HSIIAZGBWWJETB-LBPRGKRZSA-N 1 0 240.322 2.182 20 10 BECDRO CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cc1[O-] ZINC000817951351 586848045 /nfs/dbraw/zinc/84/80/45/586848045.db2.gz DHALVKIETJFKDI-JOYOIKCWSA-N 1 0 240.322 2.309 20 10 BECDRO Cc1ccc([C@H](C)NC[C@H]2CCC[NH2+]2)c(O)c1 ZINC000817951449 586848131 /nfs/dbraw/zinc/84/81/31/586848131.db2.gz FVMJWSVXOIDAEW-NWDGAFQWSA-N 1 0 234.343 2.103 20 10 BECDRO CC[NH2+]CCN[C@H](C)c1c(C)cc(C)cc1O ZINC000817951962 586848181 /nfs/dbraw/zinc/84/81/81/586848181.db2.gz MACLHASOAADBBG-GFCCVEGCSA-N 1 0 236.359 2.269 20 10 BECDRO CC[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000817952857 586848499 /nfs/dbraw/zinc/84/84/99/586848499.db2.gz VNXDVQMYBBDVJJ-WCQYABFASA-N 1 0 234.343 2.185 20 10 BECDRO CC[C@H](NC[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000817952858 586848698 /nfs/dbraw/zinc/84/86/98/586848698.db2.gz VNXDVQMYBBDVJJ-YPMHNXCESA-N 1 0 234.343 2.185 20 10 BECDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCOC1 ZINC000817955879 586850207 /nfs/dbraw/zinc/85/02/07/586850207.db2.gz KCWNNAONAVAQKQ-DZGCQCFKSA-N 1 0 248.370 2.216 20 10 BECDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCCOC1 ZINC000817957086 586850493 /nfs/dbraw/zinc/85/04/93/586850493.db2.gz ILQJPQFDPYTZOL-TZMCWYRMSA-N 1 0 248.370 2.216 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN)c(O)c1C ZINC000817970439 586857179 /nfs/dbraw/zinc/85/71/79/586857179.db2.gz VGXMRLZTHDXYFS-GXSJLCMTSA-N 1 0 222.332 2.007 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(Cl)cc1O ZINC000818362237 586889384 /nfs/dbraw/zinc/88/93/84/586889384.db2.gz SFVPVKIMUQBYDY-WCBMZHEXSA-N 1 0 241.718 2.485 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000824571911 587277262 /nfs/dbraw/zinc/27/72/62/587277262.db2.gz QVBIXBFWMIMYAI-LBPRGKRZSA-N 1 0 222.307 2.296 20 10 BECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000824572272 587277268 /nfs/dbraw/zinc/27/72/68/587277268.db2.gz XHJBVFURMIBPSZ-LLVKDONJSA-N 1 0 239.290 2.335 20 10 BECDRO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@H](C)O ZINC000824922269 587293727 /nfs/dbraw/zinc/29/37/27/587293727.db2.gz ZGMFHPBBSIRNHA-WCQYABFASA-N 1 0 237.343 2.258 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCC2(CO)CC2)cc1C ZINC000825041048 587300002 /nfs/dbraw/zinc/30/00/02/587300002.db2.gz ZTZRXNCLJASICX-UHFFFAOYSA-N 1 0 249.354 2.261 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1C ZINC000825316975 587314778 /nfs/dbraw/zinc/31/47/78/587314778.db2.gz ZSRLINQOKOZRFC-YGRLFVJLSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC[C@@H](C)O)cc1Cl ZINC000825341788 587315731 /nfs/dbraw/zinc/31/57/31/587315731.db2.gz RZQVBHAXVDENKM-SECBINFHSA-N 1 0 243.734 2.215 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)C[C@@H](C)O)cc1Cl ZINC000825500458 587322057 /nfs/dbraw/zinc/32/20/57/587322057.db2.gz CAHCQYLPMXHOCR-SECBINFHSA-N 1 0 243.734 2.167 20 10 BECDRO C[C@]1(C2CC2)C[N@H+](Cc2ccccc2O)CCO1 ZINC000826877173 587364711 /nfs/dbraw/zinc/36/47/11/587364711.db2.gz BSQXHQSVYKUDIR-OAHLLOKOSA-N 1 0 247.338 2.393 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1O ZINC000827365120 587378485 /nfs/dbraw/zinc/37/84/85/587378485.db2.gz KAJITAOHSMJPOD-STQMWFEESA-N 1 0 247.338 2.094 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1O ZINC000827365117 587378500 /nfs/dbraw/zinc/37/85/00/587378500.db2.gz KAJITAOHSMJPOD-OLZOCXBDSA-N 1 0 247.338 2.094 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000827489660 587382566 /nfs/dbraw/zinc/38/25/66/587382566.db2.gz TZRBGPKTTDRFOH-DABQJJPHSA-N 1 0 233.311 2.289 20 10 BECDRO COc1ccc(C[NH2+]C2([C@H](C)O)CC2)cc1C ZINC000827579929 587390036 /nfs/dbraw/zinc/39/00/36/587390036.db2.gz LTYFMOMXGJZFPT-NSHDSACASA-N 1 0 235.327 2.007 20 10 BECDRO C[C@@H](O)C1([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000827579759 587390126 /nfs/dbraw/zinc/39/01/26/587390126.db2.gz JPXFCAMNNXOLLQ-MRVPVSSYSA-N 1 0 241.718 2.049 20 10 BECDRO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H]2C)ccc1N(C)C ZINC000832225014 587651576 /nfs/dbraw/zinc/65/15/76/587651576.db2.gz IVQAFVCYNHGUJA-IUODEOHRSA-N 1 0 248.370 2.016 20 10 BECDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244840 587652175 /nfs/dbraw/zinc/65/21/75/587652175.db2.gz ZTOFDGMQZCZEMU-ZDUSSCGKSA-N 1 0 247.342 2.082 20 10 BECDRO OCC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000834669394 587763602 /nfs/dbraw/zinc/76/36/02/587763602.db2.gz XLXVZEFNGIMUPR-QWHCGFSZSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@@H](O)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039909 587779391 /nfs/dbraw/zinc/77/93/91/587779391.db2.gz MJPIFZWOKXTTSQ-MUBLQREKSA-N 1 0 248.370 2.126 20 10 BECDRO CN(C)c1ccc(/C=C/C[NH2+]CCF)cc1 ZINC000835050933 587779703 /nfs/dbraw/zinc/77/97/03/587779703.db2.gz GNXHKVNQHDEWEW-ONEGZZNKSA-N 1 0 222.307 2.325 20 10 BECDRO CO[C@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835049995 587779788 /nfs/dbraw/zinc/77/97/88/587779788.db2.gz LGDBHXVFWMKOND-CFHLNLSMSA-N 1 0 248.370 2.390 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H](C)CCO)c(Cl)c1 ZINC000840899496 587928510 /nfs/dbraw/zinc/92/85/10/587928510.db2.gz NULBQFLPURRGCR-SECBINFHSA-N 1 0 243.734 2.215 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@H+](CCO)C1CC1 ZINC000840909807 587929206 /nfs/dbraw/zinc/92/92/06/587929206.db2.gz HYGUFIVFRDKBIB-UHFFFAOYSA-N 1 0 248.370 2.018 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1CO ZINC000840909696 587929582 /nfs/dbraw/zinc/92/95/82/587929582.db2.gz KWLPEQRHNFCODZ-OAHLLOKOSA-N 1 0 248.370 2.018 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000840927786 587930183 /nfs/dbraw/zinc/93/01/83/587930183.db2.gz CPYNVXCDLYYIDT-OAHLLOKOSA-N 1 0 248.370 2.330 20 10 BECDRO CO[C@@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840939367 587930687 /nfs/dbraw/zinc/93/06/87/587930687.db2.gz NGOXQODFXGIAMD-VIFPVBQESA-N 1 0 243.734 2.479 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000840942349 587931134 /nfs/dbraw/zinc/93/11/34/587931134.db2.gz ZPUHVCIXAUDNHX-SWLSCSKDSA-N 1 0 248.370 2.016 20 10 BECDRO CN(C)c1ccc(/C=C\CNCC(C)(C)[NH3+])cc1 ZINC000841031747 587937283 /nfs/dbraw/zinc/93/72/83/587937283.db2.gz ZZLQHGQMQIVXTO-WAYWQWQTSA-N 1 0 247.386 2.093 20 10 BECDRO CC(C)C[C@H](C[NH3+])NCc1ccc2c(c1)CCO2 ZINC000841038604 587937872 /nfs/dbraw/zinc/93/78/72/587937872.db2.gz LRLIDVAGPQRLST-CQSZACIVSA-N 1 0 248.370 2.085 20 10 BECDRO Nc1ccc(CC[NH2+][C@H]2CCCSC2)cc1 ZINC000841037243 587937970 /nfs/dbraw/zinc/93/79/70/587937970.db2.gz ZJBHDCQQFIVJGX-ZDUSSCGKSA-N 1 0 236.384 2.297 20 10 BECDRO CC(C)C[C@@H](CN)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841039069 587938480 /nfs/dbraw/zinc/93/84/80/587938480.db2.gz ZFEZPMZYSBYMNA-AWEZNQCLSA-N 1 0 249.402 2.216 20 10 BECDRO CN(C)c1ccc([C@@H](N)C[NH2+]CC(C)(C)C)cc1 ZINC000841044905 587939050 /nfs/dbraw/zinc/93/90/50/587939050.db2.gz ZTEWLHQJBGHLAS-AWEZNQCLSA-N 1 0 249.402 2.388 20 10 BECDRO CC[C@@H](C)C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046012 587939496 /nfs/dbraw/zinc/93/94/96/587939496.db2.gz UKQHTTCJVPAVFB-IUODEOHRSA-N 1 0 249.402 2.388 20 10 BECDRO CC[NH2+][C@H](C)CNCc1c(O)cccc1Cl ZINC000841066497 587942789 /nfs/dbraw/zinc/94/27/89/587942789.db2.gz UEXUIFVPAAIUJN-SECBINFHSA-N 1 0 242.750 2.133 20 10 BECDRO C[C@H]([NH3+])[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000841076603 587944001 /nfs/dbraw/zinc/94/40/01/587944001.db2.gz JXNPWTDXUHDEGY-AAAGKOELSA-N 1 0 247.386 2.091 20 10 BECDRO COc1ccc(CN[C@@H]2CC[NH2+]C2(C)C)cc1C ZINC000841087302 587945905 /nfs/dbraw/zinc/94/59/05/587945905.db2.gz UGBRJUDKKVRBAB-CQSZACIVSA-N 1 0 248.370 2.234 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCc2cscn2)c1 ZINC000104447537 587972779 /nfs/dbraw/zinc/97/27/79/587972779.db2.gz YJCSZQVFXLAJPJ-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000841752571 587973927 /nfs/dbraw/zinc/97/39/27/587973927.db2.gz BNPVMFZVTHOOED-UJNFCWOMSA-N 1 0 241.718 2.220 20 10 BECDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(F)ccc1O ZINC000841760089 587974197 /nfs/dbraw/zinc/97/41/97/587974197.db2.gz SUJJVKIQQUUOAZ-JQEORGNBSA-N 1 0 239.290 2.095 20 10 BECDRO C[C@H]([NH2+]CCN(C)C)c1ccc(Cl)cc1O ZINC000841757632 587974374 /nfs/dbraw/zinc/97/43/74/587974374.db2.gz NZPLPVUNUFNGCQ-VIFPVBQESA-N 1 0 242.750 2.258 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC000841758494 587974386 /nfs/dbraw/zinc/97/43/86/587974386.db2.gz ICYKGWVSSKRBOO-COPLHBTASA-N 1 0 235.327 2.265 20 10 BECDRO CCCC[C@](C)(CO)[NH2+]Cc1ccccc1O ZINC000842746605 588058770 /nfs/dbraw/zinc/05/87/70/588058770.db2.gz MOIGJROOMJTLCD-CQSZACIVSA-N 1 0 237.343 2.423 20 10 BECDRO CCCN(Cc1cccc(C)c1O)[C@H]1CC[NH2+]C1 ZINC000843051685 588076731 /nfs/dbraw/zinc/07/67/31/588076731.db2.gz CAVZXMYKNUPOKD-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cc(O)c(CN2CC[NH2+][C@@H](C)[C@H]2C)cc1C ZINC000843057496 588077442 /nfs/dbraw/zinc/07/74/42/588077442.db2.gz ILMUHFIUCMHQIZ-QWHCGFSZSA-N 1 0 248.370 2.191 20 10 BECDRO Cc1ccc(O)c(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000843055757 588077596 /nfs/dbraw/zinc/07/75/96/588077596.db2.gz OQUKXUNLHVDXPP-CQSZACIVSA-N 1 0 246.354 2.027 20 10 BECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC1(F)CC1 ZINC000843057307 588078160 /nfs/dbraw/zinc/07/81/60/588078160.db2.gz AWXFUQBCUKTTLU-UHFFFAOYSA-N 1 0 234.318 2.400 20 10 BECDRO COc1ccc2c(c1)CCCN2CC(C)(C)[NH3+] ZINC000843069564 588079293 /nfs/dbraw/zinc/07/92/93/588079293.db2.gz ROZXSSRMUHVWHO-UHFFFAOYSA-N 1 0 234.343 2.185 20 10 BECDRO Nc1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000843125747 588084648 /nfs/dbraw/zinc/08/46/48/588084648.db2.gz HBXSRNTUQAPPCN-JTNHKYCSSA-N 1 0 231.343 2.069 20 10 BECDRO C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000843130175 588085541 /nfs/dbraw/zinc/08/55/41/588085541.db2.gz ZIAVTEJIBDNILE-RKDXNWHRSA-N 1 0 242.750 2.261 20 10 BECDRO CCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846139228 588258308 /nfs/dbraw/zinc/25/83/08/588258308.db2.gz XVOMKMSOVNKMGQ-SECBINFHSA-N 1 0 209.289 2.461 20 10 BECDRO COC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846137893 588258463 /nfs/dbraw/zinc/25/84/63/588258463.db2.gz NRMMQKHOLVPCTD-NXEZZACHSA-N 1 0 239.315 2.086 20 10 BECDRO CCOCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846141362 588258539 /nfs/dbraw/zinc/25/85/39/588258539.db2.gz NVAJXHCOTIWXKU-SNVBAGLBSA-N 1 0 239.315 2.088 20 10 BECDRO CCc1cccc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)c1O ZINC000848891466 588417781 /nfs/dbraw/zinc/41/77/81/588417781.db2.gz YPFYFBSFSRJPNR-OCCSQVGLSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@H+](C)CC2(O)CCC2)c1O ZINC000848902191 588418345 /nfs/dbraw/zinc/41/83/45/588418345.db2.gz ATINSVLOUHDPLK-UHFFFAOYSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](C)OC)c1O ZINC000848904912 588418415 /nfs/dbraw/zinc/41/84/15/588418415.db2.gz DHBDDJUVNGMVKH-QWRGUYRKSA-N 1 0 237.343 2.468 20 10 BECDRO Cc1cccc(C[N@@H+](C[C@@H](C)O)C2CC2)c1O ZINC000848929090 588421748 /nfs/dbraw/zinc/42/17/48/588421748.db2.gz SSAUGUZOBVMQQE-LLVKDONJSA-N 1 0 235.327 2.046 20 10 BECDRO COc1cccc(O)c1C[NH2+][C@@H]1C=CCC1 ZINC000850358205 588538999 /nfs/dbraw/zinc/53/89/99/588538999.db2.gz KGHHVMJBEVKJQR-SNVBAGLBSA-N 1 0 219.284 2.209 20 10 BECDRO COc1cccc(O)c1C[NH2+][C@H]1C=CCC1 ZINC000850358204 588539214 /nfs/dbraw/zinc/53/92/14/588539214.db2.gz KGHHVMJBEVKJQR-JTQLQIEISA-N 1 0 219.284 2.209 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C2(CO)CC2)cc1C ZINC000850360557 588540450 /nfs/dbraw/zinc/54/04/50/588540450.db2.gz GGAQOLWUNNDMBY-LBPRGKRZSA-N 1 0 249.354 2.260 20 10 BECDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Cl)ccc1O ZINC000850577869 588561768 /nfs/dbraw/zinc/56/17/68/588561768.db2.gz DUXIOKNSDLRWAR-HGNGGELXSA-N 1 0 241.718 2.220 20 10 BECDRO CCc1cccc(C[N@H+](C)CC2(C)COC2)c1O ZINC000862479138 589216995 /nfs/dbraw/zinc/21/69/95/589216995.db2.gz DMVZMOZFQPHQGU-UHFFFAOYSA-N 1 0 249.354 2.423 20 10 BECDRO Oc1c(C[NH2+]CC2COC2)ccc2ccccc21 ZINC000862532321 589218169 /nfs/dbraw/zinc/21/81/69/589218169.db2.gz WYNCXEFHTJGLMY-UHFFFAOYSA-N 1 0 243.306 2.281 20 10 BECDRO Cc1cc(O)c(CN[C@@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000863484172 589293428 /nfs/dbraw/zinc/29/34/28/589293428.db2.gz HPZDHJOGURHQET-GXTWGEPZSA-N 1 0 248.370 2.239 20 10 BECDRO CCN(CC[NH3+])Cc1c(O)cc(C)cc1Cl ZINC000863644511 589306930 /nfs/dbraw/zinc/30/69/30/589306930.db2.gz YSBHCCQBENCHSI-UHFFFAOYSA-N 1 0 242.750 2.135 20 10 BECDRO C[C@H]([NH3+])CN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000863651175 589307092 /nfs/dbraw/zinc/30/70/92/589307092.db2.gz CJMOJLQJUJFVRY-GFUIURDCSA-N 1 0 247.386 2.045 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c(O)c1C ZINC000866415655 589491592 /nfs/dbraw/zinc/49/15/92/589491592.db2.gz BBOYVTAVFCXREJ-UPJWGTAASA-N 1 0 249.354 2.431 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)CO)c1 ZINC000122055092 589551840 /nfs/dbraw/zinc/55/18/40/589551840.db2.gz GNZJCMTUBURPAQ-NSHDSACASA-N 1 0 237.343 2.370 20 10 BECDRO CC[C@@H]([NH2+]CC1(CO)CC1)c1ccccc1O ZINC000122342496 589582091 /nfs/dbraw/zinc/58/20/91/589582091.db2.gz SFHHPBHOKUNAIW-GFCCVEGCSA-N 1 0 235.327 2.205 20 10 BECDRO Cc1nccn1CCC[NH2+]Cc1ccccc1O ZINC000207756389 589597474 /nfs/dbraw/zinc/59/74/74/589597474.db2.gz GLOGPRJLAOQDEU-UHFFFAOYSA-N 1 0 245.326 2.077 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c(O)c1 ZINC000872127123 589876619 /nfs/dbraw/zinc/87/66/19/589876619.db2.gz PEJBZKNHSCQFEX-JHJVBQTASA-N 1 0 249.354 2.431 20 10 BECDRO Cc1cccc(CN[C@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230654 590003330 /nfs/dbraw/zinc/00/33/30/590003330.db2.gz VNTQVJMAZRXZFD-HIFRSBDPSA-N 1 0 246.354 2.075 20 10 BECDRO CC[C@H]([NH2+][C@H](C)COC)c1ccccc1O ZINC000019904911 590041052 /nfs/dbraw/zinc/04/10/52/590041052.db2.gz IBSWDDRGFXXXIS-PWSUYJOCSA-N 1 0 223.316 2.468 20 10 BECDRO CC[C@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC000124554391 590050036 /nfs/dbraw/zinc/05/00/36/590050036.db2.gz KTAXFMYLYCOFLV-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000124741409 590080320 /nfs/dbraw/zinc/08/03/20/590080320.db2.gz VYYSOTDULURGNW-CHWSQXEVSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(C[NH2+]C[C@]2(C)CCCO2)c1O ZINC000124857333 590094781 /nfs/dbraw/zinc/09/47/81/590094781.db2.gz GSOXQOKUCRWUAO-AWEZNQCLSA-N 1 0 235.327 2.359 20 10 BECDRO CC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876560736 590215768 /nfs/dbraw/zinc/21/57/68/590215768.db2.gz KSNQLPYOBLBMKW-UHFFFAOYSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1ccc(C[N@@H+]2CCOC(C)(C)C2)c(O)c1 ZINC000876612908 590222020 /nfs/dbraw/zinc/22/20/20/590222020.db2.gz AZPSQJWZAXFQJZ-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H](N(C)C)C1 ZINC000876678048 590229642 /nfs/dbraw/zinc/22/96/42/590229642.db2.gz ALELWFDVRFPPAB-ZDUSSCGKSA-N 1 0 248.370 2.227 20 10 BECDRO COC[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876725753 590233605 /nfs/dbraw/zinc/23/36/05/590233605.db2.gz PHQPZVLCWJPQDH-LBPRGKRZSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)CC1(O)CCCC1 ZINC000876747312 590236882 /nfs/dbraw/zinc/23/68/82/590236882.db2.gz AFPDWGBXUAMPCQ-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(C[N@H+]2CCCOC[C@H]2C)c(O)c1 ZINC000876752565 590238198 /nfs/dbraw/zinc/23/81/98/590238198.db2.gz TUTQRAOXCNKTIG-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO CCN1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876889331 590254537 /nfs/dbraw/zinc/25/45/37/590254537.db2.gz KJCSRBMSCNHLPG-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccco1 ZINC000876918145 590257105 /nfs/dbraw/zinc/25/71/05/590257105.db2.gz ZCPAJXLUGPKWMA-CYBMUJFWSA-N 1 0 247.294 2.117 20 10 BECDRO Cc1ccc(C[NH2+]CCc2cccnc2)c(O)c1 ZINC000876922778 590257491 /nfs/dbraw/zinc/25/74/91/590257491.db2.gz KWGSCFUUWNANLP-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1ccc(C[NH2+]CC[C@H]2CCCO2)c(O)c1 ZINC000876924540 590257826 /nfs/dbraw/zinc/25/78/26/590257826.db2.gz SHNVMDBAVQEHDP-CYBMUJFWSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1C[C@H]1C ZINC000876931198 590258280 /nfs/dbraw/zinc/25/82/80/590258280.db2.gz LCDOOYXYWSMZCH-MNOVXSKESA-N 1 0 205.301 2.446 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000876931199 590258415 /nfs/dbraw/zinc/25/84/15/590258415.db2.gz LCDOOYXYWSMZCH-QWRGUYRKSA-N 1 0 205.301 2.446 20 10 BECDRO COC[C@@H](C)C[NH2+]Cc1c(C)cccc1O ZINC000876987531 590265238 /nfs/dbraw/zinc/26/52/38/590265238.db2.gz ZVTCPWZDBSHDKP-JTQLQIEISA-N 1 0 223.316 2.073 20 10 BECDRO CCC(O)(CC)C[NH2+]Cc1c(C)cccc1O ZINC000876989516 590265880 /nfs/dbraw/zinc/26/58/80/590265880.db2.gz WNWYFDMYPMVVNU-UHFFFAOYSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000877024063 590270526 /nfs/dbraw/zinc/27/05/26/590270526.db2.gz PKBKUOKKMDAFFP-GFCCVEGCSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(C)CCOC1 ZINC000877039123 590272930 /nfs/dbraw/zinc/27/29/30/590272930.db2.gz HSPMFYCCDOIZLY-CQSZACIVSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@](C)(O)C(C)C ZINC000877044448 590274007 /nfs/dbraw/zinc/27/40/07/590274007.db2.gz WZJGOGBOCJABLR-CQSZACIVSA-N 1 0 237.343 2.197 20 10 BECDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)C(C)C ZINC000877044867 590274028 /nfs/dbraw/zinc/27/40/28/590274028.db2.gz JOUQDKRYKNMPJT-CYBMUJFWSA-N 1 0 237.343 2.461 20 10 BECDRO Cc1cc(C[NH2+]Cc2ccc(C)cc2O)[nH]n1 ZINC000877058085 590275572 /nfs/dbraw/zinc/27/55/72/590275572.db2.gz UTULWOCUCSFOOK-UHFFFAOYSA-N 1 0 231.299 2.022 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCOC1CCC1 ZINC000877068945 590277195 /nfs/dbraw/zinc/27/71/95/590277195.db2.gz DQTBDXIOYWZRKG-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH2+]Cc2ccn(C)c2)c(O)c1 ZINC000877081059 590279722 /nfs/dbraw/zinc/27/97/22/590279722.db2.gz WLKSCURTEPTUDO-UHFFFAOYSA-N 1 0 230.311 2.329 20 10 BECDRO CC[C@H](CCO)C[NH2+]Cc1c(C)cccc1O ZINC000877110846 590287108 /nfs/dbraw/zinc/28/71/08/590287108.db2.gz FCVQOAHHRAHXGJ-GFCCVEGCSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCN1CC[C@H](C)C1 ZINC000877154230 590293439 /nfs/dbraw/zinc/29/34/39/590293439.db2.gz NMSZFBHLIISHSN-LBPRGKRZSA-N 1 0 248.370 2.132 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CCC(C)(CO)CC1 ZINC000877361125 590318925 /nfs/dbraw/zinc/31/89/25/590318925.db2.gz QIZFPGQZXOXTAK-UHFFFAOYSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000877423883 590325210 /nfs/dbraw/zinc/32/52/10/590325210.db2.gz NDEWXRDSRCAQQM-HNNXBMFYSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1ccc(C[N@H+](CC(C)(C)O)C2CC2)c(O)c1 ZINC000877428329 590325716 /nfs/dbraw/zinc/32/57/16/590325716.db2.gz IIFJVVKIIGXBNI-UHFFFAOYSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CCO)c(O)c1 ZINC000877435118 590326852 /nfs/dbraw/zinc/32/68/52/590326852.db2.gz OEVJJTDFMAJCLM-ZDUSSCGKSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCOCC(F)F ZINC000877467119 590333913 /nfs/dbraw/zinc/33/39/13/590333913.db2.gz BEJWQVFUJFUUMH-UHFFFAOYSA-N 1 0 245.269 2.072 20 10 BECDRO Cc1ccc(C[NH+]2CC([C@H]3CCOC3)C2)c(O)c1 ZINC000877488246 590338387 /nfs/dbraw/zinc/33/83/87/590338387.db2.gz CYTBQVIJDQJFHR-ZDUSSCGKSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(C[NH2+]CCC2(O)CCC2)c(O)c1 ZINC000877508274 590342957 /nfs/dbraw/zinc/34/29/57/590342957.db2.gz VSTRIOKMNIURMN-UHFFFAOYSA-N 1 0 235.327 2.095 20 10 BECDRO Cc1cc(C[NH2+]Cc2c(C)cccc2O)n(C)n1 ZINC000877507522 590343114 /nfs/dbraw/zinc/34/31/14/590343114.db2.gz OXRJSKAWEIFDJQ-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO CCN1CC[N@H+](Cc2ccc(C)cc2O)[C@H](C)C1 ZINC000877517018 590345404 /nfs/dbraw/zinc/34/54/04/590345404.db2.gz KTABGIIQIZGZQQ-CYBMUJFWSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCOC[C@H]1C ZINC000877520205 590346038 /nfs/dbraw/zinc/34/60/38/590346038.db2.gz PWYWILQXIWKAQZ-CHWSQXEVSA-N 1 0 249.354 2.463 20 10 BECDRO Cc1ccc(C[NH2+][C@H](CO)C2CCCC2)c(O)c1 ZINC000877543000 590351898 /nfs/dbraw/zinc/35/18/98/590351898.db2.gz UYMOFAVSLGOWMS-CQSZACIVSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000877554554 590356562 /nfs/dbraw/zinc/35/65/62/590356562.db2.gz KGXDWXUWXRRMRK-GFCCVEGCSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCn2ccnc21 ZINC000877557987 590359025 /nfs/dbraw/zinc/35/90/25/590359025.db2.gz ZPSVMTXCNWOLDO-LBPRGKRZSA-N 1 0 243.310 2.132 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H](C)CCCCO ZINC000877561014 590359630 /nfs/dbraw/zinc/35/96/30/590359630.db2.gz BEHBRHDEMLPVCX-GFCCVEGCSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(C)cccc1O ZINC000877562426 590359716 /nfs/dbraw/zinc/35/97/16/590359716.db2.gz ZVUFAAOPNXCOGQ-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877567912 590361974 /nfs/dbraw/zinc/36/19/74/590361974.db2.gz UNZBRTBHIZDAAK-TZMCWYRMSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2COCC2(C)C)c(O)c1 ZINC000877572793 590362917 /nfs/dbraw/zinc/36/29/17/590362917.db2.gz LAOGTHMQJJJTPO-ZDUSSCGKSA-N 1 0 235.327 2.215 20 10 BECDRO CCC1(C[NH2+]Cc2ccc(C)cc2O)COC1 ZINC000877572018 590363107 /nfs/dbraw/zinc/36/31/07/590363107.db2.gz CZCPCBSMXASJRY-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@H](CCCO)C2)c(O)c1 ZINC000877576048 590364098 /nfs/dbraw/zinc/36/40/98/590364098.db2.gz DJRCXBAXGTYHBU-ZDUSSCGKSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000877579057 590364858 /nfs/dbraw/zinc/36/48/58/590364858.db2.gz RUOOJXCYVUBFLJ-VXGBXAGGSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000877621841 590375580 /nfs/dbraw/zinc/37/55/80/590375580.db2.gz XOQVMQBITYPZOZ-NSHDSACASA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000877619584 590375659 /nfs/dbraw/zinc/37/56/59/590375659.db2.gz FBYYLGLQGWQRNT-NSHDSACASA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1COC(C)(C)C1 ZINC000877619583 590376256 /nfs/dbraw/zinc/37/62/56/590376256.db2.gz FBYYLGLQGWQRNT-LLVKDONJSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c(O)c1 ZINC000877631085 590378210 /nfs/dbraw/zinc/37/82/10/590378210.db2.gz DZOQSWZMNAYSIR-KGLIPLIRSA-N 1 0 247.338 2.094 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000877640352 590381639 /nfs/dbraw/zinc/38/16/39/590381639.db2.gz LWYXVAKGJVAYEV-SWLSCSKDSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c(O)c1 ZINC000877640705 590383048 /nfs/dbraw/zinc/38/30/48/590383048.db2.gz QVOFAJNOBQLUCT-SWLSCSKDSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c(O)c1 ZINC000877646504 590383637 /nfs/dbraw/zinc/38/36/37/590383637.db2.gz JFYSBXTVUDKAKH-GXTWGEPZSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[N@@H+](C)CC2(C)COC2)c(O)c1 ZINC000877652899 590384976 /nfs/dbraw/zinc/38/49/76/590384976.db2.gz PJJVMKKUZXTCEL-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(O)c1 ZINC000877657548 590385709 /nfs/dbraw/zinc/38/57/09/590385709.db2.gz FJQIETJQEMHAOP-UKRRQHHQSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000877658756 590386205 /nfs/dbraw/zinc/38/62/05/590386205.db2.gz WKYHPHRGKFBUMV-SWLSCSKDSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000877683293 590390870 /nfs/dbraw/zinc/39/08/70/590390870.db2.gz VSZZHPJQRRGDPF-GMXVVIOVSA-N 1 0 235.327 2.356 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000877683292 590390930 /nfs/dbraw/zinc/39/09/30/590390930.db2.gz VSZZHPJQRRGDPF-DMDPSCGWSA-N 1 0 235.327 2.356 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000877683295 590390957 /nfs/dbraw/zinc/39/09/57/590390957.db2.gz VSZZHPJQRRGDPF-NTZNESFSSA-N 1 0 235.327 2.356 20 10 BECDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877690628 590393014 /nfs/dbraw/zinc/39/30/14/590393014.db2.gz DGSKPDQGCYJCNL-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(CN2Cc3cccc(O)c3C2)nn1 ZINC000877702816 590395847 /nfs/dbraw/zinc/39/58/47/590395847.db2.gz ISYHWHUFWAHBIV-UHFFFAOYSA-N 1 0 241.294 2.006 20 10 BECDRO Cn1cccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703558 590397443 /nfs/dbraw/zinc/39/74/43/590397443.db2.gz OJYQRUIADPBBBM-UHFFFAOYSA-N 1 0 228.295 2.247 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c(O)c1 ZINC000877751680 590416165 /nfs/dbraw/zinc/41/61/65/590416165.db2.gz FXMRSZQCZINUBJ-CYBMUJFWSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](C)c2ccnn2C)c(O)c1 ZINC000877761517 590419498 /nfs/dbraw/zinc/41/94/98/590419498.db2.gz IBBDFLHIZVQJBI-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000127988666 590864554 /nfs/dbraw/zinc/86/45/54/590864554.db2.gz JPVYURLZZLFOOO-SECBINFHSA-N 1 0 241.718 2.002 20 10 BECDRO Cc1ccc(O)c(CN(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000211556271 591195191 /nfs/dbraw/zinc/19/51/91/591195191.db2.gz HXBZYGBABWARIS-CQSZACIVSA-N 1 0 248.370 2.227 20 10 BECDRO CC[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000132027052 591683363 /nfs/dbraw/zinc/68/33/63/591683363.db2.gz KTMRAJSSWGUCIB-SECBINFHSA-N 1 0 237.299 2.351 20 10 BECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCF)c1 ZINC000132111150 591687228 /nfs/dbraw/zinc/68/72/28/591687228.db2.gz GBQHPHZZLLPNID-VIFPVBQESA-N 1 0 227.279 2.411 20 10 BECDRO CC[C@H]1COCC[N@@H+]1Cc1cc(C)ccc1O ZINC000132332094 591701768 /nfs/dbraw/zinc/70/17/68/591701768.db2.gz MOAGNLCHLWNKGE-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO CC1(C)C[N@H+](Cc2ccccc2O)CCO1 ZINC000132632123 591726297 /nfs/dbraw/zinc/72/62/97/591726297.db2.gz CJNJLHAHLVNGEV-UHFFFAOYSA-N 1 0 221.300 2.003 20 10 BECDRO COC1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000134661966 591946430 /nfs/dbraw/zinc/94/64/30/591946430.db2.gz RMWWLIDBWDMJLE-UHFFFAOYSA-N 1 0 221.300 2.051 20 10 BECDRO COCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134905845 591957624 /nfs/dbraw/zinc/95/76/24/591957624.db2.gz HLEJHRGFZYVAGC-MRVPVSSYSA-N 1 0 229.707 2.343 20 10 BECDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000134957925 591963359 /nfs/dbraw/zinc/96/33/59/591963359.db2.gz XJQQACHLYWFCSF-NXEZZACHSA-N 1 0 249.310 2.351 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@]12CCOC2 ZINC000886065361 592141555 /nfs/dbraw/zinc/14/15/55/592141555.db2.gz SPQOCVPPIHOWJN-UKRRQHHQSA-N 1 0 247.338 2.251 20 10 BECDRO C[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCCOC1 ZINC000221371496 592418402 /nfs/dbraw/zinc/41/84/02/592418402.db2.gz MPDWFZAMABTUSH-OAHLLOKOSA-N 1 0 247.338 2.280 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000248522658 634511995 /nfs/dbraw/zinc/51/19/95/634511995.db2.gz SDDUINAVLPVMBO-ZKYQVNSYSA-N 1 0 235.327 2.265 20 10 BECDRO C[C@H](O)CC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093481415 631569653 /nfs/dbraw/zinc/56/96/53/631569653.db2.gz CUEBHKNLJLSEGA-VIFPVBQESA-N 1 0 243.734 2.248 20 10 BECDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000934114643 631691262 /nfs/dbraw/zinc/69/12/62/631691262.db2.gz UZCHRRDPHWLWFD-HUUCEWRRSA-N 1 0 248.370 2.362 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CCCF)CC2 ZINC000308911923 631721612 /nfs/dbraw/zinc/72/16/12/631721612.db2.gz XTIHDFXEQFEPSO-SNVBAGLBSA-N 1 0 209.264 2.329 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]Cc2cncn2C)c(O)c1 ZINC000289802938 632648265 /nfs/dbraw/zinc/64/82/65/632648265.db2.gz OBRNWYXNDKQMML-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO OCC1([NH2+]Cc2ccccc2O)CCCCC1 ZINC000053095920 632797662 /nfs/dbraw/zinc/79/76/62/632797662.db2.gz XUXHRMYCWYQIHQ-UHFFFAOYSA-N 1 0 235.327 2.177 20 10 BECDRO COc1ccc(O)c(C[NH2+]CCCCF)c1 ZINC000309274415 632874885 /nfs/dbraw/zinc/87/48/85/632874885.db2.gz RUHWLXZRUHPVNH-UHFFFAOYSA-N 1 0 227.279 2.240 20 10 BECDRO CC[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000077453337 632879145 /nfs/dbraw/zinc/87/91/45/632879145.db2.gz CCNPPSJZOIFHBY-ZDUSSCGKSA-N 1 0 236.359 2.003 20 10 BECDRO C[C@H](CO)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311177199 633081716 /nfs/dbraw/zinc/08/17/16/633081716.db2.gz VHYWGIZAQKGLTQ-AAEUAGOBSA-N 1 0 249.354 2.378 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC2)c(O)c1 ZINC000168763353 633147278 /nfs/dbraw/zinc/14/72/78/633147278.db2.gz IOWHNQXEYVWNGL-LLVKDONJSA-N 1 0 235.327 2.266 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCC2)c1 ZINC000168762315 633148192 /nfs/dbraw/zinc/14/81/92/633148192.db2.gz KWRWAEVOOIZHER-NSHDSACASA-N 1 0 235.327 2.266 20 10 BECDRO COC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628534 633838442 /nfs/dbraw/zinc/83/84/42/633838442.db2.gz HXOULDXHOUYKCJ-QWRGUYRKSA-N 1 0 223.316 2.386 20 10 BECDRO COc1cccc(O)c1C[NH2+]CC=C(C)C ZINC000309889928 633908670 /nfs/dbraw/zinc/90/86/70/633908670.db2.gz ZXLQMNRMXGAJRX-UHFFFAOYSA-N 1 0 221.300 2.457 20 10 BECDRO FC1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000309521381 633944013 /nfs/dbraw/zinc/94/40/13/633944013.db2.gz BKWYJCONOUJSGB-UHFFFAOYSA-N 1 0 221.275 2.213 20 10 BECDRO CC[C@@H]([NH2+]CCCO)c1cc(Cl)ccc1O ZINC000310012781 634071297 /nfs/dbraw/zinc/07/12/97/634071297.db2.gz JGQXNYCHHNBUFX-LLVKDONJSA-N 1 0 243.734 2.469 20 10 BECDRO CC[C@H](CCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310250073 634099964 /nfs/dbraw/zinc/09/99/64/634099964.db2.gz JZYIDGUVNLOZOC-VXGBXAGGSA-N 1 0 235.327 2.130 20 10 BECDRO Oc1cc2c(cc1C[NH+]1CCCCC1)OCO2 ZINC000005066469 635197500 /nfs/dbraw/zinc/19/75/00/635197500.db2.gz NMUDNXHGTMFTRC-UHFFFAOYSA-N 1 0 235.283 2.107 20 10 BECDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258856173 635213758 /nfs/dbraw/zinc/21/37/58/635213758.db2.gz OALWSHJCVSBYPQ-CQSZACIVSA-N 1 0 249.354 2.118 20 10 BECDRO CCOc1ccc(N(C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000258926631 635225702 /nfs/dbraw/zinc/22/57/02/635225702.db2.gz OYTCHSQYXBZDEG-GFCCVEGCSA-N 1 0 234.343 2.131 20 10 BECDRO CC[C@@H]([NH2+]CCn1cccn1)c1ccccc1O ZINC000042538927 637278081 /nfs/dbraw/zinc/27/80/81/637278081.db2.gz JKTZJIKNPFKWTN-CYBMUJFWSA-N 1 0 245.326 2.330 20 10 BECDRO COc1ccc(CN[C@@H]2C[NH2+]CC2(C)C)cc1C ZINC000904461429 637406928 /nfs/dbraw/zinc/40/69/28/637406928.db2.gz ATXPDLDIVJCHQB-CQSZACIVSA-N 1 0 248.370 2.091 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000164237395 640457753 /nfs/dbraw/zinc/45/77/53/640457753.db2.gz WUSYDTXXXDKMHH-ZYHUDNBSSA-N 1 0 241.718 2.049 20 10 BECDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000164568624 640492092 /nfs/dbraw/zinc/49/20/92/640492092.db2.gz AFUCLBNMYZUPNF-DCAQKATOSA-N 1 0 223.316 2.202 20 10 BECDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1O ZINC000167453479 640723177 /nfs/dbraw/zinc/72/31/77/640723177.db2.gz GLTWUXBGGHVFQA-IJLUTSLNSA-N 1 0 235.327 2.468 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CCc1ccco1 ZINC000226582696 640779324 /nfs/dbraw/zinc/77/93/24/640779324.db2.gz KRITWJYELGJGRR-UHFFFAOYSA-N 1 0 235.258 2.457 20 10 BECDRO COC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111330 640845776 /nfs/dbraw/zinc/84/57/76/640845776.db2.gz XZVLXNWYTCWHMV-RKDXNWHRSA-N 1 0 227.279 2.217 20 10 BECDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000227826414 640850734 /nfs/dbraw/zinc/85/07/34/640850734.db2.gz UGSKVKCVSBNJDF-OLZOCXBDSA-N 1 0 235.327 2.295 20 10 BECDRO CC[C@@H](O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000229966624 641000027 /nfs/dbraw/zinc/00/00/27/641000027.db2.gz WXLXODWVXDLBMN-GHMZBOCLSA-N 1 0 223.316 2.122 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230393252 641048790 /nfs/dbraw/zinc/04/87/90/641048790.db2.gz PWPQTUPGRJBKTB-SNVBAGLBSA-N 1 0 239.290 2.048 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1 ZINC000230670860 641078072 /nfs/dbraw/zinc/07/80/72/641078072.db2.gz FPIRVPAJNPUPBN-TZMCWYRMSA-N 1 0 249.354 2.341 20 10 BECDRO COC1CC([NH2+][C@H](C)c2ccccc2O)C1 ZINC000230674344 641079902 /nfs/dbraw/zinc/07/99/02/641079902.db2.gz MZDIOWMOGVKEFV-KPPDAEKUSA-N 1 0 221.300 2.220 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1C ZINC000230681452 641081522 /nfs/dbraw/zinc/08/15/22/641081522.db2.gz ODKWPTMLAKIYTL-ZIAGYGMSSA-N 1 0 249.354 2.254 20 10 BECDRO CC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1O ZINC000041014259 641539346 /nfs/dbraw/zinc/53/93/46/641539346.db2.gz CDPFKHKNECEXJG-GFCCVEGCSA-N 1 0 231.299 2.356 20 10 BECDRO CCO[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000155487205 641573647 /nfs/dbraw/zinc/57/36/47/641573647.db2.gz GJNZFOPKZPUQRZ-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1O ZINC000914436134 641705876 /nfs/dbraw/zinc/70/58/76/641705876.db2.gz PUKCSIBHPRRPSS-KGLIPLIRSA-N 1 0 247.338 2.215 20 10 BECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000188803857 641766975 /nfs/dbraw/zinc/76/69/75/641766975.db2.gz RMQMWOJZUPNBBV-ZDUSSCGKSA-N 1 0 249.310 2.183 20 10 BECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000188803875 641767779 /nfs/dbraw/zinc/76/77/79/641767779.db2.gz RMQMWOJZUPNBBV-CYBMUJFWSA-N 1 0 249.310 2.183 20 10 BECDRO CC[C@H](CCO)[NH2+]Cc1cc(Cl)ccc1O ZINC000077453732 641856838 /nfs/dbraw/zinc/85/68/38/641856838.db2.gz STIBYNBGQADUCH-LLVKDONJSA-N 1 0 243.734 2.296 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1O ZINC000154413871 642069211 /nfs/dbraw/zinc/06/92/11/642069211.db2.gz RGLXARQBOCWZHG-CYBMUJFWSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1O ZINC000154413987 642070059 /nfs/dbraw/zinc/07/00/59/642070059.db2.gz RGLXARQBOCWZHG-ZDUSSCGKSA-N 1 0 249.354 2.436 20 10 BECDRO C[C@@H]1C[NH+](Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000097987280 642651632 /nfs/dbraw/zinc/65/16/32/642651632.db2.gz GZJISGMQQYWBDG-NXEZZACHSA-N 1 0 249.310 2.209 20 10 BECDRO CCCN(Cc1ccccc1O)C[C@H]1CCC[NH2+]1 ZINC000233113648 642651846 /nfs/dbraw/zinc/65/18/46/642651846.db2.gz XTKZHOCNNVDWOZ-CQSZACIVSA-N 1 0 248.370 2.356 20 10 BECDRO CCC[C@@](C)(CO)[NH2+]Cc1cccc(C)c1O ZINC000305807323 642700288 /nfs/dbraw/zinc/70/02/88/642700288.db2.gz ZQYMEOFKBUWKOP-AWEZNQCLSA-N 1 0 237.343 2.341 20 10 BECDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000305855744 642709048 /nfs/dbraw/zinc/70/90/48/642709048.db2.gz BNNZQVHZOFMNKK-JOYOIKCWSA-N 1 0 239.290 2.046 20 10 BECDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000305855743 642709539 /nfs/dbraw/zinc/70/95/39/642709539.db2.gz BNNZQVHZOFMNKK-CABZTGNLSA-N 1 0 239.290 2.046 20 10 BECDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179576923 642730536 /nfs/dbraw/zinc/73/05/36/642730536.db2.gz QUXXBCZVROKWKP-AAEUAGOBSA-N 1 0 235.327 2.128 20 10 BECDRO CC[C@H]([NH2+]C[C@H](C)OC)c1ccccc1O ZINC000182435743 643019593 /nfs/dbraw/zinc/01/95/93/643019593.db2.gz ZPGWMGKMBPIYHN-JQWIXIFHSA-N 1 0 223.316 2.468 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CCO)c(O)c1 ZINC000097439709 643129916 /nfs/dbraw/zinc/12/99/16/643129916.db2.gz KCJAKFGUPZSGJY-RYUDHWBXSA-N 1 0 237.343 2.370 20 10 BECDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000183509599 643140169 /nfs/dbraw/zinc/14/01/69/643140169.db2.gz KPNVJPJMJLQDFM-SMDDNHRTSA-N 1 0 237.343 2.450 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000932339110 643140757 /nfs/dbraw/zinc/14/07/57/643140757.db2.gz NBMBCODLPKCOHZ-CYBMUJFWSA-N 1 0 248.370 2.363 20 10 BECDRO CCN1CCC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000071408243 643141173 /nfs/dbraw/zinc/14/11/73/643141173.db2.gz TWUVEHPUQJXCSE-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C2(CO)CCCCC2)c1 ZINC000071409231 643143570 /nfs/dbraw/zinc/14/35/70/643143570.db2.gz UWWZJAOEYCVDTK-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC2(CO)CCC2)cc1 ZINC000184368876 643205798 /nfs/dbraw/zinc/20/57/98/643205798.db2.gz RLQNCGVSCKNHHV-UHFFFAOYSA-N 1 0 248.370 2.005 20 10 BECDRO CCN(C[C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000843357736 643363413 /nfs/dbraw/zinc/36/34/13/643363413.db2.gz PDIMNBUGZYAFAD-LBPRGKRZSA-N 1 0 234.343 2.131 20 10 BECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000050369199 643691480 /nfs/dbraw/zinc/69/14/80/643691480.db2.gz FCQVNYPFPWGIER-DGCLKSJQSA-N 1 0 221.300 2.049 20 10 BECDRO C[C@@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000921933133 643829270 /nfs/dbraw/zinc/82/92/70/643829270.db2.gz LFVAISIFNHASCK-OAHLLOKOSA-N 1 0 247.338 2.280 20 10 BECDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948450 643831791 /nfs/dbraw/zinc/83/17/91/643831791.db2.gz DAVNAWVGCGPDLZ-RISCZKNCSA-N 1 0 247.338 2.279 20 10 BECDRO C=Cn1cc(C[N@@H+](C)Cc2ccccc2O)cn1 ZINC000193757512 644277783 /nfs/dbraw/zinc/27/77/83/644277783.db2.gz LICNMYZAGGOVBX-UHFFFAOYSA-N 1 0 243.310 2.321 20 10 BECDRO CCCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000074172438 644290861 /nfs/dbraw/zinc/29/08/61/644290861.db2.gz GJPKTMDJLGHKBP-UHFFFAOYSA-N 1 0 237.299 2.353 20 10 BECDRO C[C@H](CCCO)[NH2+]Cc1cc(Cl)ccc1O ZINC000087358627 644489416 /nfs/dbraw/zinc/48/94/16/644489416.db2.gz DWSKGMPETRFPOL-SECBINFHSA-N 1 0 243.734 2.296 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccccc1O ZINC000248580013 644689931 /nfs/dbraw/zinc/68/99/31/644689931.db2.gz VMQNPHJMSUEDAC-OUCADQQQSA-N 1 0 235.327 2.346 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccccc1O ZINC000251507446 644807385 /nfs/dbraw/zinc/80/73/85/644807385.db2.gz HMIYMEKMLRXLPU-GMXVVIOVSA-N 1 0 235.327 2.204 20 10 BECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](F)C2)c1O ZINC000840104039 644865051 /nfs/dbraw/zinc/86/50/51/644865051.db2.gz GGESHDIQOMJESC-NSHDSACASA-N 1 0 239.290 2.253 20 10 BECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(C)c1O ZINC000824636282 645056822 /nfs/dbraw/zinc/05/68/22/645056822.db2.gz NWJLSJGFHXKKBI-UONOGXRCSA-N 1 0 249.354 2.293 20 10 BECDRO COCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825050837 645061064 /nfs/dbraw/zinc/06/10/64/645061064.db2.gz VGCRESUWIKXPDS-UHFFFAOYSA-N 1 0 229.707 2.090 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCC=CO1 ZINC000877459587 645796635 /nfs/dbraw/zinc/79/66/35/645796635.db2.gz LHSYTUBGKQCWNE-GFCCVEGCSA-N 1 0 233.311 2.483 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)c(O)c1 ZINC000877459761 645797182 /nfs/dbraw/zinc/79/71/82/645797182.db2.gz KLYMLYORDMAADA-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877625645 645802935 /nfs/dbraw/zinc/80/29/35/645802935.db2.gz MEHHXKGGZCSVHH-HAQNSBGRSA-N 1 0 235.327 2.358 20 10 BECDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccccc1O ZINC000705015434 712121915 /nfs/dbraw/zinc/12/19/15/712121915.db2.gz TUJSCSDMHOOEKF-QPUJVOFHSA-N 1 0 245.269 2.059 20 10 BECDRO COCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000378758714 712360992 /nfs/dbraw/zinc/36/09/92/712360992.db2.gz ZMRWHBJMHHZDEB-NSHDSACASA-N 1 0 223.316 2.306 20 10 BECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccccc1O ZINC000716955672 712599699 /nfs/dbraw/zinc/59/96/99/712599699.db2.gz QVKDUJYLKNGQHN-ZYHUDNBSSA-N 1 0 223.316 2.031 20 10 BECDRO Oc1ccccc1C[NH2+]CCCOC(F)F ZINC000381554779 710654618 /nfs/dbraw/zinc/65/46/18/710654618.db2.gz OFTVWFUBZHEWJO-UHFFFAOYSA-N 1 0 231.242 2.111 20 10 BECDRO COc1cccc(O)c1C[NH2+]CC[C@@H](C)F ZINC000382162020 710800941 /nfs/dbraw/zinc/80/09/41/710800941.db2.gz SXSFAAWIPCSWQS-SECBINFHSA-N 1 0 227.279 2.239 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H](C)O1 ZINC000384570430 710994780 /nfs/dbraw/zinc/99/47/80/710994780.db2.gz IZKFMQREVJNUDX-UHIISALHSA-N 1 0 247.338 2.277 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)[C@H]1C ZINC000386181634 711024873 /nfs/dbraw/zinc/02/48/73/711024873.db2.gz CHXUIHQZIXLUNE-SUNKGSAMSA-N 1 0 218.344 2.445 20 10 BECDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccccc1O)C1CC1 ZINC000388349226 711058686 /nfs/dbraw/zinc/05/86/86/711058686.db2.gz NSQOWSKUZDYCIE-QMTHXVAHSA-N 1 0 235.327 2.295 20 10 BECDRO C[C@H](F)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000393496228 711161825 /nfs/dbraw/zinc/16/18/25/711161825.db2.gz RVMMQBKVFHWCNK-JTQLQIEISA-N 1 0 223.291 2.459 20 10 BECDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccccc1O ZINC000393623445 711167229 /nfs/dbraw/zinc/16/72/29/711167229.db2.gz TTWCMUZXRJRPCD-UHFFFAOYSA-N 1 0 237.343 2.279 20 10 BECDRO CCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)COC1 ZINC000393960615 711180282 /nfs/dbraw/zinc/18/02/82/711180282.db2.gz DOGDZEFEOSWJHL-GFCCVEGCSA-N 1 0 247.338 2.396 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(F)ccc1O ZINC000393968026 711180382 /nfs/dbraw/zinc/18/03/82/711180382.db2.gz GUULXRILAXOEKK-BDAKNGLRSA-N 1 0 241.306 2.341 20 10 BECDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](C)O ZINC000395294842 711207513 /nfs/dbraw/zinc/20/75/13/711207513.db2.gz DAEBPFSINKZYIQ-KCJUWKMLSA-N 1 0 243.734 2.295 20 10 BECDRO OCC1(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000395939986 711217175 /nfs/dbraw/zinc/21/71/75/711217175.db2.gz OULPHAMSRFNYLL-LBPRGKRZSA-N 1 0 247.338 2.132 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1 ZINC000398049752 711400956 /nfs/dbraw/zinc/40/09/56/711400956.db2.gz VPHTZOIDUGGBTG-AAEUAGOBSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(C[NH2+][C@@](C)(CO)C(C)C)c1O ZINC000398527953 711412034 /nfs/dbraw/zinc/41/20/34/711412034.db2.gz WECKERNRYHASGN-AWEZNQCLSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCO)c1O ZINC000381786394 710714926 /nfs/dbraw/zinc/71/49/26/710714926.db2.gz YXDLOPPCAWBYTC-SECBINFHSA-N 1 0 243.734 2.387 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000384890469 711000555 /nfs/dbraw/zinc/00/05/55/711000555.db2.gz KSWLHTWBAGLMST-GMXVVIOVSA-N 1 0 235.327 2.356 20 10 BECDRO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000392453179 711148546 /nfs/dbraw/zinc/14/85/46/711148546.db2.gz HROGNEVVVRFLKR-IUCAKERBSA-N 1 0 246.314 2.231 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C)nn2)c1 ZINC000396708959 711367675 /nfs/dbraw/zinc/36/76/75/711367675.db2.gz PVTNKXHXQOILFV-UHFFFAOYSA-N 1 0 243.310 2.089 20 10 BECDRO C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCOC1 ZINC000397160226 711377801 /nfs/dbraw/zinc/37/78/01/711377801.db2.gz SNQYIZVQNCCYFG-IUODEOHRSA-N 1 0 247.338 2.396 20 10 BECDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000397833674 711392870 /nfs/dbraw/zinc/39/28/70/711392870.db2.gz NUGQSQTXMKQAOP-ZWNOBZJWSA-N 1 0 249.379 2.463 20 10 BECDRO COCCC(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000397865119 711393659 /nfs/dbraw/zinc/39/36/59/711393659.db2.gz GBAWVKOOZLBFHV-UHFFFAOYSA-N 1 0 241.306 2.436 20 10 BECDRO OCC[C@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000725087783 711651314 /nfs/dbraw/zinc/65/13/14/711651314.db2.gz JEJOJMHUODMOGR-AWEZNQCLSA-N 1 0 249.354 2.423 20 10 BECDRO Oc1cc2c(cc1C[NH+]1C3CCC1CC3)OCO2 ZINC000398900115 711740929 /nfs/dbraw/zinc/74/09/29/711740929.db2.gz KPXNFRIYBJKSMS-UHFFFAOYSA-N 1 0 247.294 2.248 20 10 BECDRO CC(C)[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000319629562 711765906 /nfs/dbraw/zinc/76/59/06/711765906.db2.gz ZHUPXCBKUFJYFD-NSHDSACASA-N 1 0 206.333 2.445 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCCn2ccnc2)c1 ZINC000071406939 711898332 /nfs/dbraw/zinc/89/83/32/711898332.db2.gz CITJVCGMMGQTCV-UHFFFAOYSA-N 1 0 245.326 2.077 20 10 BECDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921987350 711952210 /nfs/dbraw/zinc/95/22/10/711952210.db2.gz YHKAXWOKVGANCB-RYUDHWBXSA-N 1 0 249.354 2.261 20 10 BECDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000702007110 712035653 /nfs/dbraw/zinc/03/56/53/712035653.db2.gz KHAUUYPOCZRWRE-CYBMUJFWSA-N 1 0 248.370 2.355 20 10 BECDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccccc1O ZINC000702007112 712035687 /nfs/dbraw/zinc/03/56/87/712035687.db2.gz KHAUUYPOCZRWRE-ZDUSSCGKSA-N 1 0 248.370 2.355 20 10 BECDRO CC1(C)C[C@@]1(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000702021611 712036869 /nfs/dbraw/zinc/03/68/69/712036869.db2.gz AITHBEBHUDYKRC-CQSZACIVSA-N 1 0 249.310 2.399 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CCC1CC(O)C1)CC2 ZINC000702437269 712053306 /nfs/dbraw/zinc/05/33/06/712053306.db2.gz RRPPLDCGWJNIKT-GDKBPFBDSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccccc1O ZINC000702439706 712053327 /nfs/dbraw/zinc/05/33/27/712053327.db2.gz HTBHWOFOMYGDOK-UNXYVOJBSA-N 1 0 235.327 2.204 20 10 BECDRO C[C@@H](F)CC[NH2+]Cc1cc(F)ccc1O ZINC000702641880 712058017 /nfs/dbraw/zinc/05/80/17/712058017.db2.gz OAMFCRFGBIKLNG-MRVPVSSYSA-N 1 0 215.243 2.369 20 10 BECDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000706533176 712149274 /nfs/dbraw/zinc/14/92/74/712149274.db2.gz DVXZRJFRWAUOIZ-FBIMIBRVSA-N 1 0 239.290 2.359 20 10 BECDRO CC[C@@]1(C)COCC[N@@H+]1Cc1ccccc1O ZINC000708286165 712185396 /nfs/dbraw/zinc/18/53/96/712185396.db2.gz DUQICNKWFODKOW-AWEZNQCLSA-N 1 0 235.327 2.393 20 10 BECDRO CN(Cc1c(O)cccc1Cl)CC(C)(C)[NH3+] ZINC000709262497 712218640 /nfs/dbraw/zinc/21/86/40/712218640.db2.gz SJXQQLFJSGBEMQ-UHFFFAOYSA-N 1 0 242.750 2.215 20 10 BECDRO COCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000709296964 712219369 /nfs/dbraw/zinc/21/93/69/712219369.db2.gz FEKWJTUOPMDAGG-UHFFFAOYSA-N 1 0 247.338 2.138 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000709406631 712221365 /nfs/dbraw/zinc/22/13/65/712221365.db2.gz OANSYDBGEWLTCH-QWHCGFSZSA-N 1 0 249.354 2.204 20 10 BECDRO CCc1cccc(C[NH2+]C[C@@](C)(O)CC)c1O ZINC000709420228 712221467 /nfs/dbraw/zinc/22/14/67/712221467.db2.gz XSFWFOIYXVIOFT-AWEZNQCLSA-N 1 0 237.343 2.205 20 10 BECDRO CC[C@@]1([NH2+]Cc2cccc(C)c2O)CCOC1 ZINC000378747201 712359020 /nfs/dbraw/zinc/35/90/20/712359020.db2.gz MLAYYDGYMXQUAK-CQSZACIVSA-N 1 0 235.327 2.359 20 10 BECDRO CCc1cccc(C[NH2+]C[C@@H]2CCN2CC)c1O ZINC000712614499 712438061 /nfs/dbraw/zinc/43/80/61/712438061.db2.gz MJOHCJZIHMMYPF-AWEZNQCLSA-N 1 0 248.370 2.138 20 10 BECDRO C=C/C=C\CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000713494167 712462606 /nfs/dbraw/zinc/46/26/06/712462606.db2.gz DJOYTJYZBXVQRZ-ARJAWSKDSA-N 1 0 247.294 2.343 20 10 BECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CC12CC2 ZINC000715258663 712514743 /nfs/dbraw/zinc/51/47/43/712514743.db2.gz YPWQJDJCUUCDRZ-NSHDSACASA-N 1 0 207.248 2.173 20 10 BECDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037196161 712552491 /nfs/dbraw/zinc/55/24/91/712552491.db2.gz LDTFCRLLDNXTPU-RYUDHWBXSA-N 1 0 236.359 2.438 20 10 BECDRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccccc1O ZINC000716714023 712570724 /nfs/dbraw/zinc/57/07/24/712570724.db2.gz SJFNXCVGVLRRQR-GZMMTYOYSA-N 1 0 245.269 2.059 20 10 BECDRO CCC[C@@H](CCO)[NH2+]Cc1cc(C)ccc1O ZINC000716796009 712574319 /nfs/dbraw/zinc/57/43/19/712574319.db2.gz FJXWNYLPOLWSFK-ZDUSSCGKSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(C)ccc1O ZINC000716813158 712576023 /nfs/dbraw/zinc/57/60/23/712576023.db2.gz GZFZAVIJURGYAI-DGCLKSJQSA-N 1 0 237.343 2.340 20 10 BECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(C)ccc1O ZINC000716813164 712576100 /nfs/dbraw/zinc/57/61/00/712576100.db2.gz GZFZAVIJURGYAI-YPMHNXCESA-N 1 0 237.343 2.340 20 10 BECDRO CCC[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716868245 712579088 /nfs/dbraw/zinc/57/90/88/712579088.db2.gz AVKUEYRBQDIZIW-AWEZNQCLSA-N 1 0 249.354 2.262 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CCC=CO2)c1O ZINC000379971844 712642674 /nfs/dbraw/zinc/64/26/74/712642674.db2.gz NJYZEMQZLRYRJD-CYBMUJFWSA-N 1 0 233.311 2.483 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2C)c(O)c1 ZINC000719558669 712809233 /nfs/dbraw/zinc/80/92/33/712809233.db2.gz LXZAOCOSKDSEOT-OBJOEFQTSA-N 1 0 248.370 2.444 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2C)c1 ZINC000719559705 712809349 /nfs/dbraw/zinc/80/93/49/712809349.db2.gz NRVDHLJNIYUOBP-OBJOEFQTSA-N 1 0 248.370 2.444 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c1O ZINC000719647119 712819799 /nfs/dbraw/zinc/81/97/99/712819799.db2.gz ZBZHKFVLTIDMTJ-BXUZGUMPSA-N 1 0 248.370 2.137 20 10 BECDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000720937716 712880436 /nfs/dbraw/zinc/88/04/36/712880436.db2.gz WWTCJYUKYSFVFH-SLEUVZQESA-N 1 0 248.370 2.174 20 10 BECDRO Oc1ccccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000693196084 957857365 /nfs/dbraw/zinc/85/73/65/957857365.db2.gz HENKNOOMQRUOQE-DGCLKSJQSA-N 1 0 203.285 2.424 20 10 BECDRO CSCC[N@H+](C)Cc1cc(C)ccc1O ZINC000093509617 964161203 /nfs/dbraw/zinc/16/12/03/964161203.db2.gz NJRIDVBBJPEGQP-UHFFFAOYSA-N 1 0 225.357 2.495 20 10 BECDRO CNc1ccccc1NC=C1CC[NH2+]CC1 ZINC001160340718 964284460 /nfs/dbraw/zinc/28/44/60/964284460.db2.gz VSMRTYICQKFCQW-UHFFFAOYSA-N 1 0 217.316 2.408 20 10 BECDRO C[N@H+](Cc1ccc(O)cc1O)C1CC(F)(F)C1 ZINC001204271704 966954111 /nfs/dbraw/zinc/95/41/11/966954111.db2.gz CECKWZUFWVIMKL-UHFFFAOYSA-N 1 0 243.253 2.327 20 10 BECDRO CCCC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC001252093750 968572419 /nfs/dbraw/zinc/57/24/19/968572419.db2.gz JPLKZVOJVDXKJY-ZDUSSCGKSA-N 1 0 237.343 2.375 20 10 BECDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC000128442897 1166062985 /nfs/dbraw/zinc/06/29/85/1166062985.db2.gz HUOJUYAULVJSQS-ONGXEEELSA-N 1 0 221.300 2.376 20 10 BECDRO CCC[C@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252805035 968990164 /nfs/dbraw/zinc/99/01/64/968990164.db2.gz DECGZTZLVRMLHA-LBPRGKRZSA-N 1 0 237.343 2.260 20 10 BECDRO Nc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000306049591 1166190693 /nfs/dbraw/zinc/19/06/93/1166190693.db2.gz PCZXYTPWEIMOBC-UHFFFAOYSA-N 1 0 246.354 2.271 20 10 BECDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000228084857 1166752290 /nfs/dbraw/zinc/75/22/90/1166752290.db2.gz AFWKSBLBYMPSOJ-VXGBXAGGSA-N 1 0 236.359 2.002 20 10 BECDRO CC1([NH3+])CN(Cc2ccc3ccccc3c2O)C1 ZINC001204985132 1167182511 /nfs/dbraw/zinc/18/25/11/1167182511.db2.gz FBETZZQNBLILFJ-UHFFFAOYSA-N 1 0 242.322 2.078 20 10 BECDRO C[N@@H+](Cc1ccc(N)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000385577960 1167394521 /nfs/dbraw/zinc/39/45/21/1167394521.db2.gz FDAFYLHNPBLLBK-ZFWWWQNUSA-N 1 0 248.370 2.252 20 10 BECDRO CCc1ccc(C[N@@H+](CC)C2COC2)c(O)c1 ZINC001236794011 979735574 /nfs/dbraw/zinc/73/55/74/979735574.db2.gz JFBCTRSDOQJHSQ-UHFFFAOYSA-N 1 0 235.327 2.175 20 10 BECDRO CC[N@H+](Cc1cccc(C)c1O)CC(C)(C)O ZINC000271904201 1168350547 /nfs/dbraw/zinc/35/05/47/1168350547.db2.gz ZYSGJIDOWYKJBF-UHFFFAOYSA-N 1 0 237.343 2.293 20 10 BECDRO COCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000691839778 1169291150 /nfs/dbraw/zinc/29/11/50/1169291150.db2.gz UMEWUICHWXWVRR-GFCCVEGCSA-N 1 0 247.338 2.396 20 10 BECDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CO1 ZINC000402217288 970770115 /nfs/dbraw/zinc/77/01/15/970770115.db2.gz MVGZYIMWAYNHAS-KWQFWETISA-N 1 0 241.718 2.313 20 10 BECDRO CCC(CC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257290380 971175214 /nfs/dbraw/zinc/17/52/14/971175214.db2.gz VASRUVZFLZIBCK-UHFFFAOYSA-N 1 0 237.299 2.059 20 10 BECDRO C[C@@H]1CC[NH2+]CC[C@@H]1OCc1ccc(N)cc1 ZINC001217781905 971403132 /nfs/dbraw/zinc/40/31/32/971403132.db2.gz NWGIAIWKUIDJHW-RISCZKNCSA-N 1 0 234.343 2.174 20 10 BECDRO Nc1ccc(CO[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001217814049 971416374 /nfs/dbraw/zinc/41/63/74/971416374.db2.gz ZOYOPZMGCSXYTP-VHDGCEQUSA-N 1 0 246.354 2.174 20 10 BECDRO CCN1CCc2cc(O[C@@H]3C[NH2+][C@H](C)C3)ccc21 ZINC001218047886 971589991 /nfs/dbraw/zinc/58/99/91/971589991.db2.gz JLDJKJZPHUBZRS-RISCZKNCSA-N 1 0 246.354 2.198 20 10 BECDRO C[NH2+][C@H]1CC[C@H](Oc2ccc(N)cc2)CC1 ZINC001218186568 971619562 /nfs/dbraw/zinc/61/95/62/971619562.db2.gz CAXIJUVDKXNRBG-AULYBMBSSA-N 1 0 220.316 2.178 20 10 BECDRO CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000706177229 957657969 /nfs/dbraw/zinc/65/79/69/957657969.db2.gz CNLXGHMGXXJUSF-GFCCVEGCSA-N 1 0 239.290 2.142 20 10 BECDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000693096721 957667412 /nfs/dbraw/zinc/66/74/12/957667412.db2.gz FBHGCKIVHABIHA-GFCCVEGCSA-N 1 0 235.327 2.297 20 10 BECDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccccc1O ZINC000316592284 972287688 /nfs/dbraw/zinc/28/76/88/972287688.db2.gz OJEAHXMSYVNVNJ-QMTHXVAHSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1c[nH]c(C[NH2+]Cc2cc(C)ccc2O)n1 ZINC000693497198 958573655 /nfs/dbraw/zinc/57/36/55/958573655.db2.gz TVNURTQZEPZCMS-UHFFFAOYSA-N 1 0 231.299 2.022 20 10 BECDRO Oc1ccc(C[NH+]2CCCCC2)c(O)c1 ZINC000092106905 958893748 /nfs/dbraw/zinc/89/37/48/958893748.db2.gz GSTWBOKOLPWHGO-UHFFFAOYSA-N 1 0 207.273 2.084 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c1 ZINC001140617163 960459087 /nfs/dbraw/zinc/45/90/87/960459087.db2.gz HWINGZXDDLXFEV-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)c(O)c1 ZINC001140948072 960746191 /nfs/dbraw/zinc/74/61/91/960746191.db2.gz RTKPHWCMESFYQO-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c(O)c1 ZINC001140948182 960746777 /nfs/dbraw/zinc/74/67/77/960746777.db2.gz WYTLMSJTMFOEMJ-IUODEOHRSA-N 1 0 249.354 2.293 20 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CCCC[N@H+](C)Cc1cc(O)ccc1O ZINC001141155876 960891307 /nfs/dbraw/zinc/89/13/07/960891307.db2.gz NKDKEMDNMGIRQR-UHFFFAOYSA-N 1 0 209.289 2.330 20 10 BECDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141160229 960895095 /nfs/dbraw/zinc/89/50/95/960895095.db2.gz UNESFYMDTBESRX-LLVKDONJSA-N 1 0 221.300 2.472 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CC3CCC2CC3)c1 ZINC001141159461 960897487 /nfs/dbraw/zinc/89/74/87/960897487.db2.gz GUQNSEOIMFWNGZ-UHFFFAOYSA-N 1 0 233.311 2.472 20 10 BECDRO CN(C)c1cc[nH+]c(NCc2ccc(N)cc2)c1 ZINC001162786491 965167235 /nfs/dbraw/zinc/16/72/35/965167235.db2.gz YFVPEJSIEJSMDM-UHFFFAOYSA-N 1 0 242.326 2.342 20 10 BECDRO COc1cccc(C[N@@H+]2CCC[C@H](F)C2)c1O ZINC000689902887 965453844 /nfs/dbraw/zinc/45/38/44/965453844.db2.gz GLDDWFWKEXBHQN-NSHDSACASA-N 1 0 239.290 2.335 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2COC[C@@H]2C)cc1C ZINC000699791453 966093652 /nfs/dbraw/zinc/09/36/52/966093652.db2.gz UCTBFUXEMDXPSP-WCQYABFASA-N 1 0 235.327 2.128 20 10 BECDRO CCc1ccc(C[N@H+](C2CC2)C2COC2)c(O)c1 ZINC001236795537 966537565 /nfs/dbraw/zinc/53/75/65/966537565.db2.gz WDKHYPNSFSSTOB-UHFFFAOYSA-N 1 0 247.338 2.318 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1F ZINC001203550392 966682288 /nfs/dbraw/zinc/68/22/88/966682288.db2.gz UMRMBAJKIJZWGO-KOLCDFICSA-N 1 0 209.264 2.182 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCCCC12COC2 ZINC001203555722 966692006 /nfs/dbraw/zinc/69/20/06/966692006.db2.gz DWGHOSMBFOZXQB-UHFFFAOYSA-N 1 0 233.311 2.147 20 10 BECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]2C)c1O ZINC001203602451 966702693 /nfs/dbraw/zinc/70/26/93/966702693.db2.gz XUTDSRPDLROPPF-JTQLQIEISA-N 1 0 221.300 2.385 20 10 BECDRO C[N@H+](Cc1ccc(O)c(O)c1)C1CC(F)(F)C1 ZINC001203873566 966804030 /nfs/dbraw/zinc/80/40/30/966804030.db2.gz GANFVJAFYPOTTF-UHFFFAOYSA-N 1 0 243.253 2.327 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1O ZINC001203880437 966810061 /nfs/dbraw/zinc/81/00/61/966810061.db2.gz AUELHOVMSHCDLV-NSHDSACASA-N 1 0 239.290 2.279 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](O)C2)cc1 ZINC001203930221 966825849 /nfs/dbraw/zinc/82/58/49/966825849.db2.gz OQUUWTBPXDZKFK-OAHLLOKOSA-N 1 0 248.370 2.099 20 10 BECDRO CC[C@H](C)[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204346143 966969647 /nfs/dbraw/zinc/96/96/47/966969647.db2.gz FHDPPYIZYAMPRD-VIFPVBQESA-N 1 0 239.315 2.337 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)CC[C@H]1CN ZINC001205856022 967856302 /nfs/dbraw/zinc/85/63/02/967856302.db2.gz RXHHSQVWPOHPGS-YPMHNXCESA-N 1 0 248.370 2.260 20 10 BECDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)c1ccccc1O ZINC001207161572 968669005 /nfs/dbraw/zinc/66/90/05/968669005.db2.gz ZGEUBQVLICSRSN-VCDKRKBESA-N 1 0 233.311 2.078 20 10 BECDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001207630448 968848100 /nfs/dbraw/zinc/84/81/00/968848100.db2.gz CCQSBMCUZQYMCF-KWQFWETISA-N 1 0 241.718 2.170 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC001207662773 968856452 /nfs/dbraw/zinc/85/64/52/968856452.db2.gz WBYDIJWAYXEGBS-IAQYHMDHSA-N 1 0 249.354 2.328 20 10 BECDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)C(C)C ZINC001253764481 969380800 /nfs/dbraw/zinc/38/08/00/969380800.db2.gz CDULBUYZHGYVAB-AWEZNQCLSA-N 1 0 237.343 2.231 20 10 BECDRO CCc1cccc(C[NH2+]CC2CCOCC2)c1O ZINC000691460002 969958223 /nfs/dbraw/zinc/95/82/23/969958223.db2.gz ONDBYYCDHNLRHF-UHFFFAOYSA-N 1 0 249.354 2.471 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2CO[C@@H](C)C2)c1O ZINC000691483522 970009369 /nfs/dbraw/zinc/00/93/69/970009369.db2.gz QDSQVDDXVMAOJH-GXFFZTMASA-N 1 0 235.327 2.222 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1O ZINC000691483599 970010517 /nfs/dbraw/zinc/01/05/17/970010517.db2.gz RJSGJOKJAMGMNK-SMDDNHRTSA-N 1 0 249.354 2.469 20 10 BECDRO C[C@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001170102777 970307670 /nfs/dbraw/zinc/30/76/70/970307670.db2.gz CGQRLGSWEJFRSC-CMPLNLGQSA-N 1 0 235.327 2.419 20 10 BECDRO C1=C(c2ccc(N3CCCC3)cc2)C[NH2+]C1 ZINC001243110317 970349879 /nfs/dbraw/zinc/34/98/79/970349879.db2.gz DCQHKOJNFLTWJQ-UHFFFAOYSA-N 1 0 214.312 2.273 20 10 BECDRO Oc1ccccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000400535642 970599991 /nfs/dbraw/zinc/59/99/91/970599991.db2.gz JWTFRAATQUNZQS-LBPRGKRZSA-N 1 0 235.327 2.299 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCOC1 ZINC000401557953 970705737 /nfs/dbraw/zinc/70/57/37/970705737.db2.gz DZWMHCLMUZZYME-LBPRGKRZSA-N 1 0 221.300 2.003 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCCOC2)c1 ZINC000401592606 970710568 /nfs/dbraw/zinc/71/05/68/970710568.db2.gz XSRJHAXOKRVSQI-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC001327840234 972756105 /nfs/dbraw/zinc/75/61/05/972756105.db2.gz MZFZULOGMYHOTE-ZJUUUORDSA-N 1 0 240.322 2.037 20 10 BECDRO Oc1cc(O)c(C[NH+]2CCCCCC2)c(O)c1 ZINC001144499159 972847164 /nfs/dbraw/zinc/84/71/64/972847164.db2.gz CQYWEBUMLGRAQR-UHFFFAOYSA-N 1 0 237.299 2.179 20 10 BECDRO Oc1cc(O)c(C[N@@H+]2CCC3(CCC3)C2)c(O)c1 ZINC001144514895 972859193 /nfs/dbraw/zinc/85/91/93/972859193.db2.gz WVFNDKAIBKCRJR-UHFFFAOYSA-N 1 0 249.310 2.179 20 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Cc1c[nH+]ccc1Nc1ccc(F)cc1O ZINC001174537386 976819294 /nfs/dbraw/zinc/81/92/94/976819294.db2.gz DFXGVYMDTCIEGX-UHFFFAOYSA-N 1 0 218.231 2.400 20 10 BECDRO Cc1cc(Nc2ccc(F)cc2O)cc[nH+]1 ZINC001174655686 976949328 /nfs/dbraw/zinc/94/93/28/976949328.db2.gz PNTXLOMWGUMROI-UHFFFAOYSA-N 1 0 218.231 2.400 20 10 BECDRO CC(=O)c1cccc(O)c1Nc1cc[nH+]c(C)c1 ZINC001174656226 976949801 /nfs/dbraw/zinc/94/98/01/976949801.db2.gz HUKHDCZZPOMNOP-UHFFFAOYSA-N 1 0 242.278 2.464 20 10 BECDRO Cc1cc(Nc2ccccc2O)cc[nH+]1 ZINC001174657122 976951619 /nfs/dbraw/zinc/95/16/19/976951619.db2.gz OCUAQHBZWVZMBE-UHFFFAOYSA-N 1 0 200.241 2.261 20 10 BECDRO Cc1cc(Nc2cccc(F)c2O)cc[nH+]1 ZINC001174657628 976953045 /nfs/dbraw/zinc/95/30/45/976953045.db2.gz YPRMEQKJWQYUBD-UHFFFAOYSA-N 1 0 218.231 2.400 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)c1O ZINC001231592278 977641300 /nfs/dbraw/zinc/64/13/00/977641300.db2.gz GLQKADMQSPDHLY-DGCLKSJQSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@H](O)C[C@H]2C)c1O ZINC001231592283 977643826 /nfs/dbraw/zinc/64/38/26/977643826.db2.gz GLQKADMQSPDHLY-YPMHNXCESA-N 1 0 235.327 2.046 20 10 BECDRO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(O)cc1O ZINC001231638202 977657924 /nfs/dbraw/zinc/65/79/24/977657924.db2.gz WJQZZVOYNAQMTN-GXSJLCMTSA-N 1 0 249.310 2.091 20 10 BECDRO COC[C@H]1CC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231850145 977756593 /nfs/dbraw/zinc/75/65/93/977756593.db2.gz KTWCTDAXWMXWIF-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(C[N@H+]2C[C@H](O)CC[C@H]2C)c(O)c1 ZINC001231841912 977760443 /nfs/dbraw/zinc/76/04/43/977760443.db2.gz GXAGBWJTTDAUIT-CHWSQXEVSA-N 1 0 249.354 2.354 20 10 BECDRO CC(=O)C[N@@H+](C)Cc1c(C)cc(C)cc1O ZINC001231843343 977760649 /nfs/dbraw/zinc/76/06/49/977760649.db2.gz WJKKQDVMCDHSQE-UHFFFAOYSA-N 1 0 221.300 2.030 20 10 BECDRO COCC[N@H+](C)Cc1c(C)cc(C)cc1O ZINC001231842049 977761963 /nfs/dbraw/zinc/76/19/63/977761963.db2.gz NQCCUJHEAUDSJO-UHFFFAOYSA-N 1 0 223.316 2.087 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCC(=O)[C@@H](C)C2)c(O)c1 ZINC001231843309 977765803 /nfs/dbraw/zinc/76/58/03/977765803.db2.gz VLDATGNCUWTSKT-LBPRGKRZSA-N 1 0 247.338 2.420 20 10 BECDRO C[C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233008793 978405809 /nfs/dbraw/zinc/40/58/09/978405809.db2.gz HHZCVESTLFKOMC-VIFPVBQESA-N 1 0 237.299 2.035 20 10 BECDRO CC(C)c1ccc(O)c(C[N@H+](CCO)C2CC2)c1 ZINC001180152708 978837532 /nfs/dbraw/zinc/83/75/32/978837532.db2.gz BIRMCZJIZOSQSA-UHFFFAOYSA-N 1 0 249.354 2.472 20 10 BECDRO CC(C)c1ccc(O)c(C[NH+]2CCC(O)CC2)c1 ZINC001180359351 978863355 /nfs/dbraw/zinc/86/33/55/978863355.db2.gz ISSGUKLMXMFLRM-UHFFFAOYSA-N 1 0 249.354 2.472 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H](O)C2CC2)c1 ZINC001181497769 979119708 /nfs/dbraw/zinc/11/97/08/979119708.db2.gz ODHMCNWROCNMIF-HNNXBMFYSA-N 1 0 249.354 2.376 20 10 BECDRO CCC[C@@H]1CNCC[N@@H+]1Cc1c(C)cccc1O ZINC001236135882 979410052 /nfs/dbraw/zinc/41/00/52/979410052.db2.gz RAGTYJVDGMDPAD-CYBMUJFWSA-N 1 0 248.370 2.275 20 10 BECDRO CC(C)c1ccc(CN2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236173923 979436894 /nfs/dbraw/zinc/43/68/94/979436894.db2.gz NOTQFMJUZQOJDV-ZDUSSCGKSA-N 1 0 234.343 2.049 20 10 BECDRO Cc1cc(C)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC001236424632 979594344 /nfs/dbraw/zinc/59/43/44/979594344.db2.gz PBQHXIHXGDODBZ-STQMWFEESA-N 1 0 248.370 2.191 20 10 BECDRO Cc1cc(C)c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(O)c1 ZINC001236579001 979654773 /nfs/dbraw/zinc/65/47/73/979654773.db2.gz PBQHXIHXGDODBZ-CHWSQXEVSA-N 1 0 248.370 2.191 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@H]2COC)c(O)c1 ZINC001236786400 979725057 /nfs/dbraw/zinc/72/50/57/979725057.db2.gz BOORHCPOQKZDOW-ZDUSSCGKSA-N 1 0 235.327 2.175 20 10 BECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]2C)cc1OC ZINC001236749721 979725942 /nfs/dbraw/zinc/72/59/42/979725942.db2.gz LRVUWUOEEZZVSY-SECBINFHSA-N 1 0 237.299 2.004 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c(O)c1 ZINC001236789632 979728099 /nfs/dbraw/zinc/72/80/99/979728099.db2.gz BWKCOWXIYKRHBA-FZMZJTMJSA-N 1 0 249.354 2.300 20 10 BECDRO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2)c(O)c1 ZINC001236789569 979729374 /nfs/dbraw/zinc/72/93/74/979729374.db2.gz YKSGVQWYCGRWET-CQSZACIVSA-N 1 0 248.370 2.091 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c(O)c1 ZINC001236782679 979732028 /nfs/dbraw/zinc/73/20/28/979732028.db2.gz CUZRAVUAWIMNDV-HNNXBMFYSA-N 1 0 249.354 2.159 20 10 BECDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](F)C2)c(O)c1 ZINC001236807743 979738562 /nfs/dbraw/zinc/73/85/62/979738562.db2.gz KKWKLTLPCKLHNR-SNVBAGLBSA-N 1 0 239.290 2.253 20 10 BECDRO COc1cc(O)c(C[NH+]2CC=CC2)c(Cl)c1 ZINC001236798868 979739535 /nfs/dbraw/zinc/73/95/35/979739535.db2.gz PVKQZBYPYQYUNA-UHFFFAOYSA-N 1 0 239.702 2.426 20 10 BECDRO CCc1ccc(CN2CC(C)([NH+](C)C)C2)c(O)c1 ZINC001236795472 979741696 /nfs/dbraw/zinc/74/16/96/979741696.db2.gz VFOYVTMLPAHSOK-UHFFFAOYSA-N 1 0 248.370 2.091 20 10 BECDRO CCc1ccc(CN(C)C[C@@H]([NH3+])CC)c(O)c1 ZINC001236883852 979778051 /nfs/dbraw/zinc/77/80/51/979778051.db2.gz GLLYQFZYRIYAMJ-ZDUSSCGKSA-N 1 0 236.359 2.124 20 10 BECDRO CCOc1ccc(C[N@@H+]2CC[C@@H]2C)c(O)c1 ZINC001237050127 979812362 /nfs/dbraw/zinc/81/23/62/979812362.db2.gz PUUXUCXSSFKIBY-JTQLQIEISA-N 1 0 221.300 2.385 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC001237484848 979910601 /nfs/dbraw/zinc/91/06/01/979910601.db2.gz IUWCMWXQMHUKAZ-NEPJUHHUSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CC2(C1)CCCCO2 ZINC001237485049 979911997 /nfs/dbraw/zinc/91/19/97/979911997.db2.gz LONDYNDFCIXCGA-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001237486239 979912680 /nfs/dbraw/zinc/91/26/80/979912680.db2.gz ZJSUBBPLMZCCPP-IUODEOHRSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001237489473 979914755 /nfs/dbraw/zinc/91/47/55/979914755.db2.gz BJOYHACGBMROHQ-HNNXBMFYSA-N 1 0 247.338 2.456 20 10 BECDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC1 ZINC001237619283 979978354 /nfs/dbraw/zinc/97/83/54/979978354.db2.gz MEDDQIWUTIYLMG-UHFFFAOYSA-N 1 0 215.655 2.390 20 10 BECDRO COC[C@@H]1CC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238066306 980138893 /nfs/dbraw/zinc/13/88/93/980138893.db2.gz MAIAYJAGMFTFJW-LBPRGKRZSA-N 1 0 239.290 2.060 20 10 BECDRO C[C@@H](NCc1ccc(N2CCCC2)cc1)[C@H](C)[NH3+] ZINC001345106369 980550127 /nfs/dbraw/zinc/55/01/27/980550127.db2.gz YIAOOQPGMWSHHB-QWHCGFSZSA-N 1 0 247.386 2.112 20 10 BECDRO Cn1ccc2ccc(-c3cnc(C[NH3+])nc3)cc21 ZINC001240574297 981484931 /nfs/dbraw/zinc/48/49/31/981484931.db2.gz DNJRIPPOPOSVRB-UHFFFAOYSA-N 1 0 238.294 2.094 20 10 BECDRO COc1cc(C)cc(C[NH2+]C2(C)CC2)c1O ZINC001350315865 981922021 /nfs/dbraw/zinc/92/20/21/981922021.db2.gz HOWHXGOQOFAOAJ-UHFFFAOYSA-N 1 0 221.300 2.351 20 10 BECDRO C[C@H](O)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001251961244 983035727 /nfs/dbraw/zinc/03/57/27/983035727.db2.gz AGSYYBWBVIQEJY-ZDUSSCGKSA-N 1 0 248.370 2.099 20 10 BECDRO C[NH2+][C@H](C)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001356083276 983572105 /nfs/dbraw/zinc/57/21/05/983572105.db2.gz MLRBVFWRJLCUSR-GFCCVEGCSA-N 1 0 248.370 2.099 20 10 BECDRO C1=C(c2ccc(N3CCSCC3)cc2)C[NH2+]C1 ZINC001243115485 984585742 /nfs/dbraw/zinc/58/57/42/984585742.db2.gz MHTVPMPITYLRGB-UHFFFAOYSA-N 1 0 246.379 2.226 20 10 BECDRO CCC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001257307568 984878935 /nfs/dbraw/zinc/87/89/35/984878935.db2.gz QWIKNQROJXWLCQ-JTQLQIEISA-N 1 0 223.316 2.419 20 10 BECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CO1 ZINC000688488543 985659729 /nfs/dbraw/zinc/65/97/29/985659729.db2.gz QHFRRIVCBVTJGE-KBPBESRZSA-N 1 0 247.338 2.279 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC001462560911 986435962 /nfs/dbraw/zinc/43/59/62/986435962.db2.gz TWSLHKGTJATBNS-YEORSEQZSA-N 1 0 249.354 2.376 20 10 BECDRO Nc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC001580443389 986852137 /nfs/dbraw/zinc/85/21/37/986852137.db2.gz BBNUNMHHVNHTHF-UHFFFAOYSA-N 1 0 240.306 2.490 20 10 BECDRO COC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1O ZINC001255564360 987013031 /nfs/dbraw/zinc/01/30/31/987013031.db2.gz XKCSMSNDSHBSGQ-LLVKDONJSA-N 1 0 223.316 2.134 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1O ZINC000691458393 987286150 /nfs/dbraw/zinc/28/61/50/987286150.db2.gz CBOFJWWEXCXQGZ-SMDDNHRTSA-N 1 0 249.354 2.205 20 10 BECDRO COc1ccc(C[NH2+]CCCN2CCC2)cc1C ZINC000697373798 987353472 /nfs/dbraw/zinc/35/34/72/987353472.db2.gz VHVDMOKNDOLWHD-UHFFFAOYSA-N 1 0 248.370 2.189 20 10 BECDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC001116505509 987608250 /nfs/dbraw/zinc/60/82/50/987608250.db2.gz IOUAGAUWFAFPGR-KGLIPLIRSA-N 1 0 248.370 2.355 20 10 BECDRO Cc1cc(C)c(CN[C@H]2CC[C@H](C)[NH2+]C2)c(O)c1 ZINC001246344786 987752954 /nfs/dbraw/zinc/75/29/54/987752954.db2.gz SKSPSGCMNFKUPK-STQMWFEESA-N 1 0 248.370 2.239 20 10 BECDRO CCN(Cc1ccccc1O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246858070 988595375 /nfs/dbraw/zinc/59/53/75/988595375.db2.gz AOSLJIYKZOJPMS-TZMCWYRMSA-N 1 0 248.370 2.355 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H](C)CN ZINC001325756128 989255240 /nfs/dbraw/zinc/25/52/40/989255240.db2.gz QCAPTHDKOBVPQG-AXFHLTTASA-N 1 0 234.343 2.186 20 10 BECDRO C[C@H]1CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138496589 990964815 /nfs/dbraw/zinc/96/48/15/990964815.db2.gz UPWGMHQWIRKYBE-ZDUSSCGKSA-N 1 0 246.354 2.117 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2ccno2)c1 ZINC001308868290 991189776 /nfs/dbraw/zinc/18/97/76/991189776.db2.gz FOJQHRRFLAEUCC-LLVKDONJSA-N 1 0 246.310 2.409 20 10 BECDRO Cc1ccc(C[NH2+]Cc2ccc[nH]c2=O)c(O)c1 ZINC001308889325 991202662 /nfs/dbraw/zinc/20/26/62/991202662.db2.gz NZKMZDKJHKZDME-UHFFFAOYSA-N 1 0 244.294 2.091 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001140058822 991506298 /nfs/dbraw/zinc/50/62/98/991506298.db2.gz NBGIYMKTPVIJKI-UWJYBYFXSA-N 1 0 239.265 2.464 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCC3(COC3)C2)c1O ZINC001140178725 991549564 /nfs/dbraw/zinc/54/95/64/991549564.db2.gz VSXCJMFZLWCJRY-UHFFFAOYSA-N 1 0 247.338 2.231 20 10 BECDRO CCN1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140179597 991549859 /nfs/dbraw/zinc/54/98/59/991549859.db2.gz GKUMYMWABSTQTK-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO Cc1ccc(C)c(C[N@@H+](C)CCN(C)C)c1O ZINC001140179204 991553709 /nfs/dbraw/zinc/55/37/09/991553709.db2.gz BTBAPUONBJEEQD-UHFFFAOYSA-N 1 0 236.359 2.002 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCOCC23CC3)c1O ZINC001140183813 991555285 /nfs/dbraw/zinc/55/52/85/991555285.db2.gz JAMWARLPWZWRCU-UHFFFAOYSA-N 1 0 247.338 2.374 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1O ZINC001140184692 991555843 /nfs/dbraw/zinc/55/58/43/991555843.db2.gz FBDMWFQXFOTGKR-CHWSQXEVSA-N 1 0 247.338 2.372 20 10 BECDRO C[N@H+](Cc1ccc(Cl)cc1O)[C@@H]1CCOC1 ZINC001140466644 991643862 /nfs/dbraw/zinc/64/38/62/991643862.db2.gz JDOXXGKWUSRFPV-LLVKDONJSA-N 1 0 241.718 2.266 20 10 BECDRO COC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140468350 991646915 /nfs/dbraw/zinc/64/69/15/991646915.db2.gz HWRZAJMIEMDSOD-LLVKDONJSA-N 1 0 241.718 2.266 20 10 BECDRO COc1cc(C)c(C[NH2+]CCC(F)F)c(O)c1 ZINC001561047729 991705697 /nfs/dbraw/zinc/70/56/97/991705697.db2.gz YMCUDVAZFPLEPE-UHFFFAOYSA-N 1 0 245.269 2.454 20 10 BECDRO CC(C)[C@H]1CN(Cc2ccc(N)cc2)CC[N@@H+]1C ZINC001262487708 992891323 /nfs/dbraw/zinc/89/13/23/992891323.db2.gz BQVPNXBIIAVLNE-OAHLLOKOSA-N 1 0 247.386 2.041 20 10 BECDRO C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1O ZINC000392793591 993882980 /nfs/dbraw/zinc/88/29/80/993882980.db2.gz MROIMLGDXNEFQX-JTQLQIEISA-N 1 0 244.294 2.344 20 10 BECDRO CC[N@@H+](Cc1ccc(N)cc1)C[C@H]1CCOC1 ZINC000041079469 1171165253 /nfs/dbraw/zinc/16/52/53/1171165253.db2.gz XFHGNDXYZGRYRC-CYBMUJFWSA-N 1 0 234.343 2.127 20 10 BECDRO Cc1cc(C[N@@H+]2CC[C@](C)(O)C2)ccc1N(C)C ZINC000292895321 178003903 /nfs/dbraw/zinc/00/39/03/178003903.db2.gz VMMIENNDFZCCJH-HNNXBMFYSA-N 1 0 248.370 2.018 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CO)C2)cc1C ZINC000154579701 178195853 /nfs/dbraw/zinc/19/58/53/178195853.db2.gz BNNFIXACZIEAHF-CYBMUJFWSA-N 1 0 249.354 2.213 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1C ZINC000189347832 178197075 /nfs/dbraw/zinc/19/70/75/178197075.db2.gz FMQGBMZMTDRNJS-KGLIPLIRSA-N 1 0 249.354 2.258 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H](C)CF)cc1C ZINC000288421186 178197685 /nfs/dbraw/zinc/19/76/85/178197685.db2.gz JSLUMWKKIKWGFA-JTQLQIEISA-N 1 0 211.280 2.457 20 10 BECDRO CN(CC[NH+]1CCCCC1)Cc1ccccc1O ZINC000077284317 398255861 /nfs/dbraw/zinc/25/58/61/398255861.db2.gz GAURXRNOIOWFGQ-UHFFFAOYSA-N 1 0 248.370 2.310 20 10 BECDRO CC[C@H]([NH2+]CC(C)(C)O)c1ccccc1O ZINC000083461445 398282812 /nfs/dbraw/zinc/28/28/12/398282812.db2.gz KSLFBVCENOEVTH-NSHDSACASA-N 1 0 223.316 2.204 20 10 BECDRO CCC(CC)[NH2+]Cc1ccc(O)cc1O ZINC000019883820 168390275 /nfs/dbraw/zinc/39/02/75/168390275.db2.gz WYOFWWGAKIPGIZ-UHFFFAOYSA-N 1 0 209.289 2.376 20 10 BECDRO CCOc1cccc(C[N@H+](C)CC)c1O ZINC000132548019 398306632 /nfs/dbraw/zinc/30/66/32/398306632.db2.gz HTXXLWAMEAQSFM-UHFFFAOYSA-N 1 0 209.289 2.243 20 10 BECDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000119901309 398336425 /nfs/dbraw/zinc/33/64/25/398336425.db2.gz YSPYIBVGECSNAV-RISCZKNCSA-N 1 0 234.343 2.020 20 10 BECDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CCCO1 ZINC000020206260 342977273 /nfs/dbraw/zinc/97/72/73/342977273.db2.gz ONTDIZSHVIFUJR-ZWNOBZJWSA-N 1 0 221.300 2.049 20 10 BECDRO CC[C@H]([NH2+]C[C@@H](C)N(C)C)c1ccccc1O ZINC000038088663 343370295 /nfs/dbraw/zinc/37/02/95/343370295.db2.gz JKEBYISQFMJCLO-YPMHNXCESA-N 1 0 236.359 2.383 20 10 BECDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccccc1O ZINC000037158183 343337294 /nfs/dbraw/zinc/33/72/94/343337294.db2.gz UHBGXNDXCCHFET-VXGBXAGGSA-N 1 0 245.326 2.328 20 10 BECDRO COc1ccc(C[NH2+]C[C@H]2CCOC2)cc1C ZINC000037738925 187260440 /nfs/dbraw/zinc/26/04/40/187260440.db2.gz XKVBTMVNAVYRBC-CYBMUJFWSA-N 1 0 235.327 2.130 20 10 BECDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000040773751 343409184 /nfs/dbraw/zinc/40/91/84/343409184.db2.gz LMHYWINLSCFBQN-VXGBXAGGSA-N 1 0 237.343 2.450 20 10 BECDRO CN(C)c1ccc(C[N@H+](CCO)C2CCC2)cc1 ZINC000276133144 187338953 /nfs/dbraw/zinc/33/89/53/187338953.db2.gz ZLTLWNQSLZQFTE-UHFFFAOYSA-N 1 0 248.370 2.099 20 10 BECDRO CCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879094 343456751 /nfs/dbraw/zinc/45/67/51/343456751.db2.gz ZPTDTFFCKWIVOT-UHFFFAOYSA-N 1 0 237.299 2.401 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CCCCO)c(O)c1C ZINC000279485381 187341986 /nfs/dbraw/zinc/34/19/86/187341986.db2.gz LEZZTZPPBYQYHJ-LBPRGKRZSA-N 1 0 237.343 2.432 20 10 BECDRO Oc1ccc(Cl)cc1C[NH+]1CCC(O)CC1 ZINC000128060609 343787691 /nfs/dbraw/zinc/78/76/91/343787691.db2.gz WPFCPYRIIYFZBD-UHFFFAOYSA-N 1 0 241.718 2.002 20 10 BECDRO CC(C)C[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000112642528 344648921 /nfs/dbraw/zinc/64/89/21/344648921.db2.gz IGUQDPFLEHHWMN-UHFFFAOYSA-N 1 0 248.370 2.166 20 10 BECDRO COc1cc(O)c(C[NH+]2CCCC2)cc1OC ZINC000159459702 187301608 /nfs/dbraw/zinc/30/16/08/187301608.db2.gz NZZDYRRNTVKPGY-UHFFFAOYSA-N 1 0 237.299 2.005 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)CC[C@H](C)O)cc1C ZINC000093481376 345672825 /nfs/dbraw/zinc/67/28/25/345672825.db2.gz FJAUUEFKXALBDE-LBPRGKRZSA-N 1 0 237.343 2.212 20 10 BECDRO Cc1cccc(C[N@@H+](C)CC2(O)CCCC2)c1O ZINC000180314648 179063828 /nfs/dbraw/zinc/06/38/28/179063828.db2.gz BSTPPAYNFUSPQU-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cccc(C[NH+]2CCC(C)(CO)CC2)c1O ZINC000184071953 179074275 /nfs/dbraw/zinc/07/42/75/179074275.db2.gz OFDUQHHSDQCUMO-UHFFFAOYSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1cccc(C[N@H+](C)CCCCCO)c1O ZINC000279443819 179066391 /nfs/dbraw/zinc/06/63/91/179066391.db2.gz POSYPTRJZAVUEY-UHFFFAOYSA-N 1 0 237.343 2.295 20 10 BECDRO Cc1cccc(C[N@@H+]2CCOC3(CCC3)C2)c1O ZINC000180417204 179079270 /nfs/dbraw/zinc/07/92/70/179079270.db2.gz FLLLQOZXSKHPMX-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1O ZINC000190303528 179097717 /nfs/dbraw/zinc/09/77/17/179097717.db2.gz OXYIWWGLQNWCHJ-TZMCWYRMSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+]CCC2(O)CCC2)c1O ZINC000285236345 179089725 /nfs/dbraw/zinc/08/97/25/179089725.db2.gz SIEYQVJKGKDJNS-UHFFFAOYSA-N 1 0 235.327 2.095 20 10 BECDRO Cc1cccc(C[NH2+]CC2(O)CCCCC2)c1O ZINC000124760572 179090045 /nfs/dbraw/zinc/09/00/45/179090045.db2.gz RYMUZRSMJYGQPK-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO Cc1cccc(C[NH2+]CC(C)(C)N(C)C)c1O ZINC000124654793 179090543 /nfs/dbraw/zinc/09/05/43/179090543.db2.gz MOPYNYQYZQDEBO-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO Cc1cccc(C[NH2+]CC[C@H](C)CCO)c1O ZINC000295085462 179091702 /nfs/dbraw/zinc/09/17/02/179091702.db2.gz IQRDYQSXFLPZOL-NSHDSACASA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cccc(C[NH2+][C@H](C)CCCCO)c1O ZINC000294929306 179100579 /nfs/dbraw/zinc/10/05/79/179100579.db2.gz BKTWUNNAEAIKDP-GFCCVEGCSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccccc1O ZINC000163988262 346585775 /nfs/dbraw/zinc/58/57/75/346585775.db2.gz DGRMXFCVNKCNOQ-GHMZBOCLSA-N 1 0 223.316 2.204 20 10 BECDRO COc1ccc(C[NH2+]CC2=CCCOC2)cc1C ZINC000126943691 191007965 /nfs/dbraw/zinc/00/79/65/191007965.db2.gz FPBCZVBNFQNXRQ-UHFFFAOYSA-N 1 0 247.338 2.440 20 10 BECDRO Cc1nccn1CC[N@@H+](C)Cc1ccccc1O ZINC000270941661 180252314 /nfs/dbraw/zinc/25/23/14/180252314.db2.gz YPHOKFQDTMRXSX-UHFFFAOYSA-N 1 0 245.326 2.029 20 10 BECDRO Cc1ncsc1CC[NH2+]Cc1ccccc1O ZINC000228415461 180309293 /nfs/dbraw/zinc/30/92/93/180309293.db2.gz UXVUSRYLYUNODF-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000527783804 323690839 /nfs/dbraw/zinc/69/08/39/323690839.db2.gz VOKSFOFLWNUMCB-KGLIPLIRSA-N 1 0 235.327 2.358 20 10 BECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1C ZINC000234931810 188018322 /nfs/dbraw/zinc/01/83/22/188018322.db2.gz YCKNCSSWAUNGJG-UONOGXRCSA-N 1 0 249.354 2.254 20 10 BECDRO CC1(C)[C@H]([NH2+]Cc2ccccc2O)[C@H]2CCO[C@@H]21 ZINC000134994579 188049686 /nfs/dbraw/zinc/04/96/86/188049686.db2.gz AVXKSXVKZQUNDO-BNOWGMLFSA-N 1 0 247.338 2.295 20 10 BECDRO CC(C)(CO)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295834975 188268934 /nfs/dbraw/zinc/26/89/34/188268934.db2.gz ADPRGDJHGCBURC-GFCCVEGCSA-N 1 0 249.354 2.378 20 10 BECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000271099349 188376287 /nfs/dbraw/zinc/37/62/87/188376287.db2.gz OKCGVEGGJHQNEL-HNNXBMFYSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1cccc(C[N@@H+](C(C)C)C2COC2)c1O ZINC000296040252 188394205 /nfs/dbraw/zinc/39/42/05/188394205.db2.gz NVUIUGMONHXLPY-UHFFFAOYSA-N 1 0 235.327 2.310 20 10 BECDRO CC[C@@H](O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297080001 353835691 /nfs/dbraw/zinc/83/56/91/353835691.db2.gz WSEJBNMZLQWFFV-VXGBXAGGSA-N 1 0 235.327 2.130 20 10 BECDRO COc1ccc(N2CCC([NH2+]C3CC3)CC2)cc1 ZINC000132709156 358733942 /nfs/dbraw/zinc/73/39/42/358733942.db2.gz DNTXUGMPFLBZPM-UHFFFAOYSA-N 1 0 246.354 2.416 20 10 BECDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCOCC1 ZINC000132725237 358734360 /nfs/dbraw/zinc/73/43/60/358734360.db2.gz ZYWDKYCMKKJFLD-UHFFFAOYSA-N 1 0 241.718 2.268 20 10 BECDRO Oc1ccccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000134197422 358782868 /nfs/dbraw/zinc/78/28/68/358782868.db2.gz IHBLQHDQQIJWLH-CQSZACIVSA-N 1 0 246.354 2.062 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000093820625 360281406 /nfs/dbraw/zinc/28/14/06/360281406.db2.gz KVMJAEPLCHWCBO-OAHLLOKOSA-N 1 0 247.338 2.313 20 10 BECDRO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296587162 364785196 /nfs/dbraw/zinc/78/51/96/364785196.db2.gz WMARVVUNTSGSAR-WXHSDQCUSA-N 1 0 247.338 2.394 20 10 BECDRO CCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000132578600 169079895 /nfs/dbraw/zinc/07/98/95/169079895.db2.gz IYDWJSYOYNOEJC-UHFFFAOYSA-N 1 0 209.289 2.243 20 10 BECDRO Oc1ccc(C[NH2+]C2CCCC2)cc1O ZINC000019883360 183268410 /nfs/dbraw/zinc/26/84/10/183268410.db2.gz WNGVNYHIYGQEIA-UHFFFAOYSA-N 1 0 207.273 2.130 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cc[nH]n1 ZINC000041014235 183272741 /nfs/dbraw/zinc/27/27/41/183272741.db2.gz AGRVNSIDKBFTQO-UHFFFAOYSA-N 1 0 237.690 2.059 20 10 BECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC=CCC1)OCO2 ZINC000080123409 183260879 /nfs/dbraw/zinc/26/08/79/183260879.db2.gz XFMHOMCMXUILOJ-LLVKDONJSA-N 1 0 247.294 2.319 20 10 BECDRO Oc1cc2c(cc1C[NH2+]C1CCCC1)OCO2 ZINC000042879048 183260948 /nfs/dbraw/zinc/26/09/48/183260948.db2.gz FYZCFZTVGRQTDS-UHFFFAOYSA-N 1 0 235.283 2.153 20 10 BECDRO Oc1cc2c(cc1C[NH2+][C@H]1CC=CCC1)OCO2 ZINC000080123402 183261092 /nfs/dbraw/zinc/26/10/92/183261092.db2.gz XFMHOMCMXUILOJ-NSHDSACASA-N 1 0 247.294 2.319 20 10 BECDRO Oc1cc2c(cc1C[NH2+]Cc1ccco1)OCO2 ZINC000042878967 183261296 /nfs/dbraw/zinc/26/12/96/183261296.db2.gz KLDKDMGPXZBPSG-UHFFFAOYSA-N 1 0 247.250 2.004 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CC1CC1)CC2 ZINC000295928718 183297508 /nfs/dbraw/zinc/29/75/08/183297508.db2.gz KDWJBOXWKYOHRJ-LLVKDONJSA-N 1 0 203.285 2.379 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000297170152 183297716 /nfs/dbraw/zinc/29/77/16/183297716.db2.gz DKAOPSRPCKDYMW-VXGBXAGGSA-N 1 0 233.311 2.148 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCCOC1)CC2 ZINC000296022346 183298149 /nfs/dbraw/zinc/29/81/49/183298149.db2.gz PPXMBBRLEIMERI-DGCLKSJQSA-N 1 0 247.338 2.396 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000375331648 183301353 /nfs/dbraw/zinc/30/13/53/183301353.db2.gz LKIYXBVMCQEJSX-AWEZNQCLSA-N 1 0 233.311 2.003 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1CF ZINC000293989908 183301980 /nfs/dbraw/zinc/30/19/80/183301980.db2.gz LOSMSUORXMGJJE-NSHDSACASA-N 1 0 209.264 2.326 20 10 BECDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccn1 ZINC000037362844 183352688 /nfs/dbraw/zinc/35/26/88/183352688.db2.gz NWHXPHCZDOKRCG-UHFFFAOYSA-N 1 0 240.306 2.306 20 10 BECDRO c1cc(C[NH2+]C[C@H]2CCSC2)cc2c1OCC2 ZINC000226377693 183368080 /nfs/dbraw/zinc/36/80/80/183368080.db2.gz SDBKOKZMLFCFKI-GFCCVEGCSA-N 1 0 249.379 2.464 20 10 BECDRO c1cc(C[NH2+]C[C@@H]2CCCOC2)cc2c1OCC2 ZINC000038045166 183368271 /nfs/dbraw/zinc/36/82/71/183368271.db2.gz GVRASQPIFAVEJC-ZDUSSCGKSA-N 1 0 247.338 2.138 20 10 BECDRO CCCOc1ccc(C[NH2+]CCF)c(O)c1 ZINC000280609167 169318215 /nfs/dbraw/zinc/31/82/15/169318215.db2.gz DGVWCCDKCYKBHJ-UHFFFAOYSA-N 1 0 227.279 2.240 20 10 BECDRO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccccc1O ZINC001644183960 1172533200 /nfs/dbraw/zinc/53/32/00/1172533200.db2.gz VMCGRVMUADLIIQ-SNVBAGLBSA-N 1 0 243.310 2.220 20 10 BECDRO CC[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628934 383866939 /nfs/dbraw/zinc/86/69/39/383866939.db2.gz WHKCSGAYJHVSRC-WDEREUQCSA-N 1 0 223.316 2.122 20 10 BECDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccccc1O ZINC000037267152 383966550 /nfs/dbraw/zinc/96/65/50/383966550.db2.gz COJBMBZRDXKKEX-LLVKDONJSA-N 1 0 234.343 2.137 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C)c(O)c1 ZINC000038088169 384066509 /nfs/dbraw/zinc/06/65/09/384066509.db2.gz VGCJTBIUIDVLQF-NWDGAFQWSA-N 1 0 236.359 2.301 20 10 BECDRO COC[C@@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC000070955628 384144315 /nfs/dbraw/zinc/14/43/15/384144315.db2.gz ZYYCXYTZZFSQLI-NSHDSACASA-N 1 0 223.316 2.073 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2)c(O)c1 ZINC000041158927 384181614 /nfs/dbraw/zinc/18/16/14/384181614.db2.gz AFPMIFWZOIQGNQ-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO CC[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000132003273 384211733 /nfs/dbraw/zinc/21/17/33/384211733.db2.gz XQOTUARGAFGTEG-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO C[C@H](CCCCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000272391879 384265432 /nfs/dbraw/zinc/26/54/32/384265432.db2.gz IYPOKWRIOXNDMV-GFCCVEGCSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(F)ccc1O ZINC000094618208 384306870 /nfs/dbraw/zinc/30/68/70/384306870.db2.gz JCDJZNORIKRTPK-MWLCHTKSSA-N 1 0 239.290 2.361 20 10 BECDRO CC[C@H]([NH2+]CC1(C)COC1)c1ccccc1O ZINC000094721897 384311029 /nfs/dbraw/zinc/31/10/29/384311029.db2.gz JFEJADUCHWFRHA-LBPRGKRZSA-N 1 0 235.327 2.469 20 10 BECDRO C[N@H+](CCOCC1CC1)Cc1ccccc1O ZINC000119526851 384281320 /nfs/dbraw/zinc/28/13/20/384281320.db2.gz CRLHJAUHGZFMNX-UHFFFAOYSA-N 1 0 235.327 2.251 20 10 BECDRO CC[C@H](CCO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000094949665 384323333 /nfs/dbraw/zinc/32/33/33/384323333.db2.gz GFTWANJAHHDKEX-GFCCVEGCSA-N 1 0 249.354 2.120 20 10 BECDRO CC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134904714 384397961 /nfs/dbraw/zinc/39/79/61/384397961.db2.gz JREGTZXMLWDEAK-PSASIEDQSA-N 1 0 243.734 2.467 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)O)c(O)c1C ZINC000134899793 384398196 /nfs/dbraw/zinc/39/81/96/384398196.db2.gz XDDOVHDHPNBKKI-GXSJLCMTSA-N 1 0 223.316 2.040 20 10 BECDRO C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134913662 384398288 /nfs/dbraw/zinc/39/82/88/384398288.db2.gz CASBAUFVGCNWLF-SFYZADRCSA-N 1 0 229.707 2.077 20 10 BECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCOC1 ZINC000135202095 384422825 /nfs/dbraw/zinc/42/28/25/384422825.db2.gz TWHFMJBJCWTMME-SMDDNHRTSA-N 1 0 247.338 2.136 20 10 BECDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccccc1O ZINC000020125765 384583533 /nfs/dbraw/zinc/58/35/33/384583533.db2.gz KACUXTOKFYCVES-LLVKDONJSA-N 1 0 236.359 2.383 20 10 BECDRO CC[C@H](O)C[NH2+][C@@H](CC)c1ccccc1O ZINC000162330508 384605891 /nfs/dbraw/zinc/60/58/91/384605891.db2.gz DNKLXEYSBRWSJU-JQWIXIFHSA-N 1 0 223.316 2.204 20 10 BECDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000020196017 384595971 /nfs/dbraw/zinc/59/59/71/384595971.db2.gz KWMQUUMVXOUONX-WDEREUQCSA-N 1 0 223.316 2.122 20 10 BECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000020205241 384600572 /nfs/dbraw/zinc/60/05/72/384600572.db2.gz JNBHFLYVHNWYBQ-WFASDCNBSA-N 1 0 248.370 2.410 20 10 BECDRO CSC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000124971599 384688048 /nfs/dbraw/zinc/68/80/48/384688048.db2.gz PQNGRNOWMNPKFF-JTQLQIEISA-N 1 0 237.368 2.463 20 10 BECDRO CC[C@H]([NH2+]CC[C@H](C)O)c1ccccc1O ZINC000082993795 384735361 /nfs/dbraw/zinc/73/53/61/384735361.db2.gz UIRHOQXSLNICJG-JQWIXIFHSA-N 1 0 223.316 2.204 20 10 BECDRO CCN(C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000054110223 384823175 /nfs/dbraw/zinc/82/31/75/384823175.db2.gz XTOAHKYHRDAIPM-GFCCVEGCSA-N 1 0 236.359 2.303 20 10 BECDRO C[N@H+](CCc1ccncc1)Cc1ccccc1O ZINC000084828004 384901941 /nfs/dbraw/zinc/90/19/41/384901941.db2.gz ZECHDVZSZCNNQV-UHFFFAOYSA-N 1 0 242.322 2.462 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1 ZINC000129219053 385123513 /nfs/dbraw/zinc/12/35/13/385123513.db2.gz WDIXTOZLEFHAQI-KBPBESRZSA-N 1 0 248.370 2.002 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000189942283 385197552 /nfs/dbraw/zinc/19/75/52/385197552.db2.gz QYFNPGMYYINFRH-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](C)(O)C2)c1 ZINC000129550045 385161575 /nfs/dbraw/zinc/16/15/75/385161575.db2.gz XRPZXIUSMOHKKR-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO CC[C@@H](C(=O)Nc1ccc(N)cc1)[NH+](CC)CC ZINC000062460849 385172983 /nfs/dbraw/zinc/17/29/83/385172983.db2.gz ZZWKTVSQGDVGSB-ZDUSSCGKSA-N 1 0 249.358 2.328 20 10 BECDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccccc1O ZINC000191660271 385312768 /nfs/dbraw/zinc/31/27/68/385312768.db2.gz XOVSICGDKBWJSJ-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO CC/C=C/C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000294947803 385322453 /nfs/dbraw/zinc/32/24/53/385322453.db2.gz CSVVUCDHIKUOQR-ONEGZZNKSA-N 1 0 235.283 2.177 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](C)O)c1ccc(C)cc1O ZINC000280224576 385281953 /nfs/dbraw/zinc/28/19/53/385281953.db2.gz UYMREXCVQXEGJN-ZYHUDNBSSA-N 1 0 223.316 2.122 20 10 BECDRO CC[C@@H]([NH2+]CCCO)c1ccc(C)cc1O ZINC000280258217 385288104 /nfs/dbraw/zinc/28/81/04/385288104.db2.gz XBIAEJNUDMQNPY-GFCCVEGCSA-N 1 0 223.316 2.124 20 10 BECDRO CO[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000191206385 385293552 /nfs/dbraw/zinc/29/35/52/385293552.db2.gz HSHNDXZTHAETJO-MNOVXSKESA-N 1 0 223.316 2.386 20 10 BECDRO Cc1cc(Cl)cc(C[NH2+]CCF)c1O ZINC000280831005 385375560 /nfs/dbraw/zinc/37/55/60/385375560.db2.gz WVLCENGRIKSCFD-UHFFFAOYSA-N 1 0 217.671 2.413 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCCO)c1 ZINC000193278665 385390705 /nfs/dbraw/zinc/39/07/05/385390705.db2.gz NMUKKJHNOCMZMN-NSHDSACASA-N 1 0 223.316 2.124 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)C)c(O)c1 ZINC000168777177 385387626 /nfs/dbraw/zinc/38/76/26/385387626.db2.gz QFCAVOKSASDPCA-RISCZKNCSA-N 1 0 237.343 2.368 20 10 BECDRO COc1cc(O)c(C[N@H+](C)C2CC2)cc1OC ZINC000179437704 385467011 /nfs/dbraw/zinc/46/70/11/385467011.db2.gz PGEJBKKJZYJMKN-UHFFFAOYSA-N 1 0 237.299 2.004 20 10 BECDRO CCOC[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179583632 385476653 /nfs/dbraw/zinc/47/66/53/385476653.db2.gz YXWVSZRIZQRNFO-GFCCVEGCSA-N 1 0 235.327 2.251 20 10 BECDRO CO[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179749537 385487597 /nfs/dbraw/zinc/48/75/97/385487597.db2.gz BJPHEPAASSHTQC-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO CCCC[N@H+](CCO)Cc1cc(F)ccc1O ZINC000179874329 385496573 /nfs/dbraw/zinc/49/65/73/385496573.db2.gz XOCYIOGWUJUURA-UHFFFAOYSA-N 1 0 241.306 2.126 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@H](C)O1 ZINC000295264097 385513355 /nfs/dbraw/zinc/51/33/55/385513355.db2.gz VGCOJFYMPBDRBU-SCVCMEIPSA-N 1 0 221.300 2.048 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2ccccc2O)CCCO1 ZINC000281253092 385649842 /nfs/dbraw/zinc/64/98/42/385649842.db2.gz MRIPQEOJAXIBDJ-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO CCC[C@H](CCO)C[NH2+]Cc1ccccc1O ZINC000231393406 385799717 /nfs/dbraw/zinc/79/97/17/385799717.db2.gz QWNXOHIOUZSNSI-GFCCVEGCSA-N 1 0 237.343 2.281 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCC[C@H]1O ZINC000272587410 385915002 /nfs/dbraw/zinc/91/50/02/385915002.db2.gz HIJKCXIFKZCQPB-UKRRQHHQSA-N 1 0 249.354 2.375 20 10 BECDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1O ZINC000272575951 385915604 /nfs/dbraw/zinc/91/56/04/385915604.db2.gz UKFLWOWDQVOLTG-GFCCVEGCSA-N 1 0 245.326 2.157 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000219890851 385947652 /nfs/dbraw/zinc/94/76/52/385947652.db2.gz OVYCCUARHWDEED-DGCLKSJQSA-N 1 0 235.327 2.358 20 10 BECDRO C[C@@]1([NH2+]Cc2ccccc2O)CCO[C@H]1C1CC1 ZINC000273057727 385963213 /nfs/dbraw/zinc/96/32/13/385963213.db2.gz DKXYRUXQJSLAII-LSDHHAIUSA-N 1 0 247.338 2.439 20 10 BECDRO CC[C@@H]([NH2+]CCN(C)C)c1ccc(N(C)C)cc1 ZINC000287247113 386107289 /nfs/dbraw/zinc/10/72/89/386107289.db2.gz ZETLLGVFOOAUFN-OAHLLOKOSA-N 1 0 249.402 2.355 20 10 BECDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccccc1O ZINC000225816531 386220200 /nfs/dbraw/zinc/22/02/00/386220200.db2.gz VZWHUTVQFFVSCQ-CQSZACIVSA-N 1 0 237.343 2.279 20 10 BECDRO CCN(CC)[C@H](C)C[NH2+]Cc1ccccc1O ZINC000236870580 386319595 /nfs/dbraw/zinc/31/95/95/386319595.db2.gz XFINNFHNXZHUDH-GFCCVEGCSA-N 1 0 236.359 2.212 20 10 BECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1cn[nH]c1 ZINC000226618302 386343563 /nfs/dbraw/zinc/34/35/63/386343563.db2.gz VPILRMLCKJRYLW-QMMMGPOBSA-N 1 0 235.262 2.105 20 10 BECDRO C[C@@H](CO)CCC[NH2+]Cc1cc(F)ccc1O ZINC000226618432 386344679 /nfs/dbraw/zinc/34/46/79/386344679.db2.gz IZUOJTRMZPFRHT-SNVBAGLBSA-N 1 0 241.306 2.030 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000267629488 386563540 /nfs/dbraw/zinc/56/35/40/386563540.db2.gz JIIAXCDXNFSBPD-ZDUSSCGKSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1N(C)C ZINC000293587912 386660906 /nfs/dbraw/zinc/66/09/06/386660906.db2.gz UFWXBDZJXANEAC-AWEZNQCLSA-N 1 0 248.370 2.018 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H](C)O)c(O)c1 ZINC000293677470 386671245 /nfs/dbraw/zinc/67/12/45/386671245.db2.gz KCLJLYKIBCGRFD-VXGBXAGGSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](C)(O)CC2)c1 ZINC000279648144 386713495 /nfs/dbraw/zinc/71/34/95/386713495.db2.gz KDMFIIWVDKRGOM-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO CC[C@H]1CC[N@@H+]1Cc1cc(OC)ccc1O ZINC000292897631 386744518 /nfs/dbraw/zinc/74/45/18/386744518.db2.gz ZOTKTVXSKYQIJV-NSHDSACASA-N 1 0 221.300 2.385 20 10 BECDRO Cc1cc(C[N@H+](C)[C@@H]2CCOC2)ccc1N(C)C ZINC000293196441 386787574 /nfs/dbraw/zinc/78/75/74/386787574.db2.gz UEBKTIZXCSEIQZ-CQSZACIVSA-N 1 0 248.370 2.282 20 10 BECDRO CO[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1C ZINC000188298633 387267167 /nfs/dbraw/zinc/26/71/67/387267167.db2.gz ZCAROQQQPKBSJS-FZMZJTMJSA-N 1 0 235.327 2.249 20 10 BECDRO CC[C@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1O ZINC000119223127 387553630 /nfs/dbraw/zinc/55/36/30/387553630.db2.gz RXJIUQOPTAXGAI-JSGCOSHPSA-N 1 0 237.343 2.450 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@]23C[C@H]2COC3(C)C)c1 ZINC000527767101 387701524 /nfs/dbraw/zinc/70/15/24/387701524.db2.gz RXIDMXUNPTYURR-SWLSCSKDSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC2COC2)c(O)c1C ZINC000528023047 387828459 /nfs/dbraw/zinc/82/84/59/387828459.db2.gz CCUFOMMPTGPAMA-NSHDSACASA-N 1 0 235.327 2.306 20 10 BECDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000293581501 388390450 /nfs/dbraw/zinc/39/04/50/388390450.db2.gz CAACGHZGQPYTQU-IINYFYTJSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cccc(F)c1[O-] ZINC000295023981 388407947 /nfs/dbraw/zinc/40/79/47/388407947.db2.gz KXGLAFKOKVNFQA-VIFPVBQESA-N 1 0 241.306 2.170 20 10 BECDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccccc1O ZINC000295116526 388408861 /nfs/dbraw/zinc/40/88/61/388408861.db2.gz VVYVNRTXZYEGLW-SNVBAGLBSA-N 1 0 223.316 2.031 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC[C@H](C)CCO)c1 ZINC000295141043 388409473 /nfs/dbraw/zinc/40/94/73/388409473.db2.gz PVGRIEVFFSSGKK-NSHDSACASA-N 1 0 237.343 2.199 20 10 BECDRO CC(C)C[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296207697 388417815 /nfs/dbraw/zinc/41/78/15/388417815.db2.gz ZFBBEXPBOIEETQ-CHWSQXEVSA-N 1 0 249.354 2.376 20 10 BECDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccccc1O ZINC000297434904 388429485 /nfs/dbraw/zinc/42/94/85/388429485.db2.gz VOSKGAARNHSLQC-VXGBXAGGSA-N 1 0 237.343 2.451 20 10 BECDRO CC(C)[C@H](CCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297622526 388430378 /nfs/dbraw/zinc/43/03/78/388430378.db2.gz IZGOUEPSEOJONB-STQMWFEESA-N 1 0 249.354 2.376 20 10 BECDRO CO[C@@H](C)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000264543724 388992473 /nfs/dbraw/zinc/99/24/73/388992473.db2.gz RWSYTBOFYMEHHU-LBPRGKRZSA-N 1 0 236.359 2.267 20 10 BECDRO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1O ZINC000272852010 389035817 /nfs/dbraw/zinc/03/58/17/389035817.db2.gz LFZGVSFFMAODJK-ZWNOBZJWSA-N 1 0 237.343 2.450 20 10 BECDRO CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000077234943 135059931 /nfs/dbraw/zinc/05/99/31/135059931.db2.gz UYBFGOCJEKAHIO-UHFFFAOYSA-N 1 0 234.343 2.227 20 10 BECDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000185816595 397873331 /nfs/dbraw/zinc/87/33/31/397873331.db2.gz NJDICMAYZMVRFE-ITDFMYJTSA-N 1 0 235.327 2.117 20 10 BECDRO CO[C@@H](C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000263831278 398125966 /nfs/dbraw/zinc/12/59/66/398125966.db2.gz VJKJKKABVZECRT-NSHDSACASA-N 1 0 235.327 2.136 20 10 BECDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(N)cc2)C1 ZINC000062976998 1172794793 /nfs/dbraw/zinc/79/47/93/1172794793.db2.gz AQSQIQRFCZMSGY-HNNXBMFYSA-N 1 0 247.386 2.185 20 10 BECDRO C[C@@]1(C[NH2+]Cc2ccccc2O)CCCO1 ZINC000087233587 1173021408 /nfs/dbraw/zinc/02/14/08/1173021408.db2.gz UTMBCDNMQHXBET-ZDUSSCGKSA-N 1 0 221.300 2.051 20 10 BECDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296252888 168008696 /nfs/dbraw/zinc/00/86/96/168008696.db2.gz BHXKYNJDIDZYKB-CYZMBNFOSA-N 1 0 247.338 2.129 20 10 BECDRO CC1=CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000280657418 168100896 /nfs/dbraw/zinc/10/08/96/168100896.db2.gz WYYYSFMXBWGCOA-UHFFFAOYSA-N 1 0 247.294 2.273 20 10 BECDRO CCOCCC[NH2+]Cc1cc(F)ccc1O ZINC000083355402 170380792 /nfs/dbraw/zinc/38/07/92/170380792.db2.gz UOLDKZUBPIQSHB-UHFFFAOYSA-N 1 0 227.279 2.048 20 10 BECDRO CCOCc1cc(C[NH2+]CCF)ccc1OC ZINC000280580127 170458373 /nfs/dbraw/zinc/45/83/73/170458373.db2.gz ACTKQFMKZYLXEG-UHFFFAOYSA-N 1 0 241.306 2.291 20 10 BECDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N)cc1 ZINC000036797830 171110768 /nfs/dbraw/zinc/11/07/68/171110768.db2.gz PVIAWRHNSGFBCG-SMDDNHRTSA-N 1 0 234.343 2.268 20 10 BECDRO CC[C@@](C)(CCO)[NH2+]Cc1ccccc1O ZINC000166042835 171164894 /nfs/dbraw/zinc/16/48/94/171164894.db2.gz OXJYCOBHMROXFV-ZDUSSCGKSA-N 1 0 223.316 2.033 20 10 BECDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000083461962 171184037 /nfs/dbraw/zinc/18/40/37/171184037.db2.gz KQVVSISHPJHXBP-GXFFZTMASA-N 1 0 223.316 2.204 20 10 BECDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000096478414 171184078 /nfs/dbraw/zinc/18/40/78/171184078.db2.gz PSNVBWCMMKSPLZ-CQSZACIVSA-N 1 0 237.343 2.254 20 10 BECDRO CC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879041 171342895 /nfs/dbraw/zinc/34/28/95/171342895.db2.gz CQNJEBYOVAVNMN-QMMMGPOBSA-N 1 0 223.272 2.009 20 10 BECDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000163987927 171561266 /nfs/dbraw/zinc/56/12/66/171561266.db2.gz DGRMXFCVNKCNOQ-QWRGUYRKSA-N 1 0 223.316 2.204 20 10 BECDRO CC[C@@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001652224105 1173048531 /nfs/dbraw/zinc/04/85/31/1173048531.db2.gz ZZMXASYKGDWBCN-ZDUSSCGKSA-N 1 0 237.343 2.376 20 10 BECDRO CCn1nccc1C[N@H+](C)Cc1ccccc1O ZINC000120051111 172264029 /nfs/dbraw/zinc/26/40/29/172264029.db2.gz QWFPRJJKNLZQJU-UHFFFAOYSA-N 1 0 245.326 2.241 20 10 BECDRO C[NH2+]CCCN(C)c1ccc(OC)c(Cl)c1 ZINC000077391607 173347179 /nfs/dbraw/zinc/34/71/79/173347179.db2.gz VWXNLISBYKBMCK-UHFFFAOYSA-N 1 0 242.750 2.394 20 10 BECDRO COCC(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277019373 174073526 /nfs/dbraw/zinc/07/35/26/174073526.db2.gz ZOJYZKRAMILCES-UHFFFAOYSA-N 1 0 249.354 2.384 20 10 BECDRO COCC(C)(C)C[NH2+]Cc1cccc(C)c1O ZINC000292717264 174073671 /nfs/dbraw/zinc/07/36/71/174073671.db2.gz DVZRWXSMWUIDQA-UHFFFAOYSA-N 1 0 237.343 2.463 20 10 BECDRO COCC1([NH2+]Cc2cccc(C)c2O)CCC1 ZINC000284864199 174109543 /nfs/dbraw/zinc/10/95/43/174109543.db2.gz DHPKZOHADDUTJL-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO COCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296177181 174250748 /nfs/dbraw/zinc/25/07/48/174250748.db2.gz XYPIKCMZGCHXOH-LLVKDONJSA-N 1 0 221.300 2.006 20 10 BECDRO COCC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293570634 174280051 /nfs/dbraw/zinc/28/00/51/174280051.db2.gz SQQGSNCEVSJASY-UHFFFAOYSA-N 1 0 236.359 2.139 20 10 BECDRO COc1ccc(CNCCC[NH+](C)C)cc1C ZINC000035052492 175106613 /nfs/dbraw/zinc/10/66/13/175106613.db2.gz XMYAIKQVCURLCX-UHFFFAOYSA-N 1 0 236.359 2.045 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H](C)OC)cc1C ZINC000223905321 175107294 /nfs/dbraw/zinc/10/72/94/175107294.db2.gz GXHPVKYTNZSSLE-LLVKDONJSA-N 1 0 223.316 2.128 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1C ZINC000037738924 175107394 /nfs/dbraw/zinc/10/73/94/175107394.db2.gz XKVBTMVNAVYRBC-ZDUSSCGKSA-N 1 0 235.327 2.130 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CF)c1 ZINC000294086988 175157098 /nfs/dbraw/zinc/15/70/98/175157098.db2.gz RHCMPCZOIDTTGI-NSHDSACASA-N 1 0 239.290 2.335 20 10 BECDRO COc1ccc(O)c(C[NH2+]C2CC(F)(F)C2)c1 ZINC000277580977 175158850 /nfs/dbraw/zinc/15/88/50/175158850.db2.gz UAHDGTNKEZXDPD-UHFFFAOYSA-N 1 0 243.253 2.288 20 10 BECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000162519573 175158966 /nfs/dbraw/zinc/15/89/66/175158966.db2.gz GGMHGNJOIFORPV-UWVGGRQHSA-N 1 0 221.300 2.146 20 10 BECDRO COc1ccc(O)c(C[NH2+]CCC2CC2)c1 ZINC000083893440 175159319 /nfs/dbraw/zinc/15/93/19/175159319.db2.gz VYCURGTUWWTENR-UHFFFAOYSA-N 1 0 221.300 2.291 20 10 BECDRO COc1cccc(C[NH2+]C[C@H](C)SC)c1O ZINC000128185331 175266211 /nfs/dbraw/zinc/26/62/11/175266211.db2.gz FVPGNECXTOCSEK-VIFPVBQESA-N 1 0 241.356 2.242 20 10 BECDRO C[C@@H](CCCCO)[NH2+]Cc1cc(F)ccc1O ZINC000295053471 175664091 /nfs/dbraw/zinc/66/40/91/175664091.db2.gz NPOALROWJIYDDK-JTQLQIEISA-N 1 0 241.306 2.172 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCS1 ZINC000179569750 176307849 /nfs/dbraw/zinc/30/78/49/176307849.db2.gz JPXDIHHDZMMILU-SNVBAGLBSA-N 1 0 223.341 2.330 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000219922544 176377455 /nfs/dbraw/zinc/37/74/55/176377455.db2.gz AQPWCHNFNCDOGK-RISCZKNCSA-N 1 0 247.338 2.279 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000161304631 176377690 /nfs/dbraw/zinc/37/76/90/176377690.db2.gz IACBNKOVEXWZRD-PWSUYJOCSA-N 1 0 221.300 2.049 20 10 BECDRO C[C@H]([NH2+]CCCCCO)c1cc(F)ccc1O ZINC000192931034 176841947 /nfs/dbraw/zinc/84/19/47/176841947.db2.gz CGVHFVPNCNEGIO-JTQLQIEISA-N 1 0 241.306 2.345 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1O ZINC000038044194 176861050 /nfs/dbraw/zinc/86/10/50/176861050.db2.gz QJMYCKFEFYEEFC-RYUDHWBXSA-N 1 0 235.327 2.469 20 10 BECDRO C[C@H]1CCOCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000365344008 177178040 /nfs/dbraw/zinc/17/80/40/177178040.db2.gz MVDLFMCOFNOOJY-ZDUSSCGKSA-N 1 0 248.370 2.363 20 10 BECDRO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](C)O1 ZINC000028221875 177265925 /nfs/dbraw/zinc/26/59/25/177265925.db2.gz CTGGINCBVRTYPW-PHIMTYICSA-N 1 0 221.300 2.001 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000219922576 177332748 /nfs/dbraw/zinc/33/27/48/177332748.db2.gz AQPWCHNFNCDOGK-FZMZJTMJSA-N 1 0 247.338 2.279 20 10 BECDRO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001652474678 1173088837 /nfs/dbraw/zinc/08/88/37/1173088837.db2.gz MXVRRXAMDPWOGU-KWQFWETISA-N 1 0 241.718 2.001 20 10 BECDRO COc1cc(Cl)cc(CN(C)CCF)c1O ZINC000293792286 488017390 /nfs/dbraw/zinc/01/73/90/488017390.db2.gz ZYYHLNSJSQUXPR-UHFFFAOYSA-N 1 0 247.697 2.456 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCOCCF)cc1C ZINC000853091771 588719383 /nfs/dbraw/zinc/71/93/83/588719383.db2.gz QTZMEWSCCCRIGK-UHFFFAOYSA-N 1 0 241.306 2.085 20 10 BECDRO C[NH2+]C[C@H](C)NCc1c(O)cc(C)cc1Cl ZINC000853248725 588728866 /nfs/dbraw/zinc/72/88/66/588728866.db2.gz JFOXDZZJDLWZFH-VIFPVBQESA-N 1 0 242.750 2.052 20 10 BECDRO Cc1cc(C)c(O)c(C[N@@H+](C)CC2CN(C)C2)c1 ZINC000853555268 588748486 /nfs/dbraw/zinc/74/84/86/588748486.db2.gz IGTXLLGPLJAQNJ-UHFFFAOYSA-N 1 0 248.370 2.002 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)CC2CN(C)C2)cc1C ZINC000853555851 588748549 /nfs/dbraw/zinc/74/85/49/588748549.db2.gz QPNYQURLOVIFEH-UHFFFAOYSA-N 1 0 248.370 2.002 20 10 BECDRO CC[C@@H](NCC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000854226571 588780512 /nfs/dbraw/zinc/78/05/12/588780512.db2.gz IHKQAHVKCKGLQN-GLWUULTISA-N 1 0 246.354 2.185 20 10 BECDRO CCN(C)c1ccc([C@H](C)N[C@H](C)C[NH2+]C)cc1 ZINC000854233277 588781388 /nfs/dbraw/zinc/78/13/88/588781388.db2.gz YMHUMBRRENGYOH-OLZOCXBDSA-N 1 0 249.402 2.401 20 10 BECDRO CC[C@H](N[C@@H](C)C[NH2+]C)c1ccc(C)cc1O ZINC000854231350 588781454 /nfs/dbraw/zinc/78/14/54/588781454.db2.gz GHITXXGFHBDPSQ-AAEUAGOBSA-N 1 0 236.359 2.349 20 10 BECDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000854233291 588781574 /nfs/dbraw/zinc/78/15/74/588781574.db2.gz XSDMWDLBCZDENJ-NEPJUHHUSA-N 1 0 235.375 2.011 20 10 BECDRO COc1ccc(C[NH+]2CCCC2)c(O)c1OC ZINC000891448171 582687243 /nfs/dbraw/zinc/68/72/43/582687243.db2.gz ZNFBGICJRCVBFS-UHFFFAOYSA-N 1 0 237.299 2.005 20 10 BECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccno2)c1 ZINC000223739635 582816731 /nfs/dbraw/zinc/81/67/31/582816731.db2.gz YEIKPHAOCFTUAS-SECBINFHSA-N 1 0 248.282 2.240 20 10 BECDRO CC[C@H]([NH2+]CC1(CO)CC1)c1ccccc1O ZINC000122342333 582843910 /nfs/dbraw/zinc/84/39/10/582843910.db2.gz SFHHPBHOKUNAIW-LBPRGKRZSA-N 1 0 235.327 2.205 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@]2(C)CCCOC2)c1 ZINC000221343472 583177837 /nfs/dbraw/zinc/17/78/37/583177837.db2.gz JMMBMZYGLZQRMJ-CQSZACIVSA-N 1 0 235.327 2.359 20 10 BECDRO CN(C)c1ccc(/C=C/C[NH2+]C2(C)COC2)cc1 ZINC000877691037 583342643 /nfs/dbraw/zinc/34/26/43/583342643.db2.gz IPHFLMULYOSRAG-SNAWJCMRSA-N 1 0 246.354 2.144 20 10 BECDRO COc1cc(C)cc(C[NH2+]CCCF)c1O ZINC000894339214 583427721 /nfs/dbraw/zinc/42/77/21/583427721.db2.gz SWOONMPEJMUCNI-UHFFFAOYSA-N 1 0 227.279 2.158 20 10 BECDRO CC(C)C1C[NH+](Cc2ccccc2O)C1 ZINC000793187799 583575219 /nfs/dbraw/zinc/57/52/19/583575219.db2.gz ALFVGIMKFMOEAH-UHFFFAOYSA-N 1 0 205.301 2.480 20 10 BECDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000895312611 583648605 /nfs/dbraw/zinc/64/86/05/583648605.db2.gz ZVUWNUJCNYZZKZ-CQSZACIVSA-N 1 0 247.342 2.007 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC1CSC1 ZINC000895423227 583673727 /nfs/dbraw/zinc/67/37/27/583673727.db2.gz BVQGAJCSLAHDRZ-UHFFFAOYSA-N 1 0 223.341 2.153 20 10 BECDRO COc1cccc(O)c1C[NH+]1CCC(F)CC1 ZINC000895549266 583686652 /nfs/dbraw/zinc/68/66/52/583686652.db2.gz INNQNPDGQDFQQF-UHFFFAOYSA-N 1 0 239.290 2.335 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CF)C1 ZINC000895572247 583692522 /nfs/dbraw/zinc/69/25/22/583692522.db2.gz FVBYTQKOTAWIJJ-NSHDSACASA-N 1 0 223.291 2.492 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847887 583736466 /nfs/dbraw/zinc/73/64/66/583736466.db2.gz XFGQLZLZJZRSCV-HIFRSBDPSA-N 1 0 247.338 2.393 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847888 583736935 /nfs/dbraw/zinc/73/69/35/583736935.db2.gz XFGQLZLZJZRSCV-UKRRQHHQSA-N 1 0 247.338 2.393 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](C)CC1 ZINC000896577761 583814505 /nfs/dbraw/zinc/81/45/05/583814505.db2.gz OMPUCGOYVQYPAL-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO CC1(C)C[C@@H]([NH2+]Cc2c([O-])cccc2F)CO1 ZINC000896637560 583820060 /nfs/dbraw/zinc/82/00/60/583820060.db2.gz KLMAFXFVPQUBDZ-SECBINFHSA-N 1 0 239.290 2.188 20 10 BECDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCCC2)cc1 ZINC000841045907 584123499 /nfs/dbraw/zinc/12/34/99/584123499.db2.gz SOTULNHHUPIUTI-HNNXBMFYSA-N 1 0 247.386 2.285 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c(O)c1C ZINC000858542959 588964159 /nfs/dbraw/zinc/96/41/59/588964159.db2.gz DQRSTXFVAHNYIC-RWMBFGLXSA-N 1 0 249.354 2.431 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c(O)c1 ZINC000858543870 588964169 /nfs/dbraw/zinc/96/41/69/588964169.db2.gz PEJBZKNHSCQFEX-RWMBFGLXSA-N 1 0 249.354 2.431 20 10 BECDRO CC[C@@H]([NH2+]CC1COC1)c1ccc(N(C)C)cc1 ZINC000858550664 588964680 /nfs/dbraw/zinc/96/46/80/588964680.db2.gz RLLQKGQMBYNMPY-OAHLLOKOSA-N 1 0 248.370 2.440 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]2CO)cc1C(C)C ZINC000902629725 584646456 /nfs/dbraw/zinc/64/64/56/584646456.db2.gz ILNXQHATZAEKJE-ZDUSSCGKSA-N 1 0 249.354 2.391 20 10 BECDRO C[C@H]([NH2+]C1CC(CCO)C1)c1ccccc1O ZINC000903331507 584754551 /nfs/dbraw/zinc/75/45/51/584754551.db2.gz XRYWREZXVFYLOU-UNXYVOJBSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)cn2)c(O)c1 ZINC000903352556 584755293 /nfs/dbraw/zinc/75/52/93/584755293.db2.gz VECFZIBMRTZDGW-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO C[C@@H]([NH2+]Cc1cn(C)cn1)c1cc(F)ccc1O ZINC000903351359 584755498 /nfs/dbraw/zinc/75/54/98/584755498.db2.gz KAXNWHAPGWXKQW-SECBINFHSA-N 1 0 249.289 2.116 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)cn2)c1 ZINC000903352950 584755919 /nfs/dbraw/zinc/75/59/19/584755919.db2.gz XIZQZVMTGBLVAB-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](CN)C2CCCC2)c1O ZINC000841087084 584884010 /nfs/dbraw/zinc/88/40/10/584884010.db2.gz MQCZKQCZZBMASK-AWEZNQCLSA-N 1 0 248.370 2.308 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000877118647 584890770 /nfs/dbraw/zinc/89/07/70/584890770.db2.gz IUYSVTLCNUJPEV-AAEUAGOBSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]2O)cc1C ZINC000835079940 584919247 /nfs/dbraw/zinc/91/92/47/584919247.db2.gz HLHJSCLPMQPHKJ-CHWSQXEVSA-N 1 0 235.327 2.012 20 10 BECDRO COc1ccc(C[NH2+][C@@H](CO)CC2CC2)cc1C ZINC000754834941 584932571 /nfs/dbraw/zinc/93/25/71/584932571.db2.gz PUGFQIWUEGFFRT-CQSZACIVSA-N 1 0 249.354 2.254 20 10 BECDRO CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1[O-] ZINC000817960975 584992469 /nfs/dbraw/zinc/99/24/69/584992469.db2.gz VKAYMDRNJSHGCU-LLVKDONJSA-N 1 0 240.322 2.309 20 10 BECDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817973738 584993741 /nfs/dbraw/zinc/99/37/41/584993741.db2.gz VSSYGPHNQJSELG-OLZOCXBDSA-N 1 0 249.402 2.401 20 10 BECDRO CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000817979330 584994586 /nfs/dbraw/zinc/99/45/86/584994586.db2.gz JNCBSNCAWKFGGA-JQWIXIFHSA-N 1 0 240.322 2.309 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CC(C(F)F)C2)c1 ZINC000839141627 585094340 /nfs/dbraw/zinc/09/43/40/585094340.db2.gz UKTOSXSSLLHOHP-UHFFFAOYSA-N 1 0 227.254 2.398 20 10 BECDRO COc1ccc(O)c(C[NH+]2CC(C(F)F)C2)c1 ZINC000839141727 585094989 /nfs/dbraw/zinc/09/49/89/585094989.db2.gz XHGGKWMFKAGMBL-UHFFFAOYSA-N 1 0 243.253 2.098 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000839190677 585097547 /nfs/dbraw/zinc/09/75/47/585097547.db2.gz JJDSOMPMVIQNES-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO COCC(C)(C)C[N@H+](C)Cc1ccccc1O ZINC000756077280 585314011 /nfs/dbraw/zinc/31/40/11/585314011.db2.gz RYFOIACTEMTRQP-UHFFFAOYSA-N 1 0 237.343 2.497 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)ncn2)c1 ZINC000756991846 585326153 /nfs/dbraw/zinc/32/61/53/585326153.db2.gz ZBYXORGTKUHRNG-UHFFFAOYSA-N 1 0 243.310 2.089 20 10 BECDRO CCN(CC)c1ccc(CN(C)[C@H](C)C[NH3+])cc1 ZINC000843051513 585332143 /nfs/dbraw/zinc/33/21/43/585332143.db2.gz JPRGUNNDDZMSAK-CYBMUJFWSA-N 1 0 249.402 2.312 20 10 BECDRO C[C@@H](C[NH3+])N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000843052222 585332944 /nfs/dbraw/zinc/33/29/44/585332944.db2.gz PTRUSSXOUUWXNY-GFUIURDCSA-N 1 0 247.386 2.045 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)CC2(O)CCC2)c1 ZINC000761220106 585412546 /nfs/dbraw/zinc/41/25/46/585412546.db2.gz UNSHAQWBLDDZEW-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO CCOc1ccc(C[N@H+](C)CC)c(O)c1 ZINC000768237491 585534265 /nfs/dbraw/zinc/53/42/65/585534265.db2.gz TXZBANFILPJJDY-UHFFFAOYSA-N 1 0 209.289 2.243 20 10 BECDRO Cc1ccc(O)c(CN(C)Cc2cc[nH]n2)c1 ZINC000769383782 585555129 /nfs/dbraw/zinc/55/51/29/585555129.db2.gz JDVUHLLPCNKLCE-UHFFFAOYSA-N 1 0 231.299 2.056 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1 ZINC000771935596 585604931 /nfs/dbraw/zinc/60/49/31/585604931.db2.gz ZEYOQDCJTIZJTO-UHFFFAOYSA-N 1 0 244.342 2.108 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1 ZINC000773757110 585642911 /nfs/dbraw/zinc/64/29/11/585642911.db2.gz YPGVXGFTJZYVTJ-OAHLLOKOSA-N 1 0 248.370 2.099 20 10 BECDRO CCN(C)c1ccc(C[NH2+][C@H](CO)C2CC2)cc1 ZINC000773841195 585644856 /nfs/dbraw/zinc/64/48/56/585644856.db2.gz VKFKWQDZCDZDBB-OAHLLOKOSA-N 1 0 248.370 2.003 20 10 BECDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccccc1O ZINC000775136494 585672481 /nfs/dbraw/zinc/67/24/81/585672481.db2.gz KGWDRIPVNDWZIP-MFKMUULPSA-N 1 0 247.294 2.369 20 10 BECDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccccc1O ZINC000775136497 585672618 /nfs/dbraw/zinc/67/26/18/585672618.db2.gz KGWDRIPVNDWZIP-ZWNOBZJWSA-N 1 0 247.294 2.369 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1O ZINC000780893311 585785772 /nfs/dbraw/zinc/78/57/72/585785772.db2.gz WCXSXCUDTVXVFN-OLZOCXBDSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cc(O)c(C[N@H+](CCO)C2CCC2)cc1C ZINC000784671219 585865368 /nfs/dbraw/zinc/86/53/68/585865368.db2.gz HZSTUBPDCWMEEA-UHFFFAOYSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000789557068 585943914 /nfs/dbraw/zinc/94/39/14/585943914.db2.gz FUQQNKSCIFFMBT-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO COc1ccc(O)c(C[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000793228794 586014882 /nfs/dbraw/zinc/01/48/82/586014882.db2.gz QXZMIFJXMOLXMY-NXEZZACHSA-N 1 0 221.300 2.384 20 10 BECDRO CC[C@@H]([NH2+]CCN1CCC1)c1ccc(C)cc1O ZINC000794815785 586049465 /nfs/dbraw/zinc/04/94/65/586049465.db2.gz LUBGIFOFTYOKLF-CQSZACIVSA-N 1 0 248.370 2.447 20 10 BECDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000796496453 586105178 /nfs/dbraw/zinc/10/51/78/586105178.db2.gz AKVGTNQZDNATDA-RYUDHWBXSA-N 1 0 235.327 2.154 20 10 BECDRO CC1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000802650864 586307755 /nfs/dbraw/zinc/30/77/55/586307755.db2.gz CHWDCVBNWILZAD-UHFFFAOYSA-N 1 0 211.692 2.497 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCOCC23CC3)cc1C ZINC000802658609 586309034 /nfs/dbraw/zinc/30/90/34/586309034.db2.gz KCPKWZXLKBBHCY-UHFFFAOYSA-N 1 0 247.338 2.374 20 10 BECDRO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2C)ccc1N(C)C ZINC000815079563 586665989 /nfs/dbraw/zinc/66/59/89/586665989.db2.gz SEPYIBASCMARIS-TZMCWYRMSA-N 1 0 248.370 2.016 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C)C2)c(O)c1 ZINC000815576338 586688312 /nfs/dbraw/zinc/68/83/12/586688312.db2.gz OPPWEODVHOIXRY-CHWSQXEVSA-N 1 0 248.370 2.364 20 10 BECDRO COC[C@H]1CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000816637324 586745723 /nfs/dbraw/zinc/74/57/23/586745723.db2.gz ZUJFWVXTNPZAMH-LLVKDONJSA-N 1 0 241.718 2.266 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1O ZINC000817415588 586802406 /nfs/dbraw/zinc/80/24/06/586802406.db2.gz ZIFIEMRWYIHFGJ-YPMHNXCESA-N 1 0 235.327 2.046 20 10 BECDRO CC[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938965 586844531 /nfs/dbraw/zinc/84/45/31/586844531.db2.gz WMNXIUHZGRAAEY-SMDDNHRTSA-N 1 0 235.375 2.141 20 10 BECDRO Cc1ccc(O)c([C@@H](C)N[C@H]2CCC[NH2+]C2)c1 ZINC000817941152 586845508 /nfs/dbraw/zinc/84/55/08/586845508.db2.gz MWEWUJFWTRBAJE-NEPJUHHUSA-N 1 0 234.343 2.103 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@@H]2CCC[NH2+]C2)c1 ZINC000817941154 586845670 /nfs/dbraw/zinc/84/56/70/586845670.db2.gz MWEWUJFWTRBAJE-NWDGAFQWSA-N 1 0 234.343 2.103 20 10 BECDRO CCN(C)c1ccc([C@H](C)N[C@H]2CC[NH2+]C2)cc1 ZINC000817944832 586845780 /nfs/dbraw/zinc/84/57/80/586845780.db2.gz NIOKQTMCNMVCLL-JSGCOSHPSA-N 1 0 247.386 2.155 20 10 BECDRO C[NH2+]CCN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000817952821 586845804 /nfs/dbraw/zinc/84/58/04/586845804.db2.gz UMNDAKLNLBALRH-VIFPVBQESA-N 1 0 242.750 2.224 20 10 BECDRO CC[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944852 586845915 /nfs/dbraw/zinc/84/59/15/586845915.db2.gz NRPKCZUYIAWQEH-DZGCQCFKSA-N 1 0 247.386 2.155 20 10 BECDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817945277 586845976 /nfs/dbraw/zinc/84/59/76/586845976.db2.gz YTEKTCFRKRMPIL-SCZZXKLOSA-N 1 0 240.734 2.058 20 10 BECDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817945278 586846490 /nfs/dbraw/zinc/84/64/90/586846490.db2.gz YTEKTCFRKRMPIL-WCBMZHEXSA-N 1 0 240.734 2.058 20 10 BECDRO Cc1ccc(O)c([C@@H](C)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000817948486 586846878 /nfs/dbraw/zinc/84/68/78/586846878.db2.gz AMGQTWSNKKBPOL-OLZOCXBDSA-N 1 0 248.370 2.493 20 10 BECDRO Oc1cccc2c1[C@H](NC[C@H]1CCCC[NH2+]1)CC2 ZINC000817949307 586846996 /nfs/dbraw/zinc/84/69/96/586846996.db2.gz IHWKDDHXCYDTGL-CHWSQXEVSA-N 1 0 246.354 2.111 20 10 BECDRO Cc1ccc(O)c([C@H](C)NC[C@H]2CCC[NH2+]2)c1 ZINC000817951241 586847959 /nfs/dbraw/zinc/84/79/59/586847959.db2.gz CGJGDPNVROGIQW-NWDGAFQWSA-N 1 0 234.343 2.103 20 10 BECDRO CC[NH2+]CCN[C@H](CC)c1ccc(F)cc1O ZINC000817951623 586847976 /nfs/dbraw/zinc/84/79/76/586847976.db2.gz HSIIAZGBWWJETB-GFCCVEGCSA-N 1 0 240.322 2.182 20 10 BECDRO CC[NH2+]CCN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000817951779 586848028 /nfs/dbraw/zinc/84/80/28/586848028.db2.gz JWWDQFHGXWEKGU-OAHLLOKOSA-N 1 0 249.402 2.403 20 10 BECDRO CC[NH2+]CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817951199 586848157 /nfs/dbraw/zinc/84/81/57/586848157.db2.gz BELDFDKXRPLYII-LBPRGKRZSA-N 1 0 235.375 2.013 20 10 BECDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000817952789 586848952 /nfs/dbraw/zinc/84/89/52/586848952.db2.gz SGEBBPOLUHUUSZ-JSGCOSHPSA-N 1 0 247.386 2.155 20 10 BECDRO CC[NH2+]CCN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000817953252 586849068 /nfs/dbraw/zinc/84/90/68/586849068.db2.gz YATRDBDTXDLESL-CYBMUJFWSA-N 1 0 249.402 2.403 20 10 BECDRO CC[C@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000817952855 586849098 /nfs/dbraw/zinc/84/90/98/586849098.db2.gz VNXDVQMYBBDVJJ-AAEUAGOBSA-N 1 0 234.343 2.185 20 10 BECDRO C[NH2+]CCN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817953654 586849324 /nfs/dbraw/zinc/84/93/24/586849324.db2.gz ROLYLCWNRFFCEB-NSHDSACASA-N 1 0 248.370 2.141 20 10 BECDRO CC[C@H](NC1C[NH2+]C1)c1cc(Cl)ccc1O ZINC000817955985 586850007 /nfs/dbraw/zinc/85/00/07/586850007.db2.gz MYHSPXGGRMDFCJ-NSHDSACASA-N 1 0 240.734 2.058 20 10 BECDRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956229 586850010 /nfs/dbraw/zinc/85/00/10/586850010.db2.gz ULBUDMZSHMTBLF-SNVBAGLBSA-N 1 0 244.342 2.194 20 10 BECDRO CCC[NH2+]CCN[C@H](C)c1cc(F)ccc1O ZINC000817962403 586853358 /nfs/dbraw/zinc/85/33/58/586853358.db2.gz LEPVKGRAGJBRRA-SNVBAGLBSA-N 1 0 240.322 2.182 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CN)c(O)c1 ZINC000817966594 586855133 /nfs/dbraw/zinc/85/51/33/586855133.db2.gz QWJNTTKAVPNQJC-GHMZBOCLSA-N 1 0 222.332 2.007 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN)c(O)c1C ZINC000817970440 586857760 /nfs/dbraw/zinc/85/77/60/586857760.db2.gz VGXMRLZTHDXYFS-ONGXEEELSA-N 1 0 222.332 2.007 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CN)c(O)c1 ZINC000817970297 586858344 /nfs/dbraw/zinc/85/83/44/586858344.db2.gz QWJNTTKAVPNQJC-QWRGUYRKSA-N 1 0 222.332 2.007 20 10 BECDRO C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817977893 586862119 /nfs/dbraw/zinc/86/21/19/586862119.db2.gz RFHUPUJQQFPMGX-UWVGGRQHSA-N 1 0 240.322 2.309 20 10 BECDRO CCOc1ccc(C[NH2+][C@@H]2CC23CC3)c(O)c1 ZINC000818230599 586880793 /nfs/dbraw/zinc/88/07/93/586880793.db2.gz PTSJZTXQLGGPEA-CYBMUJFWSA-N 1 0 233.311 2.433 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(C)cc1O ZINC000818357647 586888967 /nfs/dbraw/zinc/88/89/67/586888967.db2.gz DKCFAJGUIWDLCX-YNEHKIRRSA-N 1 0 235.327 2.265 20 10 BECDRO CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000818358044 586889103 /nfs/dbraw/zinc/88/91/03/586889103.db2.gz PVRQEAUPJNPRJS-RBSFLKMASA-N 1 0 248.370 2.317 20 10 BECDRO CO[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000821392200 587116030 /nfs/dbraw/zinc/11/60/30/587116030.db2.gz VSNVAZMJIAPUQZ-OLZOCXBDSA-N 1 0 235.327 2.392 20 10 BECDRO CCOc1ccc(C[NH+]2CC3(CC3)C2)c(O)c1 ZINC000824534053 587273558 /nfs/dbraw/zinc/27/35/58/587273558.db2.gz YXVGBBIWJXEVMR-UHFFFAOYSA-N 1 0 233.311 2.387 20 10 BECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]1C1CC1)OCO2 ZINC000824649623 587280584 /nfs/dbraw/zinc/28/05/84/587280584.db2.gz DKVCPUYILOTGND-LLVKDONJSA-N 1 0 247.294 2.105 20 10 BECDRO CC/C=C/C[NH2+]Cc1c(O)cccc1OC ZINC000824701949 587283344 /nfs/dbraw/zinc/28/33/44/587283344.db2.gz FGNWUQVDFCFWFP-SNAWJCMRSA-N 1 0 221.300 2.457 20 10 BECDRO CC/C=C\C[NH2+]Cc1c(O)cccc1OC ZINC000824701948 587283439 /nfs/dbraw/zinc/28/34/39/587283439.db2.gz FGNWUQVDFCFWFP-PLNGDYQASA-N 1 0 221.300 2.457 20 10 BECDRO CC[C@@H]1CN(CC)CC[N@@H+]1Cc1ccccc1O ZINC000825006163 587298256 /nfs/dbraw/zinc/29/82/56/587298256.db2.gz YTKRNABPUHRRQS-CQSZACIVSA-N 1 0 248.370 2.308 20 10 BECDRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825070838 587303006 /nfs/dbraw/zinc/30/30/06/587303006.db2.gz MZADTJNNMRSCOF-JTQLQIEISA-N 1 0 243.734 2.215 20 10 BECDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccccc1O)C2 ZINC000827017704 587368076 /nfs/dbraw/zinc/36/80/76/587368076.db2.gz IROFIDTZDPQARE-GASCZTMLSA-N 1 0 247.338 2.251 20 10 BECDRO Cc1ccc(O)c(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1 ZINC000827151423 587371372 /nfs/dbraw/zinc/37/13/72/587371372.db2.gz ASYOESXAECOFHV-VXGBXAGGSA-N 1 0 249.354 2.149 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000827506067 587384681 /nfs/dbraw/zinc/38/46/81/587384681.db2.gz BWRWJVHPPFGNRX-QWRGUYRKSA-N 1 0 233.311 2.243 20 10 BECDRO Oc1c(C[NH2+][C@H]2C[C@H](O)C2)ccc2ccccc21 ZINC000827832567 587404962 /nfs/dbraw/zinc/40/49/62/587404962.db2.gz OVZYKKYLMUBCKN-JOCQHMNTSA-N 1 0 243.306 2.158 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c(O)c1C ZINC000834906628 587770217 /nfs/dbraw/zinc/77/02/17/587770217.db2.gz QVXPPRGLMYCMOZ-SDDRHHMPSA-N 1 0 235.327 2.183 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c(O)c1 ZINC000834914469 587770640 /nfs/dbraw/zinc/77/06/40/587770640.db2.gz NCQHKSFJWFAQEI-RAIGVLPGSA-N 1 0 235.327 2.265 20 10 BECDRO C[C@H](O)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039908 587779369 /nfs/dbraw/zinc/77/93/69/587779369.db2.gz MJPIFZWOKXTTSQ-IHVVCDCBSA-N 1 0 248.370 2.126 20 10 BECDRO CCOC1CN(Cc2ccc(N(C)C)cc2C)C1 ZINC000840952715 587931827 /nfs/dbraw/zinc/93/18/27/587931827.db2.gz GUXIJQZBOFTCRW-UHFFFAOYSA-N 1 0 248.370 2.282 20 10 BECDRO CCCC[C@@H](C[NH3+])NCc1ccc2c(c1)CCO2 ZINC000841028586 587935909 /nfs/dbraw/zinc/93/59/09/587935909.db2.gz FEMXSBOSTNBXAM-AWEZNQCLSA-N 1 0 248.370 2.229 20 10 BECDRO CC(C)[C@H]([NH3+])CNCc1c(O)cccc1Cl ZINC000841030458 587936139 /nfs/dbraw/zinc/93/61/39/587936139.db2.gz RZWPHWMOASUYFY-LLVKDONJSA-N 1 0 242.750 2.119 20 10 BECDRO CC[NH2+]CCNCc1ccc(N(CC)CC)cc1 ZINC000841038273 587937718 /nfs/dbraw/zinc/93/77/18/587937718.db2.gz ZGASBYGJXYPNQS-UHFFFAOYSA-N 1 0 249.402 2.232 20 10 BECDRO Nc1ccc(CC[NH2+][C@@H]2CCCSC2)cc1 ZINC000841037242 587938012 /nfs/dbraw/zinc/93/80/12/587938012.db2.gz ZJBHDCQQFIVJGX-CYBMUJFWSA-N 1 0 236.384 2.297 20 10 BECDRO COC1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000841035969 587938131 /nfs/dbraw/zinc/93/81/31/587938131.db2.gz RGPCTGCANPTWNA-UHFFFAOYSA-N 1 0 248.370 2.359 20 10 BECDRO Nc1ccc(CC[NH2+]C[C@H]2CCSC2)cc1 ZINC000841038939 587938371 /nfs/dbraw/zinc/93/83/71/587938371.db2.gz VHGOHYIDCWQRQP-GFCCVEGCSA-N 1 0 236.384 2.154 20 10 BECDRO CCC[NH2+]CCNCc1ccc(N(C)C)cc1C ZINC000841047130 587938899 /nfs/dbraw/zinc/93/88/99/587938899.db2.gz XAXRQEGRJGGATE-UHFFFAOYSA-N 1 0 249.402 2.150 20 10 BECDRO CCC[NH2+]CCNCc1cc(Cl)ccc1O ZINC000841046620 587939261 /nfs/dbraw/zinc/93/92/61/587939261.db2.gz JSLHSHQLFFGHHE-UHFFFAOYSA-N 1 0 242.750 2.135 20 10 BECDRO C[C@@H](CC[NH3+])[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841051569 587939731 /nfs/dbraw/zinc/93/97/31/587939731.db2.gz QGDMHWVDCMLNIA-ZETCQYMHSA-N 1 0 246.713 2.012 20 10 BECDRO [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000841049113 587939927 /nfs/dbraw/zinc/93/99/27/587939927.db2.gz MYFQZFDLKLYXJX-UHFFFAOYSA-N 1 0 240.734 2.017 20 10 BECDRO Cc1cc(O)c(CN[C@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000841059983 587941362 /nfs/dbraw/zinc/94/13/62/587941362.db2.gz ZHWSVZKLAOUWNQ-HZMBPMFUSA-N 1 0 248.370 2.097 20 10 BECDRO CCN(CC)c1ccc(CN[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000841078057 587945039 /nfs/dbraw/zinc/94/50/39/587945039.db2.gz FBQJWXAHSXVXPJ-STQMWFEESA-N 1 0 249.402 2.358 20 10 BECDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc2c(c1)CCO2 ZINC000841087131 587945429 /nfs/dbraw/zinc/94/54/29/587945429.db2.gz JGRXPXYEACFMKA-CQSZACIVSA-N 1 0 248.370 2.085 20 10 BECDRO Cc1cc(O)c(CN[C@@H]2CC[NH2+]C2(C)C)cc1C ZINC000841086852 587946082 /nfs/dbraw/zinc/94/60/82/587946082.db2.gz PIAGRKAKBMWNDH-CQSZACIVSA-N 1 0 248.370 2.239 20 10 BECDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752835 587973905 /nfs/dbraw/zinc/97/39/05/587973905.db2.gz CMZJOEXBQZCFHV-SCZZXKLOSA-N 1 0 243.734 2.467 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC000841758497 587974291 /nfs/dbraw/zinc/97/42/91/587974291.db2.gz ICYKGWVSSKRBOO-GYSYKLTISA-N 1 0 235.327 2.265 20 10 BECDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(N(C)C)cc1 ZINC000841760044 587974319 /nfs/dbraw/zinc/97/43/19/587974319.db2.gz RXCMAGZILZXNQP-CORIIIEPSA-N 1 0 248.370 2.317 20 10 BECDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(N)cc1 ZINC000841846033 587977280 /nfs/dbraw/zinc/97/72/80/587977280.db2.gz JCRZZNSOGDLSJZ-LBPRGKRZSA-N 1 0 249.358 2.232 20 10 BECDRO Cc1cccc(CN(C2CC2)[C@H]2CC[NH2+]C2)c1O ZINC000843055707 588077943 /nfs/dbraw/zinc/07/79/43/588077943.db2.gz OGVFHLBDBXCIOO-AWEZNQCLSA-N 1 0 246.354 2.027 20 10 BECDRO Cc1cccc(CN2CC[NH2+][C@@H](C(C)C)C2)c1O ZINC000843104486 588081735 /nfs/dbraw/zinc/08/17/35/588081735.db2.gz IZECDPKBUKCICP-CQSZACIVSA-N 1 0 248.370 2.130 20 10 BECDRO Cc1cc(O)c(CN2C[C@H](C)[NH2+]C[C@H]2C)cc1C ZINC000843119745 588083586 /nfs/dbraw/zinc/08/35/86/588083586.db2.gz GREFQDCXXWVRJW-QWHCGFSZSA-N 1 0 248.370 2.191 20 10 BECDRO Cc1cc(O)c(C[NH2+]Cc2ccno2)cc1C ZINC000843403063 588106208 /nfs/dbraw/zinc/10/62/08/588106208.db2.gz UROLIKUNOFGKIV-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccccc1O ZINC000846074156 588255464 /nfs/dbraw/zinc/25/54/64/588255464.db2.gz YEHRXPKHFGTLPA-NSHDSACASA-N 1 0 235.327 2.297 20 10 BECDRO C[C@H](COCC1CC1)[NH2+]Cc1ccccc1O ZINC000846074155 588255509 /nfs/dbraw/zinc/25/55/09/588255509.db2.gz YEHRXPKHFGTLPA-LLVKDONJSA-N 1 0 235.327 2.297 20 10 BECDRO COC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846137894 588258367 /nfs/dbraw/zinc/25/83/67/588258367.db2.gz NRMMQKHOLVPCTD-UWVGGRQHSA-N 1 0 239.315 2.086 20 10 BECDRO COC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846137896 588258519 /nfs/dbraw/zinc/25/85/19/588258519.db2.gz NRMMQKHOLVPCTD-ZJUUUORDSA-N 1 0 239.315 2.086 20 10 BECDRO COc1cccc([C@@H](C)[NH2+]CCSC)c1O ZINC000846135512 588258609 /nfs/dbraw/zinc/25/86/09/588258609.db2.gz DFRBKQXKJMAKLK-SECBINFHSA-N 1 0 241.356 2.414 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@](O)(CC)C2)c1O ZINC000848904598 588418430 /nfs/dbraw/zinc/41/84/30/588418430.db2.gz YCFWYXPDXCVYCR-HNNXBMFYSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[N@H+](C)C[C@H](O)C2CC2)c1O ZINC000848910987 588419439 /nfs/dbraw/zinc/41/94/39/588419439.db2.gz CJIMOAJMSWOQQW-AWEZNQCLSA-N 1 0 249.354 2.157 20 10 BECDRO Cc1cc(O)c(CN(C)CC(C)(C)[NH3+])cc1C ZINC000849349576 588474488 /nfs/dbraw/zinc/47/44/88/588474488.db2.gz DLJZWQPRHWWRQB-UHFFFAOYSA-N 1 0 236.359 2.178 20 10 BECDRO COc1ccc(N2CC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000850346639 588538244 /nfs/dbraw/zinc/53/82/44/588538244.db2.gz VMNBNUDMBODPBV-CYBMUJFWSA-N 1 0 246.354 2.274 20 10 BECDRO Oc1cc2c(cc1C[NH2+][C@@H]1[C@@H]3CCC[C@@H]31)OCO2 ZINC000850394034 588543870 /nfs/dbraw/zinc/54/38/70/588543870.db2.gz ZISRSAHQVTXFLT-WDAIWFPHSA-N 1 0 247.294 2.009 20 10 BECDRO Cc1cccc(N(C)C(=O)C=C2CC[NH2+]CC2)c1 ZINC000852809619 588705011 /nfs/dbraw/zinc/70/50/11/588705011.db2.gz JKJQYYMTXZTUQF-UHFFFAOYSA-N 1 0 244.338 2.268 20 10 BECDRO Cc1ncc(C[N@@H+](C)Cc2ccccc2O)o1 ZINC000862228191 589195686 /nfs/dbraw/zinc/19/56/86/589195686.db2.gz MYEONCKVOBYFJE-UHFFFAOYSA-N 1 0 232.283 2.321 20 10 BECDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000862540381 589218904 /nfs/dbraw/zinc/21/89/04/589218904.db2.gz DRSLXFYZQPUQKK-CTYIDZIISA-N 1 0 248.370 2.328 20 10 BECDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N(C)C)cc1 ZINC000863547788 589298252 /nfs/dbraw/zinc/29/82/52/589298252.db2.gz YYJUJJHBAIYTIV-SLEUVZQESA-N 1 0 247.386 2.154 20 10 BECDRO Cc1ccc(O)c([C@@H](C)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863547682 589298584 /nfs/dbraw/zinc/29/85/84/589298584.db2.gz VBCLLZRURHRYCW-NTZNESFSSA-N 1 0 234.343 2.102 20 10 BECDRO CC[C@@H]1CCN(C(=[NH2+])NCc2ccccc2O)C1 ZINC000864452780 589365741 /nfs/dbraw/zinc/36/57/41/589365741.db2.gz JEDFEUMHQCFEAK-LLVKDONJSA-N 1 0 247.342 2.148 20 10 BECDRO CC(C)(F)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865654826 589454492 /nfs/dbraw/zinc/45/44/92/589454492.db2.gz WHZQIKCGSNSXLY-UHFFFAOYSA-N 1 0 223.291 2.459 20 10 BECDRO Oc1cc2c(cc1C[NH2+]CCC1CCC1)OCO2 ZINC000123015789 589652123 /nfs/dbraw/zinc/65/21/23/589652123.db2.gz ZETXSBJEQRMZBF-UHFFFAOYSA-N 1 0 249.310 2.401 20 10 BECDRO COc1ccc(C[NH2+]CC(C)(C)CO)cc1C ZINC000124301445 589974349 /nfs/dbraw/zinc/97/43/49/589974349.db2.gz RCUXWYAHYYMVSO-UHFFFAOYSA-N 1 0 237.343 2.112 20 10 BECDRO Cc1cccc(O)c1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000876512321 590206073 /nfs/dbraw/zinc/20/60/73/590206073.db2.gz LNESBUSUQIECAE-RYUDHWBXSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCO2)c(O)c1 ZINC000876566839 590216893 /nfs/dbraw/zinc/21/68/93/590216893.db2.gz UXXSZVPXWAKPLG-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO C[N@H+](CCC[C@H]1CCO1)Cc1ccccc1O ZINC000876616150 590222459 /nfs/dbraw/zinc/22/24/59/590222459.db2.gz TUALWTMKQZEBGH-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1ccc(C[N@H+](C)Cc2cnccn2)c(O)c1 ZINC000876643795 590225444 /nfs/dbraw/zinc/22/54/44/590225444.db2.gz NBBKVUNTOKTTLU-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@@H](N(C)C)C2)c(O)c1 ZINC000876678131 590229667 /nfs/dbraw/zinc/22/96/67/590229667.db2.gz BXTRHGPQQPTRBU-CQSZACIVSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000876685069 590230159 /nfs/dbraw/zinc/23/01/59/590230159.db2.gz XBBXGNSWMLORSP-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c(O)c1 ZINC000876748796 590236916 /nfs/dbraw/zinc/23/69/16/590236916.db2.gz FRMUARPXZOWQFC-TZMCWYRMSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000876749436 590237269 /nfs/dbraw/zinc/23/72/69/590237269.db2.gz KCHIMTPVCBKKPU-OLZOCXBDSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000876749439 590237395 /nfs/dbraw/zinc/23/73/95/590237395.db2.gz KCHIMTPVCBKKPU-QWHCGFSZSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccco2)c(O)c1 ZINC000876917776 590256978 /nfs/dbraw/zinc/25/69/78/590256978.db2.gz WIEIYBQQSYQQJM-CYBMUJFWSA-N 1 0 247.294 2.117 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccco2)c(O)c1 ZINC000876917777 590257123 /nfs/dbraw/zinc/25/71/23/590257123.db2.gz WIEIYBQQSYQQJM-ZDUSSCGKSA-N 1 0 247.294 2.117 20 10 BECDRO Cc1cccc(O)c1C[NH2+]Cc1nccs1 ZINC000876955343 590261053 /nfs/dbraw/zinc/26/10/53/590261053.db2.gz WIFIRQYJMZEYGG-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCOC1 ZINC000876955950 590261155 /nfs/dbraw/zinc/26/11/55/590261155.db2.gz FLRKVSVQUXBSGY-LBPRGKRZSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](CO)CC(C)C)c(O)c1 ZINC000876966547 590261861 /nfs/dbraw/zinc/26/18/61/590261861.db2.gz TYIQOKAZOAPWFF-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(C[NH2+][C@H](CO)CC(C)C)c(O)c1 ZINC000876966548 590261893 /nfs/dbraw/zinc/26/18/93/590261893.db2.gz TYIQOKAZOAPWFF-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCCO1 ZINC000876971450 590263189 /nfs/dbraw/zinc/26/31/89/590263189.db2.gz ICJOLVQVVIITMF-GFCCVEGCSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H](O)CC(C)C)c(O)c1 ZINC000876990284 590266367 /nfs/dbraw/zinc/26/63/67/590266367.db2.gz WMRQMJQLVYTJCR-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC1CCOCC1 ZINC000876998660 590267361 /nfs/dbraw/zinc/26/73/61/590267361.db2.gz LSRKRSJNLCGLLP-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(C)cc1O ZINC000877024541 590270468 /nfs/dbraw/zinc/27/04/68/590270468.db2.gz HELYFAVZZDRHOS-BXUZGUMPSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCOCC1CC1 ZINC000877027152 590271046 /nfs/dbraw/zinc/27/10/46/590271046.db2.gz JRENNXPTFQIXMM-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO CC[C@@H](O)CCC[NH2+]Cc1c(C)cccc1O ZINC000877055250 590275174 /nfs/dbraw/zinc/27/51/74/590275174.db2.gz RATANBFNFZSVJF-GFCCVEGCSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)CCO ZINC000877065284 590276623 /nfs/dbraw/zinc/27/66/23/590276623.db2.gz YAPYPYFCYXRBTC-UHFFFAOYSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCc1cscn1 ZINC000877061398 590276904 /nfs/dbraw/zinc/27/69/04/590276904.db2.gz GVMJUTVWILAQPJ-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c(O)c1 ZINC000877094828 590282115 /nfs/dbraw/zinc/28/21/15/590282115.db2.gz UGLIPNWAKUKLHH-MQMHXKEQSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000877095435 590282147 /nfs/dbraw/zinc/28/21/47/590282147.db2.gz YGWFYRZYGUTVFA-JOCQHMNTSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCC[C@H](C)CO ZINC000877128217 590290037 /nfs/dbraw/zinc/29/00/37/590290037.db2.gz QZWOTGLWHIGKHC-NSHDSACASA-N 1 0 237.343 2.199 20 10 BECDRO Cc1c(C[NH2+]Cc2c(C)cccc2O)cnn1C ZINC000877130836 590290100 /nfs/dbraw/zinc/29/01/00/590290100.db2.gz UVIMEXACIDHXTB-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO CCOCC[N@H+](C)Cc1c(C)cccc1O ZINC000877172174 590296482 /nfs/dbraw/zinc/29/64/82/590296482.db2.gz LYVSSZXSMUNKMV-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO COC1(C[NH2+]Cc2c(C)cccc2O)CCC1 ZINC000877182633 590298263 /nfs/dbraw/zinc/29/82/63/590298263.db2.gz PIALNMODKMLAFR-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH+]2CCC(C)(CO)CC2)c(O)c1 ZINC000877360571 590318797 /nfs/dbraw/zinc/31/87/97/590318797.db2.gz NMULAQYCJSNSED-UHFFFAOYSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1ccc(C[NH2+]CC2(CO)CCCC2)c(O)c1 ZINC000877404442 590323668 /nfs/dbraw/zinc/32/36/68/590323668.db2.gz BFAAVWGFTAGMHQ-UHFFFAOYSA-N 1 0 249.354 2.343 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCOC(F)(F)F ZINC000877469698 590335269 /nfs/dbraw/zinc/33/52/69/590335269.db2.gz YALCMGXJFDFEHZ-UHFFFAOYSA-N 1 0 249.232 2.327 20 10 BECDRO CC[C@@]1([NH2+]Cc2ccc(C)cc2O)CCOC1 ZINC000877473691 590336127 /nfs/dbraw/zinc/33/61/27/590336127.db2.gz PXPWTAYKBWNEBZ-CQSZACIVSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCC1(O)CCC1 ZINC000877508202 590343035 /nfs/dbraw/zinc/34/30/35/590343035.db2.gz SHEDBKARKJPFBA-UHFFFAOYSA-N 1 0 235.327 2.095 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCCOC(F)F ZINC000877503494 590343326 /nfs/dbraw/zinc/34/33/26/590343326.db2.gz NXEKNBBZTXRJHY-UHFFFAOYSA-N 1 0 245.269 2.420 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c(O)c1 ZINC000877518738 590345584 /nfs/dbraw/zinc/34/55/84/590345584.db2.gz GGLNBTCBZXHSHI-STQMWFEESA-N 1 0 249.354 2.463 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000877553081 590354893 /nfs/dbraw/zinc/35/48/93/590354893.db2.gz JAIWJPBITDQMSJ-IUODEOHRSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2COCC2(C)C)c(O)c1 ZINC000877572791 590363414 /nfs/dbraw/zinc/36/34/14/590363414.db2.gz LAOGTHMQJJJTPO-CYBMUJFWSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(O)c1 ZINC000877586185 590367968 /nfs/dbraw/zinc/36/79/68/590367968.db2.gz WGLRDAHYUQCPTD-KGLIPLIRSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC1CCC(O)CC1 ZINC000877635786 590380870 /nfs/dbraw/zinc/38/08/70/590380870.db2.gz DTWVZCNRXBJLLI-UHFFFAOYSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c(O)c1 ZINC000877646507 590384046 /nfs/dbraw/zinc/38/40/46/590384046.db2.gz JFYSBXTVUDKAKH-TZMCWYRMSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c(O)c1 ZINC000877651715 590384743 /nfs/dbraw/zinc/38/47/43/590384743.db2.gz JSBSXGCYLCZIFB-SWLSCSKDSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000877652153 590385305 /nfs/dbraw/zinc/38/53/05/590385305.db2.gz COCFFJVEQVNRLS-ZDUSSCGKSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1 ZINC000877681287 590390140 /nfs/dbraw/zinc/39/01/40/590390140.db2.gz FXVMSSRAVDBKDV-NQBHXWOUSA-N 1 0 235.327 2.356 20 10 BECDRO C[C@@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccccc1O ZINC000877755581 590417335 /nfs/dbraw/zinc/41/73/35/590417335.db2.gz GLTWUXBGGHVFQA-UTUOFQBUSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)O1 ZINC000127711206 590757025 /nfs/dbraw/zinc/75/70/25/590757025.db2.gz QEUFPJFNRVWLFZ-DOMZBBRYSA-N 1 0 248.370 2.410 20 10 BECDRO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1ccccc1O ZINC000879651356 590843976 /nfs/dbraw/zinc/84/39/76/590843976.db2.gz RWTBPIRIFNLSNN-UQSGXBNBSA-N 1 0 249.310 2.162 20 10 BECDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000880439517 591042033 /nfs/dbraw/zinc/04/20/33/591042033.db2.gz BKMNWWJBWFGSDJ-IUODEOHRSA-N 1 0 248.370 2.098 20 10 BECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000212585961 591416482 /nfs/dbraw/zinc/41/64/82/591416482.db2.gz DNKIUFOYTQVOSD-CYBMUJFWSA-N 1 0 247.342 2.082 20 10 BECDRO C[C@H]([NH2+][C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000131208888 591571505 /nfs/dbraw/zinc/57/15/05/591571505.db2.gz XSGAYVFKSBXYPA-AAEUAGOBSA-N 1 0 234.343 2.192 20 10 BECDRO Oc1ccccc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883392044 591644162 /nfs/dbraw/zinc/64/41/62/591644162.db2.gz ZCMDVPSXPJXPLP-UHFFFAOYSA-N 1 0 247.338 2.441 20 10 BECDRO CC[C@H](C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000132027256 591684525 /nfs/dbraw/zinc/68/45/25/591684525.db2.gz KTMRAJSSWGUCIB-VIFPVBQESA-N 1 0 237.299 2.351 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000132300926 591699610 /nfs/dbraw/zinc/69/96/10/591699610.db2.gz LNCKOUAGIOQLIY-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO CC(C)OCC[NH2+][C@@H](C)c1ccccc1O ZINC000133881901 591865940 /nfs/dbraw/zinc/86/59/40/591865940.db2.gz HRTFMOHWBCODDF-NSHDSACASA-N 1 0 223.316 2.468 20 10 BECDRO C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000134229616 591903256 /nfs/dbraw/zinc/90/32/56/591903256.db2.gz XUVSYQFMMSQXQP-VIFPVBQESA-N 1 0 249.310 2.257 20 10 BECDRO COc1ccc(C[NH2+]CC2(O)CCC2)cc1C ZINC000134515417 591932613 /nfs/dbraw/zinc/93/26/13/591932613.db2.gz PFNPVBITLCJPRV-UHFFFAOYSA-N 1 0 235.327 2.008 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC2(CO)CCCC2)c1 ZINC000135073454 591982344 /nfs/dbraw/zinc/98/23/44/591982344.db2.gz GBRVKUWUIVRGHA-UHFFFAOYSA-N 1 0 249.354 2.343 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@H]1C[C@]12CCOC2 ZINC000886065360 592142094 /nfs/dbraw/zinc/14/20/94/592142094.db2.gz SPQOCVPPIHOWJN-HIFRSBDPSA-N 1 0 247.338 2.251 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@@]12CCOC2 ZINC000886065359 592142309 /nfs/dbraw/zinc/14/23/09/592142309.db2.gz SPQOCVPPIHOWJN-DZGCQCFKSA-N 1 0 247.338 2.251 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886289592 592201809 /nfs/dbraw/zinc/20/18/09/592201809.db2.gz YUNFFUNEISCTEH-CYBMUJFWSA-N 1 0 247.338 2.441 20 10 BECDRO CCOC1CC([NH2+]Cc2cc(C)ccc2O)C1 ZINC000218987742 592202652 /nfs/dbraw/zinc/20/26/52/592202652.db2.gz HKRJNXAONAUWRO-UHFFFAOYSA-N 1 0 235.327 2.358 20 10 BECDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000220662420 592321764 /nfs/dbraw/zinc/32/17/64/592321764.db2.gz OOZOOQMOHXPQKB-ONGXEEELSA-N 1 0 223.341 2.376 20 10 BECDRO OCc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000222111958 592467601 /nfs/dbraw/zinc/46/76/01/592467601.db2.gz GPPRKAYAPCZTNW-UHFFFAOYSA-N 1 0 243.306 2.174 20 10 BECDRO C[C@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccccc1O ZINC000300613725 592516178 /nfs/dbraw/zinc/51/61/78/592516178.db2.gz STVLIJJLGWFINX-SDDRHHMPSA-N 1 0 235.327 2.468 20 10 BECDRO CO[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C12CCC2 ZINC000308343745 631296999 /nfs/dbraw/zinc/29/69/99/631296999.db2.gz LPIQREKRZBNMSK-KBPBESRZSA-N 1 0 247.338 2.439 20 10 BECDRO CC(C)(C)OCC[NH2+]Cc1cc(F)ccc1O ZINC000308753885 631361698 /nfs/dbraw/zinc/36/16/98/631361698.db2.gz VMHWNIPKZBGPGZ-UHFFFAOYSA-N 1 0 241.306 2.436 20 10 BECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCF ZINC000308504053 631412871 /nfs/dbraw/zinc/41/28/71/631412871.db2.gz CLTOFICNTHBINJ-UHFFFAOYSA-N 1 0 221.634 2.244 20 10 BECDRO CC1(C[NH2+]Cc2cc(Cl)ccc2O)COC1 ZINC000082694139 631413016 /nfs/dbraw/zinc/41/30/16/631413016.db2.gz WYGUWISQOBLBLJ-UHFFFAOYSA-N 1 0 241.718 2.172 20 10 BECDRO COc1ccc(C[NH2+]CC2(CO)CCC2)cc1C ZINC000258968025 631697580 /nfs/dbraw/zinc/69/75/80/631697580.db2.gz LBENLLQEWLGOGJ-UHFFFAOYSA-N 1 0 249.354 2.256 20 10 BECDRO C[C@@H]([NH2+]Cc1cncn1C)c1cc(F)ccc1O ZINC000289842449 632648557 /nfs/dbraw/zinc/64/85/57/632648557.db2.gz PZAKMDAGRRBMFP-SECBINFHSA-N 1 0 249.289 2.116 20 10 BECDRO OC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000310115242 632702742 /nfs/dbraw/zinc/70/27/42/632702742.db2.gz CAOUWIFCOCKGKE-AAEUAGOBSA-N 1 0 235.327 2.033 20 10 BECDRO CC[C@@H](CCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310250072 632711615 /nfs/dbraw/zinc/71/16/15/632711615.db2.gz JZYIDGUVNLOZOC-RYUDHWBXSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccccc1O ZINC000310442065 632742521 /nfs/dbraw/zinc/74/25/21/632742521.db2.gz SQEZAFQTNPPXIO-HZMBPMFUSA-N 1 0 235.327 2.204 20 10 BECDRO COc1cccc(C[NH2+]CCCCF)c1O ZINC000309306679 632917163 /nfs/dbraw/zinc/91/71/63/632917163.db2.gz ZVWHCVBFILEYNH-UHFFFAOYSA-N 1 0 227.279 2.240 20 10 BECDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H]2C)c1O ZINC000309392374 633007324 /nfs/dbraw/zinc/00/73/24/633007324.db2.gz FOZGJPUMTQVEOE-GXSJLCMTSA-N 1 0 221.300 2.289 20 10 BECDRO COC(CC[NH2+][C@H](C)c1ccccc1O)OC ZINC000879648877 635872677 /nfs/dbraw/zinc/87/26/77/635872677.db2.gz DOMXPSCAMYFQFK-SNVBAGLBSA-N 1 0 239.315 2.052 20 10 BECDRO CCOC[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000162860738 633040037 /nfs/dbraw/zinc/04/00/37/633040037.db2.gz WOHGPBAYWFGXGJ-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO Oc1ccccc1C[NH2+]CCOC(F)(F)F ZINC000162957919 633042835 /nfs/dbraw/zinc/04/28/35/633042835.db2.gz CORGOYWWDWJBLG-UHFFFAOYSA-N 1 0 235.205 2.018 20 10 BECDRO COCC1([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000309432379 633065398 /nfs/dbraw/zinc/06/53/98/633065398.db2.gz GMKGNOLVJYZRQE-SNVBAGLBSA-N 1 0 221.300 2.222 20 10 BECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)O)c1O ZINC000309878561 633889750 /nfs/dbraw/zinc/88/97/50/633889750.db2.gz ULKAHHXZIBFAPY-RKDXNWHRSA-N 1 0 243.734 2.385 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](C)OC)c1ccccc1O ZINC000182435761 633945075 /nfs/dbraw/zinc/94/50/75/633945075.db2.gz ZPGWMGKMBPIYHN-CMPLNLGQSA-N 1 0 223.316 2.468 20 10 BECDRO COc1cccc(O)c1C[NH2+]CCCCF ZINC000309840755 634022792 /nfs/dbraw/zinc/02/27/92/634022792.db2.gz DAWRMJGBGAYHKA-UHFFFAOYSA-N 1 0 227.279 2.240 20 10 BECDRO CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C)cc1O ZINC000925782594 635278387 /nfs/dbraw/zinc/27/83/87/635278387.db2.gz GRKBYUGGFAGAMY-MRVWCRGKSA-N 1 0 248.370 2.349 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]C[C@H]2C)c(O)c1C ZINC000925782748 635279914 /nfs/dbraw/zinc/27/99/14/635279914.db2.gz HOQZBMRCROCUPU-SCDSUCTJSA-N 1 0 248.370 2.268 20 10 BECDRO CC[C@](C)(C[NH2+]Cc1cc(F)ccc1O)OC ZINC000322639363 636875379 /nfs/dbraw/zinc/87/53/79/636875379.db2.gz TWTBVZNTPFIESL-CYBMUJFWSA-N 1 0 241.306 2.436 20 10 BECDRO CC[C@H]([NH2+]CCn1cccn1)c1ccccc1O ZINC000042538924 637278209 /nfs/dbraw/zinc/27/82/09/637278209.db2.gz JKTZJIKNPFKWTN-ZDUSSCGKSA-N 1 0 245.326 2.330 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1O ZINC000224865413 640646297 /nfs/dbraw/zinc/64/62/97/640646297.db2.gz ULGHBMCTHPYYSE-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000158219991 640824798 /nfs/dbraw/zinc/82/47/98/640824798.db2.gz CZYJPRIKNSJMRC-QWHCGFSZSA-N 1 0 235.327 2.439 20 10 BECDRO C[C@@H](CO)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311177209 640830801 /nfs/dbraw/zinc/83/08/01/640830801.db2.gz VHYWGIZAQKGLTQ-YPMHNXCESA-N 1 0 249.354 2.378 20 10 BECDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000227826407 640850660 /nfs/dbraw/zinc/85/06/60/640850660.db2.gz UGSKVKCVSBNJDF-CHWSQXEVSA-N 1 0 235.327 2.295 20 10 BECDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000227826420 640851090 /nfs/dbraw/zinc/85/10/90/640851090.db2.gz UGSKVKCVSBNJDF-QWHCGFSZSA-N 1 0 235.327 2.295 20 10 BECDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000228087756 640860599 /nfs/dbraw/zinc/86/05/99/640860599.db2.gz OGJIPWRILGUFGM-UTLUCORTSA-N 1 0 241.306 2.341 20 10 BECDRO CC(C)OCCN1CCCc2cc(C[NH3+])ccc21 ZINC000062801615 641091137 /nfs/dbraw/zinc/09/11/37/641091137.db2.gz XXMLKMZIKMDPPT-UHFFFAOYSA-N 1 0 248.370 2.323 20 10 BECDRO Oc1ccccc1C[NH2+]CCC(F)(F)F ZINC000063099064 641131540 /nfs/dbraw/zinc/13/15/40/641131540.db2.gz MABMZQFFDMAYCZ-UHFFFAOYSA-N 1 0 219.206 2.434 20 10 BECDRO CC[C@H]([NH2+]CCOC)c1ccc(N(C)C)cc1 ZINC000152120918 641522371 /nfs/dbraw/zinc/52/23/71/641522371.db2.gz OYRFSPJYAPIZCY-AWEZNQCLSA-N 1 0 236.359 2.440 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc[nH]n2)c(O)c1 ZINC000041014723 641539199 /nfs/dbraw/zinc/53/91/99/641539199.db2.gz RATXWMUDNJHLAX-SNVBAGLBSA-N 1 0 231.299 2.275 20 10 BECDRO CC1(C[NH2+]CCc2ccc(N)cc2)CC1 ZINC000232874896 642020821 /nfs/dbraw/zinc/02/08/21/642020821.db2.gz PMTXGAYHMDNRNI-UHFFFAOYSA-N 1 0 204.317 2.201 20 10 BECDRO C[C@H]([NH2+]Cc1cncn1C)c1cc(F)ccc1O ZINC000289844196 642320920 /nfs/dbraw/zinc/32/09/20/642320920.db2.gz PZAKMDAGRRBMFP-VIFPVBQESA-N 1 0 249.289 2.116 20 10 BECDRO CSCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921481270 642635235 /nfs/dbraw/zinc/63/52/35/642635235.db2.gz FRVAWGQZTFPBSA-UHFFFAOYSA-N 1 0 237.368 2.464 20 10 BECDRO C[C@H]1C[NH+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000097987279 642651451 /nfs/dbraw/zinc/65/14/51/642651451.db2.gz GZJISGMQQYWBDG-UWVGGRQHSA-N 1 0 249.310 2.209 20 10 BECDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000305855745 642708412 /nfs/dbraw/zinc/70/84/12/642708412.db2.gz BNNZQVHZOFMNKK-SKDRFNHKSA-N 1 0 239.290 2.046 20 10 BECDRO C[N@@H+]1CC[C@@H](CSc2nccs2)C1 ZINC000187682057 643091259 /nfs/dbraw/zinc/09/12/59/643091259.db2.gz QSACTAUWLWXVAS-MRVPVSSYSA-N 1 0 214.359 2.187 20 10 BECDRO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(N(C)C)cc1 ZINC000071301719 643128179 /nfs/dbraw/zinc/12/81/79/643128179.db2.gz JVTCQOHUZMRBJI-XHDPSFHLSA-N 1 0 248.370 2.174 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CCO)c(O)c1 ZINC000097439711 643131320 /nfs/dbraw/zinc/13/13/20/643131320.db2.gz KCJAKFGUPZSGJY-NEPJUHHUSA-N 1 0 237.343 2.370 20 10 BECDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000932339111 643139801 /nfs/dbraw/zinc/13/98/01/643139801.db2.gz NBMBCODLPKCOHZ-ZDUSSCGKSA-N 1 0 248.370 2.363 20 10 BECDRO CC1(C)CC[C@H](C[NH2+]Cc2ccccc2O)O1 ZINC000184768851 643237048 /nfs/dbraw/zinc/23/70/48/643237048.db2.gz DLIHTLMKPBJJSA-GFCCVEGCSA-N 1 0 235.327 2.439 20 10 BECDRO OCCCCCC[NH2+]Cc1cc(F)ccc1O ZINC000083369415 643440424 /nfs/dbraw/zinc/44/04/24/643440424.db2.gz RESCOQBJNTYKLK-UHFFFAOYSA-N 1 0 241.306 2.174 20 10 BECDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000044688686 643548077 /nfs/dbraw/zinc/54/80/77/643548077.db2.gz PDIYSYCEVSBZRQ-WDEREUQCSA-N 1 0 223.316 2.468 20 10 BECDRO CCOC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000044688141 643548762 /nfs/dbraw/zinc/54/87/62/643548762.db2.gz ONKKNUXURBHYHF-LBPRGKRZSA-N 1 0 236.359 2.267 20 10 BECDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1O ZINC000816647594 643555833 /nfs/dbraw/zinc/55/58/33/643555833.db2.gz VIQPEGIBVJQPLD-ZJUUUORDSA-N 1 0 221.300 2.241 20 10 BECDRO COC1CC([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921994476 643838411 /nfs/dbraw/zinc/83/84/11/643838411.db2.gz NSLHDKIFWAZFBB-UHFFFAOYSA-N 1 0 247.338 2.279 20 10 BECDRO O[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922310933 643965480 /nfs/dbraw/zinc/96/54/80/643965480.db2.gz WONFPOYSCRGSIB-KBPBESRZSA-N 1 0 247.338 2.015 20 10 BECDRO CCC[C@@H](O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922823995 644100559 /nfs/dbraw/zinc/10/05/59/644100559.db2.gz FAPWUMHMWYYCMU-CQSZACIVSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000192596451 644167784 /nfs/dbraw/zinc/16/77/84/644167784.db2.gz NURKTLAVJHCPTM-NSHDSACASA-N 1 0 247.338 2.102 20 10 BECDRO COc1ccc(N(C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000089749352 644564898 /nfs/dbraw/zinc/56/48/98/644564898.db2.gz QWMYTXIDZCQXFM-LBPRGKRZSA-N 1 0 234.343 2.131 20 10 BECDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000248385032 644676386 /nfs/dbraw/zinc/67/63/86/644676386.db2.gz GYCQFIWHSZBRRN-MISXGVKJSA-N 1 0 237.343 2.450 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](OC)C2)cc1 ZINC000773756184 644696057 /nfs/dbraw/zinc/69/60/57/644696057.db2.gz ULQIKNFFWVXKCX-HNNXBMFYSA-N 1 0 248.370 2.363 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1C ZINC000304282195 644886350 /nfs/dbraw/zinc/88/63/50/644886350.db2.gz DZIOQYNQNXVKLU-OCCSQVGLSA-N 1 0 249.354 2.260 20 10 BECDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000252763528 644899903 /nfs/dbraw/zinc/89/99/03/644899903.db2.gz OGJIPWRILGUFGM-KXUCPTDWSA-N 1 0 241.306 2.341 20 10 BECDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(F)cc1[O-] ZINC000817979832 644993307 /nfs/dbraw/zinc/99/33/07/644993307.db2.gz PNOJIIRXJCWQIW-LNLATYFQSA-N 1 0 240.322 2.308 20 10 BECDRO C[C@@H](O)C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835047250 645163193 /nfs/dbraw/zinc/16/31/93/645163193.db2.gz DQIYCDNMHYPUFV-CFHLNLSMSA-N 1 0 248.370 2.078 20 10 BECDRO C[C@H](CO)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000846057029 645396085 /nfs/dbraw/zinc/39/60/85/645396085.db2.gz CSLUBLHMKVVPCH-GFCCVEGCSA-N 1 0 249.354 2.233 20 10 BECDRO CC[C@@H]([NH2+][C@@H](CO)CCF)c1ccccc1O ZINC000846096692 645403140 /nfs/dbraw/zinc/40/31/40/645403140.db2.gz KGLGDVGQADGBNS-ZYHUDNBSSA-N 1 0 241.306 2.153 20 10 BECDRO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000927151823 645574949 /nfs/dbraw/zinc/57/49/49/645574949.db2.gz GTNPWEHMKCKGKO-YRGRVCCFSA-N 1 0 248.370 2.174 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000877628005 645802498 /nfs/dbraw/zinc/80/24/98/645802498.db2.gz CGLIPPXKCSKBRA-JYAVWHMHSA-N 1 0 249.354 2.149 20 10 BECDRO COCC[N@H+](CCF)Cc1c(C)cccc1O ZINC000877627154 645803163 /nfs/dbraw/zinc/80/31/63/645803163.db2.gz MXWZXACBMBCEKI-UHFFFAOYSA-N 1 0 241.306 2.119 20 10 BECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)CO ZINC000924899791 646127539 /nfs/dbraw/zinc/12/75/39/646127539.db2.gz HMXKBUKWXMKBRK-NSHDSACASA-N 1 0 249.354 2.118 20 10 BECDRO COC/C(C)=C\C[N@H+](C)Cc1ccccc1O ZINC000929976819 646381458 /nfs/dbraw/zinc/38/14/58/646381458.db2.gz QIZZTMBJFBDAPP-WQLSENKSSA-N 1 0 235.327 2.417 20 10 BECDRO C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000925786107 646483581 /nfs/dbraw/zinc/48/35/81/646483581.db2.gz NXYVIWXQPYXQIA-TYNCELHUSA-N 1 0 247.386 2.011 20 10 BECDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Cl)ccc1O ZINC000382311077 711659593 /nfs/dbraw/zinc/65/95/93/711659593.db2.gz QAJWTUTYIOFZIQ-HNBZJPLGSA-N 1 0 241.718 2.220 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000708711148 712197370 /nfs/dbraw/zinc/19/73/70/712197370.db2.gz LBWKUZVKFVBIMI-WVSHTKLVSA-N 1 0 239.290 2.046 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CC23CC3)c1O ZINC000715370540 712521619 /nfs/dbraw/zinc/52/16/19/712521619.db2.gz MZNKFPCBLMESMB-NSHDSACASA-N 1 0 203.285 2.343 20 10 BECDRO Oc1ccccc1C[NH2+]C1(C2CC2)CC1 ZINC000380328177 712886820 /nfs/dbraw/zinc/88/68/20/712886820.db2.gz MWYDDZCDCIIHPV-UHFFFAOYSA-N 1 0 203.285 2.424 20 10 BECDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(C)(C)O ZINC000381287913 710615982 /nfs/dbraw/zinc/61/59/82/710615982.db2.gz ZZDZJDKNPLUFAL-MRVPVSSYSA-N 1 0 243.734 2.295 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000380571773 712901542 /nfs/dbraw/zinc/90/15/42/712901542.db2.gz OJVAQBZUPHFDBH-CABZTGNLSA-N 1 0 221.300 2.289 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000380571772 712901563 /nfs/dbraw/zinc/90/15/63/712901563.db2.gz OJVAQBZUPHFDBH-BXKDBHETSA-N 1 0 221.300 2.289 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)c2nccn21 ZINC000393318286 711158027 /nfs/dbraw/zinc/15/80/27/711158027.db2.gz CYAVOGIXFNBFCP-PWSUYJOCSA-N 1 0 243.310 2.384 20 10 BECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(C)(C)O ZINC000393971766 711180651 /nfs/dbraw/zinc/18/06/51/711180651.db2.gz OAQGMEQHSHBUDO-ONGXEEELSA-N 1 0 235.327 2.129 20 10 BECDRO CC(C)[C@@H](CO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000394065815 711183144 /nfs/dbraw/zinc/18/31/44/711183144.db2.gz ZRSMTJSYXMJBBB-CHWSQXEVSA-N 1 0 249.354 2.234 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000396520624 711222977 /nfs/dbraw/zinc/22/29/77/711222977.db2.gz DCXJDVMOPAGXLU-GFCCVEGCSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N(C)C)CC2)c1 ZINC000397956874 711397996 /nfs/dbraw/zinc/39/79/96/711397996.db2.gz FRSNCBOIZZVLHO-GFCCVEGCSA-N 1 0 248.370 2.445 20 10 BECDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000398238835 711405655 /nfs/dbraw/zinc/40/56/55/711405655.db2.gz XSHNJCHDDLCTPQ-RISCZKNCSA-N 1 0 247.338 2.279 20 10 BECDRO OCCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000381023236 710597194 /nfs/dbraw/zinc/59/71/94/710597194.db2.gz PUADAALJXSUKBB-LBPRGKRZSA-N 1 0 247.338 2.132 20 10 BECDRO COCC1([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000393816909 710787390 /nfs/dbraw/zinc/78/73/90/710787390.db2.gz YHMLVOGCWWSGQL-UHFFFAOYSA-N 1 0 241.718 2.314 20 10 BECDRO COc1ccc(C[NH2+]C[C@](C)(O)C2CC2)cc1C ZINC000386502484 711031053 /nfs/dbraw/zinc/03/10/53/711031053.db2.gz LHIHYBBAXBLIEG-HNNXBMFYSA-N 1 0 249.354 2.254 20 10 BECDRO Cc1nocc1C[NH2+]Cc1cc(F)ccc1O ZINC000397900599 711394780 /nfs/dbraw/zinc/39/47/80/711394780.db2.gz BJSFDOKREVGNJI-UHFFFAOYSA-N 1 0 236.246 2.118 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@@H](C)O1 ZINC000385120436 711665395 /nfs/dbraw/zinc/66/53/95/711665395.db2.gz KASZETQPVKYOTK-KBVBSXBZSA-N 1 0 239.290 2.187 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2COCC2(C)C)cc1 ZINC000313148857 711714063 /nfs/dbraw/zinc/71/40/63/711714063.db2.gz UHFDEKPTLHOQTF-AWEZNQCLSA-N 1 0 248.370 2.267 20 10 BECDRO CCN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000125100668 711716502 /nfs/dbraw/zinc/71/65/02/711716502.db2.gz HQFXIMTULOROEV-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO COc1ccc(N2CC[NH+](CC(C)C)CC2)cc1 ZINC000039317692 711755944 /nfs/dbraw/zinc/75/59/44/711755944.db2.gz FXAWXWPSWJQROJ-UHFFFAOYSA-N 1 0 248.370 2.473 20 10 BECDRO CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1O ZINC000042544574 711808637 /nfs/dbraw/zinc/80/86/37/711808637.db2.gz LAPIFNHSMSHJQV-DGCLKSJQSA-N 1 0 234.343 2.137 20 10 BECDRO CC[C@H]([NH2+][C@H]1CCN(C)C1)c1ccccc1O ZINC000042544576 711808659 /nfs/dbraw/zinc/80/86/59/711808659.db2.gz LAPIFNHSMSHJQV-AAEUAGOBSA-N 1 0 234.343 2.137 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000701075228 712013643 /nfs/dbraw/zinc/01/36/43/712013643.db2.gz NHHIBDMJAQNISH-ZFWWWQNUSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1ncc(C[NH2+][C@@H](C)c2ccccc2O)n1C ZINC000701827236 712030126 /nfs/dbraw/zinc/03/01/26/712030126.db2.gz YSMWIHMWUGIMNH-JTQLQIEISA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CCOCCF)c(O)c1 ZINC000702638355 712057828 /nfs/dbraw/zinc/05/78/28/712057828.db2.gz LRTZBMBCHCJPBY-NSHDSACASA-N 1 0 241.306 2.337 20 10 BECDRO CCO[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000706177231 712141379 /nfs/dbraw/zinc/14/13/79/712141379.db2.gz CNLXGHMGXXJUSF-LBPRGKRZSA-N 1 0 239.290 2.142 20 10 BECDRO CSC1CC([NH2+]Cc2ccccc2O)C1 ZINC000706793978 712156024 /nfs/dbraw/zinc/15/60/24/712156024.db2.gz AXSPILYSWMRQCS-UHFFFAOYSA-N 1 0 223.341 2.376 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000708711123 712197313 /nfs/dbraw/zinc/19/73/13/712197313.db2.gz HHMCMHBVBHUHMX-XBXGTLAGSA-N 1 0 247.338 2.136 20 10 BECDRO Cc1nc(C[NH2+]Cc2ccccc2O)[nH]c1C ZINC000708953419 712204418 /nfs/dbraw/zinc/20/44/18/712204418.db2.gz SSNGLVLNFGZUKI-UHFFFAOYSA-N 1 0 231.299 2.022 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](COC)C2)c1O ZINC000709309196 712219361 /nfs/dbraw/zinc/21/93/61/712219361.db2.gz SOJZBSZDYDMACZ-GFCCVEGCSA-N 1 0 249.354 2.423 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000709406633 712221296 /nfs/dbraw/zinc/22/12/96/712221296.db2.gz OANSYDBGEWLTCH-STQMWFEESA-N 1 0 249.354 2.204 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000709406628 712221491 /nfs/dbraw/zinc/22/14/91/712221491.db2.gz OANSYDBGEWLTCH-OLZOCXBDSA-N 1 0 249.354 2.204 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1(CO)CC1 ZINC000710185118 712247727 /nfs/dbraw/zinc/24/77/27/712247727.db2.gz OJPVBZUUCAWHRK-WDEREUQCSA-N 1 0 235.327 2.204 20 10 BECDRO COC(C)(C)CC[NH2+]Cc1cc(F)ccc1O ZINC000711856135 712335569 /nfs/dbraw/zinc/33/55/69/712335569.db2.gz SROUZEOHMYVYEZ-UHFFFAOYSA-N 1 0 241.306 2.436 20 10 BECDRO CCN1CC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000712612564 712437865 /nfs/dbraw/zinc/43/78/65/712437865.db2.gz BEVYCNIWNTVDAQ-OLZOCXBDSA-N 1 0 246.354 2.063 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000714703733 712496157 /nfs/dbraw/zinc/49/61/57/712496157.db2.gz HHMCMHBVBHUHMX-MQMHXKEQSA-N 1 0 247.338 2.136 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CC23CC3)c1O ZINC000715370538 712521953 /nfs/dbraw/zinc/52/19/53/712521953.db2.gz MZNKFPCBLMESMB-LLVKDONJSA-N 1 0 203.285 2.343 20 10 BECDRO Cc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)[nH]n1 ZINC000716456122 712562396 /nfs/dbraw/zinc/56/23/96/712562396.db2.gz HLKABWMZNJRGHH-LBPRGKRZSA-N 1 0 243.310 2.201 20 10 BECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716886563 712580508 /nfs/dbraw/zinc/58/05/08/712580508.db2.gz BCCOOVYOFLTNDC-BXUZGUMPSA-N 1 0 249.354 2.261 20 10 BECDRO CCC[C@H](CCO)[NH2+]Cc1ccccc1O ZINC000716930227 712596845 /nfs/dbraw/zinc/59/68/45/712596845.db2.gz LFTKFTZOBLPJNQ-GFCCVEGCSA-N 1 0 223.316 2.033 20 10 BECDRO CCN(CC)c1ccc(C[NH2+]C/C=C\CO)cc1 ZINC000717571730 712660702 /nfs/dbraw/zinc/66/07/02/712660702.db2.gz XYDTYBFWNPXRPU-WAYWQWQTSA-N 1 0 248.370 2.171 20 10 BECDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccccc1O ZINC000717603448 712662082 /nfs/dbraw/zinc/66/20/82/712662082.db2.gz IDXYJAZJAICCAK-ZWNOBZJWSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](C)CC2)c1 ZINC000720483492 712846590 /nfs/dbraw/zinc/84/65/90/712846590.db2.gz OLBICXHWGZFZQW-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(C[N@@H+]2CCO[C@H](C)CC2)c1O ZINC000720485373 712846769 /nfs/dbraw/zinc/84/67/69/712846769.db2.gz UOLTUMFUISOZIF-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000720978955 712885247 /nfs/dbraw/zinc/88/52/47/712885247.db2.gz WWTCJYUKYSFVFH-HUBLWGQQSA-N 1 0 248.370 2.174 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c(O)c1 ZINC000720993200 712886193 /nfs/dbraw/zinc/88/61/93/712886193.db2.gz BFBRQIRBNAUQMO-UTUOFQBUSA-N 1 0 235.327 2.122 20 10 BECDRO CC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1O ZINC000720995356 712886420 /nfs/dbraw/zinc/88/64/20/712886420.db2.gz QYHAXELNEHLPAN-LOWVWBTDSA-N 1 0 235.327 2.204 20 10 BECDRO CC[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141160230 960895364 /nfs/dbraw/zinc/89/53/64/960895364.db2.gz UNESFYMDTBESRX-NSHDSACASA-N 1 0 221.300 2.472 20 10 BECDRO Nc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC000711499342 962719598 /nfs/dbraw/zinc/71/95/98/962719598.db2.gz RONKHGOAINIMDL-LBPRGKRZSA-N 1 0 222.307 2.450 20 10 BECDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000699753265 966069405 /nfs/dbraw/zinc/06/94/05/966069405.db2.gz FPVIOOZGVRCVKY-GZMMTYOYSA-N 1 0 241.718 2.170 20 10 BECDRO Nc1ccc(CC[NH2+]Cc2nccs2)cc1 ZINC000049538981 1165743284 /nfs/dbraw/zinc/74/32/84/1165743284.db2.gz QMOUAVUOYCFBEJ-UHFFFAOYSA-N 1 0 233.340 2.058 20 10 BECDRO CCC[C@@H](C)[NH2+]Cc1cccc(O)c1O ZINC000041049384 1165777901 /nfs/dbraw/zinc/77/79/01/1165777901.db2.gz HMRUIPKXDYUJHB-SECBINFHSA-N 1 0 209.289 2.376 20 10 BECDRO CC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272260 966952029 /nfs/dbraw/zinc/95/20/29/966952029.db2.gz LCMSIDLTVBHHSH-UHFFFAOYSA-N 1 0 221.300 2.330 20 10 BECDRO CCSC[C@H](C)[NH2+]Cc1ccc(O)cc1O ZINC000127508236 1166025079 /nfs/dbraw/zinc/02/50/79/1166025079.db2.gz SYGSMIBNXZXISF-VIFPVBQESA-N 1 0 241.356 2.329 20 10 BECDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC000128443101 1166062568 /nfs/dbraw/zinc/06/25/68/1166062568.db2.gz HUOJUYAULVJSQS-MWLCHTKSSA-N 1 0 221.300 2.376 20 10 BECDRO COCC[N@H+](Cc1ccccc1O)C(C)C ZINC000132777828 1166151986 /nfs/dbraw/zinc/15/19/86/1166151986.db2.gz UKTHDBRLHYKSIP-UHFFFAOYSA-N 1 0 223.316 2.249 20 10 BECDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@H]1C ZINC000309867795 1166664084 /nfs/dbraw/zinc/66/40/84/1166664084.db2.gz PISSGYAVPXABEQ-KOLCDFICSA-N 1 0 221.300 2.289 20 10 BECDRO C[C@@H]1CSCC[N@H+](Cc2ccc(N)cc2)C1 ZINC000379501770 1166738849 /nfs/dbraw/zinc/73/88/49/1166738849.db2.gz DTGZWCKHHNZSMN-NSHDSACASA-N 1 0 236.384 2.454 20 10 BECDRO Cc1c(O)ccc(C[NH+]2CCCCC2)c1O ZINC000215711023 1166800189 /nfs/dbraw/zinc/80/01/89/1166800189.db2.gz YIZHHLBDMUYRCK-UHFFFAOYSA-N 1 0 221.300 2.392 20 10 BECDRO CCOc1ccc(N(C)C(C)(C)C[NH3+])cc1 ZINC000258931142 975214027 /nfs/dbraw/zinc/21/40/27/975214027.db2.gz VKPNMFXDAYCUKB-UHFFFAOYSA-N 1 0 222.332 2.259 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)c1O ZINC001231591224 1167661172 /nfs/dbraw/zinc/66/11/72/1167661172.db2.gz WOQOBXUWQLDYGS-SMDDNHRTSA-N 1 0 249.354 2.293 20 10 BECDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710999659 1168400236 /nfs/dbraw/zinc/40/02/36/1168400236.db2.gz NBXWWLFTMUFHLR-TZMCWYRMSA-N 1 0 247.338 2.136 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CC1=CCOCC1)CC2 ZINC000397755143 1169259563 /nfs/dbraw/zinc/25/95/63/1169259563.db2.gz RQMFHQNNEVTTMV-CYBMUJFWSA-N 1 0 245.322 2.316 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CO1 ZINC000402241370 970778619 /nfs/dbraw/zinc/77/86/19/970778619.db2.gz YBWZPHJCTHZASL-DTWKUNHWSA-N 1 0 241.718 2.313 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2ccns2)c1 ZINC000404346567 971158118 /nfs/dbraw/zinc/15/81/18/971158118.db2.gz VUUWEWJHPRFZET-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(N)cc1 ZINC001218029149 971578582 /nfs/dbraw/zinc/57/85/82/971578582.db2.gz ZHWYQPUNVFBQTB-GWCFXTLKSA-N 1 0 220.316 2.036 20 10 BECDRO Cc1cc(N)[nH+]cc1Nc1cccc(O)c1O ZINC001209967858 957590180 /nfs/dbraw/zinc/59/01/80/957590180.db2.gz SNUKRBXVQPOXDB-UHFFFAOYSA-N 1 0 231.255 2.127 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1O ZINC000690789011 959839576 /nfs/dbraw/zinc/83/95/76/959839576.db2.gz HIOCNSHJCLNYGJ-ZIAGYGMSSA-N 1 0 247.338 2.169 20 10 BECDRO CCN1CCC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC001140948256 960124601 /nfs/dbraw/zinc/12/46/01/960124601.db2.gz ADCVRBSKLDUTOV-UHFFFAOYSA-N 1 0 248.370 2.228 20 10 BECDRO Cc1c(O)ccc(C[NH+]2CC3CC(C3)C2)c1O ZINC001140748196 960550638 /nfs/dbraw/zinc/55/06/38/960550638.db2.gz ULNGTBJGQUJFRF-UHFFFAOYSA-N 1 0 233.311 2.248 20 10 BECDRO CN(C)c1ccc(CN(C)Cc2cnco2)cc1 ZINC001140934092 960718722 /nfs/dbraw/zinc/71/87/22/960718722.db2.gz SQFKXZPPKKRQNU-UHFFFAOYSA-N 1 0 245.326 2.373 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001140948183 960741783 /nfs/dbraw/zinc/74/17/83/960741783.db2.gz WYTLMSJTMFOEMJ-SWLSCSKDSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@@H+]2CCCC[C@H](O)C2)c(O)c1 ZINC001140947872 960743553 /nfs/dbraw/zinc/74/35/53/960743553.db2.gz JCHYDWDBAIMKJL-ZDUSSCGKSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001140947961 960745168 /nfs/dbraw/zinc/74/51/68/960745168.db2.gz NGVIAQGIUSGIGG-PWSUYJOCSA-N 1 0 223.291 2.490 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001140947757 960750405 /nfs/dbraw/zinc/75/04/05/960750405.db2.gz DRHANELDOHTUAY-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140957466 960755244 /nfs/dbraw/zinc/75/52/44/960755244.db2.gz AALXBUWXSCCXOG-LBPRGKRZSA-N 1 0 233.311 2.112 20 10 BECDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140957744 960755703 /nfs/dbraw/zinc/75/57/03/960755703.db2.gz MIITZYXPNRZNRN-ZFWWWQNUSA-N 1 0 247.338 2.454 20 10 BECDRO CC[N@H+](Cc1cc(O)ccc1O)C1CC1 ZINC001141156485 960890767 /nfs/dbraw/zinc/89/07/67/960890767.db2.gz YHGFQTMJELDFDR-UHFFFAOYSA-N 1 0 207.273 2.082 20 10 BECDRO Oc1ccc(O)c(C[NH+]2C3CCC2CC3)c1 ZINC001141160271 960894505 /nfs/dbraw/zinc/89/45/05/960894505.db2.gz VGOLAWPZKRYENQ-UHFFFAOYSA-N 1 0 219.284 2.225 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC001141163318 960902640 /nfs/dbraw/zinc/90/26/40/960902640.db2.gz ZNAQQSTWWCBVGZ-SNVBAGLBSA-N 1 0 225.263 2.032 20 10 BECDRO CC(C)(C)c1cccc(C[NH+]2CC(CO)C2)c1O ZINC001143111019 961881769 /nfs/dbraw/zinc/88/17/69/961881769.db2.gz UPNAPQKWUFDKQR-UHFFFAOYSA-N 1 0 249.354 2.114 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)C2CCN(C)CC2)c1 ZINC000131725155 962311144 /nfs/dbraw/zinc/31/11/44/962311144.db2.gz MUTPXVISADNOOW-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO Nc1ccc(Nc2cc([C@H]3CCC[NH2+]3)no2)cc1 ZINC001159305450 964060468 /nfs/dbraw/zinc/06/04/68/964060468.db2.gz PBDVKXPSIFBZCA-LLVKDONJSA-N 1 0 244.298 2.425 20 10 BECDRO Cc1cccc(CNc2cc(N)cc[nH+]2)c1O ZINC001160764146 964409614 /nfs/dbraw/zinc/40/96/14/964409614.db2.gz DFCSWDAUHARHAT-UHFFFAOYSA-N 1 0 229.283 2.290 20 10 BECDRO CNc1ccccc1NC1C[NH+](C(C)C)C1 ZINC001168316932 964432414 /nfs/dbraw/zinc/43/24/14/964432414.db2.gz AQKBLTHORDZEIA-UHFFFAOYSA-N 1 0 219.332 2.233 20 10 BECDRO CNc1ccccc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163269286 965324181 /nfs/dbraw/zinc/32/41/81/965324181.db2.gz YLFRIEVGWBTZLX-WOPDTQHZSA-N 1 0 231.343 2.138 20 10 BECDRO COc1ccc(N2CC[C@H]([NH3+])C2)cc1C(C)C ZINC001164289120 965831249 /nfs/dbraw/zinc/83/12/49/965831249.db2.gz VFGRNFIYEBYTAO-NSHDSACASA-N 1 0 234.343 2.356 20 10 BECDRO Cn1cccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001203267308 966589075 /nfs/dbraw/zinc/58/90/75/966589075.db2.gz JKUOJPVKTOCCIZ-UHFFFAOYSA-N 1 0 242.322 2.289 20 10 BECDRO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001203549931 966673977 /nfs/dbraw/zinc/67/39/77/966673977.db2.gz DCAQOXXAFYGCFI-SRVKXCTJSA-N 1 0 221.275 2.182 20 10 BECDRO Oc1ccccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001203550152 966679321 /nfs/dbraw/zinc/67/93/21/966679321.db2.gz KGGVNAMSNVUWMI-UHFFFAOYSA-N 1 0 247.338 2.395 20 10 BECDRO Oc1ccccc1C[NH+]1CCC2(COC2)CC1 ZINC001203546860 966681101 /nfs/dbraw/zinc/68/11/01/966681101.db2.gz APUPOUFQTVPXPS-UHFFFAOYSA-N 1 0 233.311 2.005 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001203550227 966682111 /nfs/dbraw/zinc/68/21/11/966682111.db2.gz NCXYFBFXTXNNFO-RISCZKNCSA-N 1 0 233.311 2.003 20 10 BECDRO C[C@@]1(O)CCCC[N@H+](Cc2ccccc2O)C1 ZINC001203550477 966682651 /nfs/dbraw/zinc/68/26/51/966682651.db2.gz VIBMJCFABFCQTR-CQSZACIVSA-N 1 0 235.327 2.129 20 10 BECDRO CN(C1CC1)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203561276 966689668 /nfs/dbraw/zinc/68/96/68/966689668.db2.gz OWEAHDUDSQVLNW-AWEZNQCLSA-N 1 0 246.354 2.061 20 10 BECDRO CC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203556677 966690455 /nfs/dbraw/zinc/69/04/55/966690455.db2.gz WBWKIWOITHJART-UHFFFAOYSA-N 1 0 233.311 2.193 20 10 BECDRO CCCC[NH+]1CCN(Cc2ccccc2O)CC1 ZINC001203555806 966692147 /nfs/dbraw/zinc/69/21/47/966692147.db2.gz GKNKPSIOKPPQSA-UHFFFAOYSA-N 1 0 248.370 2.310 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000691301111 966787938 /nfs/dbraw/zinc/78/79/38/966787938.db2.gz CQGGGMKLBNCMJU-JSGCOSHPSA-N 1 0 233.311 2.049 20 10 BECDRO C[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874325 966790615 /nfs/dbraw/zinc/79/06/15/966790615.db2.gz UEDHNWZZMTUKFZ-JTQLQIEISA-N 1 0 221.300 2.330 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)C2(CC2)C1 ZINC001203881642 966808305 /nfs/dbraw/zinc/80/83/05/966808305.db2.gz SBXLCVSTRNGEGD-JTQLQIEISA-N 1 0 233.311 2.472 20 10 BECDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203930645 966824248 /nfs/dbraw/zinc/82/42/48/966824248.db2.gz BKMNWWJBWFGSDJ-WFASDCNBSA-N 1 0 248.370 2.098 20 10 BECDRO CO[C@H](C)C1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935780 966824961 /nfs/dbraw/zinc/82/49/61/966824961.db2.gz DESQEKJWYHKTPL-GFCCVEGCSA-N 1 0 248.370 2.219 20 10 BECDRO C[C@]1(F)CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276795 966949924 /nfs/dbraw/zinc/94/99/24/966949924.db2.gz RNAFAZRGUWSILS-ZDUSSCGKSA-N 1 0 239.290 2.422 20 10 BECDRO C[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204272546 966954682 /nfs/dbraw/zinc/95/46/82/966954682.db2.gz PZLZPLNKAJPHPT-VIFPVBQESA-N 1 0 207.273 2.082 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c(O)c1 ZINC001204278815 966960002 /nfs/dbraw/zinc/96/00/02/966960002.db2.gz KGRDMBBJQCZZIH-JTQLQIEISA-N 1 0 239.290 2.279 20 10 BECDRO COc1cc(C[NH+]2C3CCC2CC3)cc(O)c1O ZINC001204344365 966977588 /nfs/dbraw/zinc/97/75/88/966977588.db2.gz GKLYGHGGVTWUDE-UHFFFAOYSA-N 1 0 249.310 2.233 20 10 BECDRO C[N@H+](Cc1ccc(Cl)cc1O)C1CC(O)C1 ZINC001205340805 967552714 /nfs/dbraw/zinc/55/27/14/967552714.db2.gz LIULXMHVFHDQAV-UHFFFAOYSA-N 1 0 241.718 2.001 20 10 BECDRO [NH3+]CCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001117953506 967856589 /nfs/dbraw/zinc/85/65/89/967856589.db2.gz JJIONPXLGLEPPK-UHFFFAOYSA-N 1 0 246.713 2.013 20 10 BECDRO Cc1cc(OC(C)C)ccc1N1CC[C@H]([NH3+])C1 ZINC001164286373 968211245 /nfs/dbraw/zinc/21/12/45/968211245.db2.gz MTVJHFVWUBGAFD-LBPRGKRZSA-N 1 0 234.343 2.320 20 10 BECDRO CCCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001252109838 968592104 /nfs/dbraw/zinc/59/21/04/968592104.db2.gz CIIKWRUSEMGWBJ-AWEZNQCLSA-N 1 0 249.354 2.262 20 10 BECDRO CC(C)(O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001252368667 968648153 /nfs/dbraw/zinc/64/81/53/968648153.db2.gz LVJREDWCNGZBEN-UHFFFAOYSA-N 1 0 245.322 2.406 20 10 BECDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)C(C)C)c(O)c1 ZINC001253785620 969406687 /nfs/dbraw/zinc/40/66/87/969406687.db2.gz XZJVFRVJACWTKG-CQSZACIVSA-N 1 0 237.343 2.116 20 10 BECDRO Cc1cc(C)c(C[NH2+][C@H]2CCCOC2)c(O)c1 ZINC001254370752 969585341 /nfs/dbraw/zinc/58/53/41/969585341.db2.gz VTIYLBVSYABTKN-LBPRGKRZSA-N 1 0 235.327 2.278 20 10 BECDRO O=C1C[C@H]2CC([NH2+]Cc3ccccc3O)C[C@@H]2C1 ZINC001254921732 969822176 /nfs/dbraw/zinc/82/21/76/969822176.db2.gz GHBBFUJJKFRFLH-VXGBXAGGSA-N 1 0 245.322 2.240 20 10 BECDRO CCc1cccc(C[NH2+]CCCF)c1O ZINC000691459847 969959727 /nfs/dbraw/zinc/95/97/27/969959727.db2.gz NJUVMUTVRVYMFM-UHFFFAOYSA-N 1 0 211.280 2.404 20 10 BECDRO CCc1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1O ZINC000691483598 970008055 /nfs/dbraw/zinc/00/80/55/970008055.db2.gz RJSGJOKJAMGMNK-RISCZKNCSA-N 1 0 249.354 2.469 20 10 BECDRO CN(c1ccc2c(c1)C=CC2)C(C)(C)C[NH3+] ZINC001170059965 970116369 /nfs/dbraw/zinc/11/63/69/970116369.db2.gz ZQEIOHJZOYACMK-UHFFFAOYSA-N 1 0 216.328 2.429 20 10 BECDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001170102779 970306235 /nfs/dbraw/zinc/30/62/35/970306235.db2.gz CGQRLGSWEJFRSC-PWSUYJOCSA-N 1 0 235.327 2.419 20 10 BECDRO C[C@@H]([NH2+]CCc1cncn1C)c1ccccc1O ZINC000401796327 970726705 /nfs/dbraw/zinc/72/67/05/970726705.db2.gz FLKVGIQCKQBWNF-LLVKDONJSA-N 1 0 245.326 2.019 20 10 BECDRO CCCCC[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144500305 972848491 /nfs/dbraw/zinc/84/84/91/972848491.db2.gz RJBBOXUXBVBOFL-UHFFFAOYSA-N 1 0 239.315 2.425 20 10 BECDRO Oc1cc(O)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001144499180 972848762 /nfs/dbraw/zinc/84/87/62/972848762.db2.gz DHSFWDYTVAWFDV-UWVGGRQHSA-N 1 0 249.310 2.035 20 10 BECDRO Oc1cc(O)c(C[NH+]2CC3(C2)CCCC3)c(O)c1 ZINC001144504108 972850102 /nfs/dbraw/zinc/85/01/02/972850102.db2.gz LXTDEBOUESXSPS-UHFFFAOYSA-N 1 0 249.310 2.179 20 10 BECDRO Oc1cc(O)c(C[NH+]2CCC3(CC3)CC2)c(O)c1 ZINC001144503998 972850279 /nfs/dbraw/zinc/85/02/79/972850279.db2.gz HTECQYUETNYQGG-UHFFFAOYSA-N 1 0 249.310 2.179 20 10 BECDRO C[N@H+](Cc1c(O)cc(O)cc1O)CC(C)(C)C ZINC001144509420 972858099 /nfs/dbraw/zinc/85/80/99/972858099.db2.gz WDELCTHLXFEPDW-UHFFFAOYSA-N 1 0 239.315 2.281 20 10 BECDRO Nc1ccc(C[N@H+](CCO)C2CCCC2)cc1 ZINC000044414777 973748388 /nfs/dbraw/zinc/74/83/88/973748388.db2.gz AUFFLWUHDAEIQX-UHFFFAOYSA-N 1 0 234.343 2.006 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1CC[NH2+]C1 ZINC001329596210 973845846 /nfs/dbraw/zinc/84/58/46/973845846.db2.gz KZXXPTOYQPHQEP-TUAOUCFPSA-N 1 0 246.354 2.200 20 10 BECDRO C[NH2+]C[C@H](C)N[C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001330117857 974113143 /nfs/dbraw/zinc/11/31/43/974113143.db2.gz AFQDSVCRWJSASV-SDDRHHMPSA-N 1 0 248.370 2.446 20 10 BECDRO Cc1c[nH+]ccc1N(CCO)c1ccc(N)cc1 ZINC001174537924 976823805 /nfs/dbraw/zinc/82/38/05/976823805.db2.gz VTWYFARQYFDHAC-UHFFFAOYSA-N 1 0 243.310 2.103 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c1O ZINC001231591258 977637098 /nfs/dbraw/zinc/63/70/98/977637098.db2.gz XGSHXRDQVNZRHS-IUODEOHRSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c1O ZINC001231592281 977640767 /nfs/dbraw/zinc/64/07/67/977640767.db2.gz GLQKADMQSPDHLY-WCQYABFASA-N 1 0 235.327 2.046 20 10 BECDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC001231594365 977641094 /nfs/dbraw/zinc/64/10/94/977641094.db2.gz CDCSTWRQHBLEAU-ZDUSSCGKSA-N 1 0 233.311 2.254 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1O ZINC001231590896 977642110 /nfs/dbraw/zinc/64/21/10/977642110.db2.gz KRILEZRKMDMBAL-PWSUYJOCSA-N 1 0 223.291 2.490 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCC23COC3)c1O ZINC001231592543 977642850 /nfs/dbraw/zinc/64/28/50/977642850.db2.gz OGFPZDDKWXBIJD-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO CO[C@@H](C)C1C[NH+](Cc2cccc(C)c2O)C1 ZINC001231595151 977643055 /nfs/dbraw/zinc/64/30/55/977643055.db2.gz UAGMOCSSESCJSF-NSHDSACASA-N 1 0 235.327 2.167 20 10 BECDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cccc(C)c1O)C2 ZINC001231592099 977644244 /nfs/dbraw/zinc/64/42/44/977644244.db2.gz BIMPGMXAERQKAR-ZFWWWQNUSA-N 1 0 247.338 2.454 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCCC23COC3)c1O ZINC001231593241 977644587 /nfs/dbraw/zinc/64/45/87/977644587.db2.gz RZQHKWBMIGYOMM-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO CC[N@H+](Cc1cc(OC)c(O)cc1O)C(C)C ZINC001231635010 977654129 /nfs/dbraw/zinc/65/41/29/977654129.db2.gz UDDQCNYUJBQVNW-UHFFFAOYSA-N 1 0 239.315 2.337 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC001231841940 977754615 /nfs/dbraw/zinc/75/46/15/977754615.db2.gz JWSPVUBEJOFHHS-CYBMUJFWSA-N 1 0 249.354 2.213 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC001231842124 977759624 /nfs/dbraw/zinc/75/96/24/977759624.db2.gz JZOIVLCZIIGCGU-ABAIWWIYSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(C)c(C[N@H+](C)CC2COC2)c(O)c1 ZINC001231845553 977763587 /nfs/dbraw/zinc/76/35/87/977763587.db2.gz AENUJYVJVJQIMU-UHFFFAOYSA-N 1 0 235.327 2.087 20 10 BECDRO 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CCc1ccc(C[N@@H+]2CCCC23COC3)c(O)c1 ZINC001236794428 979737310 /nfs/dbraw/zinc/73/73/10/979737310.db2.gz MQAIAMBPDAELLK-UHFFFAOYSA-N 1 0 247.338 2.319 20 10 BECDRO C[C@H]([NH3+])CN(C)Cc1ccc2ccccc2c1O ZINC001236903444 979786520 /nfs/dbraw/zinc/78/65/20/979786520.db2.gz CREGLQCUNLCNJP-NSHDSACASA-N 1 0 244.338 2.324 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c1 ZINC001237044996 979807384 /nfs/dbraw/zinc/80/73/84/979807384.db2.gz GXMCUPCPDNUSQR-OAHLLOKOSA-N 1 0 249.354 2.472 20 10 BECDRO CC(C)c1ccc(CN2CC([NH+](C)C)C2)c(O)c1 ZINC001237045990 979809189 /nfs/dbraw/zinc/80/91/89/979809189.db2.gz ONYSXLCCICNBCZ-UHFFFAOYSA-N 1 0 248.370 2.261 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC001237485056 979908891 /nfs/dbraw/zinc/90/88/91/979908891.db2.gz LREVEIUMMDLCDI-QWHCGFSZSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001237484703 979912743 /nfs/dbraw/zinc/91/27/43/979912743.db2.gz HWNHQMAHKCUGOZ-TXEJJXNPSA-N 1 0 245.322 2.397 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](C)[C@@H](O)CC1 ZINC001237486172 979913163 /nfs/dbraw/zinc/91/31/63/979913163.db2.gz WMJRBALEKAZODZ-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO CC[N@H+](Cc1c(C)cccc1O)CC(C)(C)O ZINC001237492033 979917415 /nfs/dbraw/zinc/91/74/15/979917415.db2.gz NTSJKHJLFPOXAW-UHFFFAOYSA-N 1 0 237.343 2.293 20 10 BECDRO CC[C@@H]1COCC[N@@H+]1Cc1c(C)cccc1O ZINC001237487875 979917747 /nfs/dbraw/zinc/91/77/47/979917747.db2.gz NZDSFCPPPFDXQW-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001345159923 980569459 /nfs/dbraw/zinc/56/94/59/980569459.db2.gz PBPDQBCYAPCROI-HNNXBMFYSA-N 1 0 248.370 2.396 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@]23CCOC3)c1O ZINC001346540810 980860366 /nfs/dbraw/zinc/86/03/66/980860366.db2.gz QJBWGOHALAPVOG-OAHLLOKOSA-N 1 0 247.338 2.319 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]23CCOC3)cc1C ZINC001348630975 981410005 /nfs/dbraw/zinc/41/00/05/981410005.db2.gz BTOWJZGEMQQCBD-HNNXBMFYSA-N 1 0 247.338 2.374 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CC[C@]23CCOC3)cc1C ZINC001348631011 981410242 /nfs/dbraw/zinc/41/02/42/981410242.db2.gz BTOWJZGEMQQCBD-OAHLLOKOSA-N 1 0 247.338 2.374 20 10 BECDRO Oc1ccc(C[N@@H+]2CCCC23CC3)cc1O ZINC001203873265 982544001 /nfs/dbraw/zinc/54/40/01/982544001.db2.gz AHXMGLZPDNJCDS-UHFFFAOYSA-N 1 0 219.284 2.226 20 10 BECDRO CC(C)Cn1ccc(C2=CCC[N@H+](C)C2)cc1=O ZINC001241572307 982826296 /nfs/dbraw/zinc/82/62/96/982826296.db2.gz VTDRNGWCHUDBAI-UHFFFAOYSA-N 1 0 246.354 2.223 20 10 BECDRO C[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203931062 982906693 /nfs/dbraw/zinc/90/66/93/982906693.db2.gz MOKXFCMKPACVOL-LLVKDONJSA-N 1 0 204.317 2.347 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCCCO)cc1Cl ZINC000825720126 983916800 /nfs/dbraw/zinc/91/68/00/983916800.db2.gz APIVRNYJXVLBEP-UHFFFAOYSA-N 1 0 243.734 2.216 20 10 BECDRO CCC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001257307569 984879183 /nfs/dbraw/zinc/87/91/83/984879183.db2.gz QWIKNQROJXWLCQ-SNVBAGLBSA-N 1 0 223.316 2.419 20 10 BECDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2O)[C@@H](C)O1 ZINC000686515631 985125019 /nfs/dbraw/zinc/12/50/19/985125019.db2.gz UFHCTCKLYODDPQ-WZRBSPASSA-N 1 0 235.327 2.295 20 10 BECDRO CCc1cccc(C[N@H+](C)CCCOC)c1O ZINC000692107850 985406151 /nfs/dbraw/zinc/40/61/51/985406151.db2.gz DRWFKRQGFKVEBD-UHFFFAOYSA-N 1 0 237.343 2.423 20 10 BECDRO Oc1cc2c(cc1C[NH+]1CCSCC1)CCC2 ZINC000077443448 985462391 /nfs/dbraw/zinc/46/23/91/985462391.db2.gz PDENTOZWNLLLGL-UHFFFAOYSA-N 1 0 249.379 2.430 20 10 BECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CO1 ZINC000688536839 985671469 /nfs/dbraw/zinc/67/14/69/985671469.db2.gz PWOUEUQATSGOFY-HIFRSBDPSA-N 1 0 248.370 2.410 20 10 BECDRO C[C@@H](O)C(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001461793273 986164295 /nfs/dbraw/zinc/16/42/95/986164295.db2.gz FGNLAPDLVBTISZ-LLVKDONJSA-N 1 0 249.354 2.118 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H]2C)c1 ZINC001462252300 986322193 /nfs/dbraw/zinc/32/21/93/986322193.db2.gz USBGXZHVVUZYAI-FZMZJTMJSA-N 1 0 249.354 2.471 20 10 BECDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCCN(C)C1 ZINC001255492410 986988159 /nfs/dbraw/zinc/98/81/59/986988159.db2.gz DDNDQOSEXZBBGK-AWEZNQCLSA-N 1 0 248.370 2.308 20 10 BECDRO c1cc(C[NH2+]CCOC2CCC2)cc2c1OCC2 ZINC000690691915 987281409 /nfs/dbraw/zinc/28/14/09/987281409.db2.gz YAPIYGDDSVVZNC-UHFFFAOYSA-N 1 0 247.338 2.280 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+]C/C=C/CO)c1 ZINC001474619438 987779579 /nfs/dbraw/zinc/77/95/79/987779579.db2.gz BDVOGFQMZGSLHE-ONEGZZNKSA-N 1 0 235.327 2.154 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)c(O)c1 ZINC001474760262 987818423 /nfs/dbraw/zinc/81/84/23/987818423.db2.gz KOKAYJYRIAHUHI-OUCADQQQSA-N 1 0 233.311 2.110 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc(N)cc1)[C@H]1CCCO1 ZINC001120269595 989620674 /nfs/dbraw/zinc/62/06/74/989620674.db2.gz VAKWLZITFYGZHD-ZIAGYGMSSA-N 1 0 234.343 2.316 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc(N)cc1)[C@H]1CCCO1 ZINC001120269594 989622157 /nfs/dbraw/zinc/62/21/57/989622157.db2.gz VAKWLZITFYGZHD-UONOGXRCSA-N 1 0 234.343 2.316 20 10 BECDRO Oc1ccc(CNc2cc[nH+]cc2)cc1O ZINC000083348525 991120584 /nfs/dbraw/zinc/12/05/84/991120584.db2.gz NRECAKVYWZONSF-UHFFFAOYSA-N 1 0 216.240 2.105 20 10 BECDRO C[C@@H](CC1CC1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258454155 991407009 /nfs/dbraw/zinc/40/70/09/991407009.db2.gz FNTOTSZHNJXYHE-VIFPVBQESA-N 1 0 249.310 2.059 20 10 BECDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(F)ccc1O ZINC001140058171 991509823 /nfs/dbraw/zinc/50/98/23/991509823.db2.gz TVKWNWJISREIJB-LDYMZIIASA-N 1 0 227.254 2.464 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC001560666553 991541650 /nfs/dbraw/zinc/54/16/50/991541650.db2.gz HCVWCPVGHIVUHF-GFCCVEGCSA-N 1 0 249.354 2.330 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1O ZINC001140178992 991548371 /nfs/dbraw/zinc/54/83/71/991548371.db2.gz AYSSXLAQZKYNIZ-ZIAGYGMSSA-N 1 0 247.338 2.372 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2C[C@H](O)CC[C@H]2C)c1O ZINC001140178603 991548962 /nfs/dbraw/zinc/54/89/62/991548962.db2.gz QIOOGXQLACVVSJ-CHWSQXEVSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2CO)c1O ZINC001140179201 991549461 /nfs/dbraw/zinc/54/94/61/991549461.db2.gz BSVMJTDEPLVBDB-CYBMUJFWSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](C)(CO)C2)c1O ZINC001140178833 991549484 /nfs/dbraw/zinc/54/94/84/991549484.db2.gz ZHJZJGFSJQGMET-OAHLLOKOSA-N 1 0 249.354 2.213 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c1O ZINC001140178396 991550743 /nfs/dbraw/zinc/55/07/43/991550743.db2.gz KLDVOGCAFRAQSJ-GWCFXTLKSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](CO)C2)c1O ZINC001140179936 991553221 /nfs/dbraw/zinc/55/32/21/991553221.db2.gz KFMOPXBWIGRQPN-ZDUSSCGKSA-N 1 0 249.354 2.213 20 10 BECDRO Cc1ccc(C)c(C[NH+]2CCC(C)(O)CC2)c1O ZINC001140178743 991553284 /nfs/dbraw/zinc/55/32/84/991553284.db2.gz WIGDCPMTWJFRMX-UHFFFAOYSA-N 1 0 249.354 2.356 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)c1O ZINC001560811563 991610164 /nfs/dbraw/zinc/61/01/64/991610164.db2.gz PENYBKZLBABDDT-SMDDNHRTSA-N 1 0 249.354 2.157 20 10 BECDRO C[NH2+]CCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001261423620 992296619 /nfs/dbraw/zinc/29/66/19/992296619.db2.gz ANCZGBTVCGCZLO-GHMZBOCLSA-N 1 0 234.343 2.058 20 10 BECDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001262487711 992892368 /nfs/dbraw/zinc/89/23/68/992892368.db2.gz BUERBMQKPWXHSQ-LALPHHSUSA-N 1 0 248.370 2.250 20 10 BECDRO Nc1ccc(C[NH2+]CC2(CCO)CCCC2)cc1 ZINC001262487694 992894190 /nfs/dbraw/zinc/89/41/90/992894190.db2.gz AVRGXICMSBZTLL-UHFFFAOYSA-N 1 0 248.370 2.301 20 10 BECDRO CC(C)c1ccc(O)c(CN2CC[NH2+]C[C@H]2C)c1 ZINC001575858782 993115760 /nfs/dbraw/zinc/11/57/60/993115760.db2.gz OSAPTVMYXARHDW-GFCCVEGCSA-N 1 0 248.370 2.309 20 10 BECDRO CCC(O)(CC)CC[NH2+]Cc1ccc(N)cc1 ZINC001577179602 993534334 /nfs/dbraw/zinc/53/43/34/993534334.db2.gz ULQRDKOSMNSSAO-UHFFFAOYSA-N 1 0 236.359 2.300 20 10 BECDRO Nc1ccc(C[N@@H+]2CCOCC23CCCC3)cc1 ZINC000388653756 993734182 /nfs/dbraw/zinc/73/41/82/993734182.db2.gz SPTRPQSDUCDOOE-UHFFFAOYSA-N 1 0 246.354 2.414 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@H]1O ZINC001337780953 995222968 /nfs/dbraw/zinc/22/29/68/995222968.db2.gz OBXQXCVOFZVDBY-WISYIIOYSA-N 1 0 247.338 2.362 20 10 BECDRO CCC[C@H](C)[NH2+]Cc1ccc(O)cc1O ZINC000019902666 1170140431 /nfs/dbraw/zinc/14/04/31/1170140431.db2.gz KDVBDGXTKMDJAT-VIFPVBQESA-N 1 0 209.289 2.376 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)[C@H](C)O ZINC001615686620 1170529456 /nfs/dbraw/zinc/52/94/56/1170529456.db2.gz RSROWVGUFAHEBF-NEPJUHHUSA-N 1 0 237.343 2.374 20 10 BECDRO CCC(CC)(CO)[NH2+]Cc1cccc(C)c1O ZINC000124818875 168329698 /nfs/dbraw/zinc/32/96/98/168329698.db2.gz JPCCFSSEXMSWID-UHFFFAOYSA-N 1 0 237.343 2.341 20 10 BECDRO CCC(CC)(CO)[NH2+]Cc1cc(C)ccc1O ZINC000071409228 168329981 /nfs/dbraw/zinc/32/99/81/168329981.db2.gz RCYVIBIHFITAJF-UHFFFAOYSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1cc(C[NH2+]Cc2cccc(C)c2O)n(C)n1 ZINC000284271538 178027397 /nfs/dbraw/zinc/02/73/97/178027397.db2.gz GYKGNWTUOHSZOB-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCOC2)cc1C ZINC000106858165 178195134 /nfs/dbraw/zinc/19/51/34/178195134.db2.gz JQRMNLYTQZHKAB-ZDUSSCGKSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1C ZINC000191185955 178195469 /nfs/dbraw/zinc/19/54/69/178195469.db2.gz RKFRQHNDBVGDOP-HZMBPMFUSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCC[C@@H](C)O)cc1C ZINC000278589184 178196780 /nfs/dbraw/zinc/19/67/80/178196780.db2.gz GRRQMKKYBSGRSW-GFCCVEGCSA-N 1 0 237.343 2.260 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCC2(O)CCC2)cc1C ZINC000283873237 178196939 /nfs/dbraw/zinc/19/69/39/178196939.db2.gz GUNPESHZDRTBOB-UHFFFAOYSA-N 1 0 249.354 2.404 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCC[C@H](C)O)cc1C ZINC000278589185 178197059 /nfs/dbraw/zinc/19/70/59/178197059.db2.gz GRRQMKKYBSGRSW-LBPRGKRZSA-N 1 0 237.343 2.260 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCC[C@H]2O)cc1C ZINC000185169912 178197416 /nfs/dbraw/zinc/19/74/16/178197416.db2.gz QKPSNFSBDBCQBZ-ZIAGYGMSSA-N 1 0 249.354 2.402 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCOC[C@H](C)C2)c1 ZINC000370053958 398249485 /nfs/dbraw/zinc/24/94/85/398249485.db2.gz SJSXARGRTSVTGK-GFCCVEGCSA-N 1 0 235.327 2.169 20 10 BECDRO Cn1cccc1C[N@H+](C)Cc1ccccc1O ZINC000091974676 398304192 /nfs/dbraw/zinc/30/41/92/398304192.db2.gz FZIHONZAOJSJJU-UHFFFAOYSA-N 1 0 230.311 2.363 20 10 BECDRO CC[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1O ZINC000037738069 343353643 /nfs/dbraw/zinc/35/36/43/343353643.db2.gz OZUSVYXHPXICGZ-YPMHNXCESA-N 1 0 235.327 2.469 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1C ZINC000052000451 187271620 /nfs/dbraw/zinc/27/16/20/187271620.db2.gz MBYFNMWUBWBAGR-ZIAGYGMSSA-N 1 0 249.354 2.397 20 10 BECDRO CC[N@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000179684002 346992560 /nfs/dbraw/zinc/99/25/60/346992560.db2.gz GBSNTCOJHSMHSB-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976158 343958111 /nfs/dbraw/zinc/95/81/11/343958111.db2.gz ZITDVRLBVWVRQX-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO CC[C@@H]([NH2+][C@H](C)CCO)c1ccccc1O ZINC000120627934 344896434 /nfs/dbraw/zinc/89/64/34/344896434.db2.gz PVTMMBVOOIWYNH-ZYHUDNBSSA-N 1 0 223.316 2.204 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)C(C)C)c1 ZINC000092392361 178805346 /nfs/dbraw/zinc/80/53/46/178805346.db2.gz JCAFVQRJLRJBCH-WCQYABFASA-N 1 0 237.343 2.368 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cn[nH]c2)c1 ZINC000289578636 178804293 /nfs/dbraw/zinc/80/42/93/178804293.db2.gz BKGWWEWAHDADHL-NSHDSACASA-N 1 0 245.326 2.317 20 10 BECDRO CC1(C)CC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000290187429 187362266 /nfs/dbraw/zinc/36/22/66/187362266.db2.gz SOIYAPOYAJDYGB-CYBMUJFWSA-N 1 0 249.310 2.399 20 10 BECDRO COc1ccc(C[NH2+]C[C@H](C)OC)cc1C ZINC000223905371 187319984 /nfs/dbraw/zinc/31/99/84/187319984.db2.gz GXHPVKYTNZSSLE-NSHDSACASA-N 1 0 223.316 2.128 20 10 BECDRO Cc1cccc(C[N@@H+](C)CC(C)(C)CO)c1O ZINC000294664694 179063095 /nfs/dbraw/zinc/06/30/95/179063095.db2.gz ALLAWHLNVJNXHC-UHFFFAOYSA-N 1 0 237.343 2.151 20 10 BECDRO CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccccc1O ZINC000156412818 346368667 /nfs/dbraw/zinc/36/86/67/346368667.db2.gz GYXCWGGBYWJDHZ-OUCADQQQSA-N 1 0 247.338 2.370 20 10 BECDRO Cc1cccc(C[N@H+]2CCN(C)CC2(C)C)c1O ZINC000271891880 179076194 /nfs/dbraw/zinc/07/61/94/179076194.db2.gz XFYLNFFEPCCUMB-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000160466113 346453856 /nfs/dbraw/zinc/45/38/56/346453856.db2.gz VZFCQOOICNMUKG-GFCCVEGCSA-N 1 0 235.327 2.439 20 10 BECDRO Cc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1O ZINC000294026756 179094309 /nfs/dbraw/zinc/09/43/09/179094309.db2.gz NWMQCKDFPXLBOM-SWLSCSKDSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+][C@H](C)CC(C)(C)O)c1O ZINC000295015397 179099671 /nfs/dbraw/zinc/09/96/71/179099671.db2.gz JWRWADUIFODDIK-LLVKDONJSA-N 1 0 237.343 2.340 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1O ZINC000224918530 179100962 /nfs/dbraw/zinc/10/09/62/179100962.db2.gz CRIHQLAQYLBQMF-AAEUAGOBSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000124815246 179101159 /nfs/dbraw/zinc/10/11/59/179101159.db2.gz QHQJOAWDEDELMV-STQMWFEESA-N 1 0 235.327 2.094 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCO[C@H](C)C2)c1O ZINC000224918609 179101782 /nfs/dbraw/zinc/10/17/82/179101782.db2.gz CRIHQLAQYLBQMF-YPMHNXCESA-N 1 0 235.327 2.358 20 10 BECDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1O ZINC000020352507 180383621 /nfs/dbraw/zinc/38/36/21/180383621.db2.gz HMQPPWCTGDQXPU-JTQLQIEISA-N 1 0 245.326 2.285 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1O ZINC000119223281 358461799 /nfs/dbraw/zinc/46/17/99/358461799.db2.gz RXJIUQOPTAXGAI-OCCSQVGLSA-N 1 0 237.343 2.450 20 10 BECDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(N(C)C)cc1 ZINC000038087598 187600091 /nfs/dbraw/zinc/60/00/91/187600091.db2.gz BNTHOHRWAYGDTO-CHWSQXEVSA-N 1 0 249.402 2.353 20 10 BECDRO CCN1CC[N@H+](Cc2cc(C)ccc2O)[C@H](C)C1 ZINC000289211781 352176087 /nfs/dbraw/zinc/17/60/87/352176087.db2.gz CAJMUKKPDXAALX-CYBMUJFWSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)O)c(O)c1 ZINC000083461339 187624684 /nfs/dbraw/zinc/62/46/84/187624684.db2.gz DZIRWBJSNZSHOE-SNVBAGLBSA-N 1 0 223.316 2.122 20 10 BECDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccccc1O ZINC000293064968 352338421 /nfs/dbraw/zinc/33/84/21/352338421.db2.gz UZADPBQCXKVGDJ-HNNXBMFYSA-N 1 0 249.354 2.423 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCOCC(F)F)c1 ZINC000190898934 188003038 /nfs/dbraw/zinc/00/30/38/188003038.db2.gz DTJYOIURTFDOFD-UHFFFAOYSA-N 1 0 245.269 2.072 20 10 BECDRO CC(C)(CO)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000294672899 188269200 /nfs/dbraw/zinc/26/92/00/188269200.db2.gz AXOSPPSBKLYGJV-UHFFFAOYSA-N 1 0 249.354 2.120 20 10 BECDRO Cc1cc(Cl)cc(C[NH2+]CCCCO)c1O ZINC000194530691 188259122 /nfs/dbraw/zinc/25/91/22/188259122.db2.gz MNCCDYPEGZPEBS-UHFFFAOYSA-N 1 0 243.734 2.216 20 10 BECDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168777748 188337848 /nfs/dbraw/zinc/33/78/48/188337848.db2.gz NJBVQGHAKUFJKF-NOZJJQNGSA-N 1 0 241.306 2.199 20 10 BECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000185810881 188347383 /nfs/dbraw/zinc/34/73/83/188347383.db2.gz YETKJNUKBGKDPE-NNTXTVRGSA-N 1 0 249.354 2.426 20 10 BECDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)C(C)(C)O ZINC000292969185 359372657 /nfs/dbraw/zinc/37/26/57/359372657.db2.gz KCJAARDDBBPWSL-CYBMUJFWSA-N 1 0 237.343 2.340 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1 ZINC000292861310 200854214 /nfs/dbraw/zinc/85/42/14/200854214.db2.gz ASLJEGUKPJRDMV-DOMZBBRYSA-N 1 0 249.354 2.341 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000037738219 183273352 /nfs/dbraw/zinc/27/33/52/183273352.db2.gz MKBIRPKYBMIFKR-VIFPVBQESA-N 1 0 241.718 2.172 20 10 BECDRO Oc1cc2c(cc1C[NH2+]CC1CCCC1)OCO2 ZINC000042879695 183262084 /nfs/dbraw/zinc/26/20/84/183262084.db2.gz DTTMPPLAODLTHH-UHFFFAOYSA-N 1 0 249.310 2.401 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCCC[C@@H]1O)CC2 ZINC000296358479 183298968 /nfs/dbraw/zinc/29/89/68/183298968.db2.gz HYEGSPCEBXXGCB-XQQFMLRXSA-N 1 0 247.338 2.273 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000156079222 183301416 /nfs/dbraw/zinc/30/14/16/183301416.db2.gz FLKNTPGSRCKZEA-CQSZACIVSA-N 1 0 246.354 2.062 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000368623037 183302442 /nfs/dbraw/zinc/30/24/42/183302442.db2.gz HLZCUARDAGHKDJ-GFCCVEGCSA-N 1 0 243.310 2.452 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000162937184 183303216 /nfs/dbraw/zinc/30/32/16/183303216.db2.gz XUNPUUQECFZRCY-GFCCVEGCSA-N 1 0 219.284 2.175 20 10 BECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)COC ZINC000070376022 169182293 /nfs/dbraw/zinc/18/22/93/169182293.db2.gz GVDALCOBKLRAPQ-LBPRGKRZSA-N 1 0 236.359 2.397 20 10 BECDRO CCCOc1ccc(C[NH2+]C2CC2)c(O)c1 ZINC000050273164 169318570 /nfs/dbraw/zinc/31/85/70/169318570.db2.gz UAWHGRNITCVGOY-UHFFFAOYSA-N 1 0 221.300 2.433 20 10 BECDRO CCOCC[NH2+]Cc1cc(Cl)ccc1O ZINC000036229095 383891195 /nfs/dbraw/zinc/89/11/95/383891195.db2.gz NJBPYURLOZQUOH-UHFFFAOYSA-N 1 0 229.707 2.172 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000037362949 383974393 /nfs/dbraw/zinc/97/43/93/383974393.db2.gz RHIRFUCKRBQEQM-RISCZKNCSA-N 1 0 247.338 2.279 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C)c(O)c1 ZINC000038088168 384067619 /nfs/dbraw/zinc/06/76/19/384067619.db2.gz VGCJTBIUIDVLQF-NEPJUHHUSA-N 1 0 236.359 2.301 20 10 BECDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccccc1O ZINC000070625204 384125290 /nfs/dbraw/zinc/12/52/90/384125290.db2.gz IZUPUACWVXKAJS-QWRGUYRKSA-N 1 0 223.316 2.468 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccccc1O ZINC000071011598 384147923 /nfs/dbraw/zinc/14/79/23/384147923.db2.gz WPKVOXZYNHAIAX-WDEREUQCSA-N 1 0 221.300 2.222 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)C(C)C)c(O)c1 ZINC000092393665 384176607 /nfs/dbraw/zinc/17/66/07/384176607.db2.gz XBYBEHYHDZTCFY-DGCLKSJQSA-N 1 0 237.343 2.368 20 10 BECDRO CC[C@H]([NH2+]Cc1nccn1C)c1ccccc1O ZINC000071272988 384159800 /nfs/dbraw/zinc/15/98/00/384159800.db2.gz XYHHFVXAERYGLJ-LBPRGKRZSA-N 1 0 245.326 2.367 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]Cc2nccn2C)c(O)c1 ZINC000071273087 384159964 /nfs/dbraw/zinc/15/99/64/384159964.db2.gz NREQDJHUNKTKSO-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CCC([C@H](C)O)CC2)c1 ZINC000092970658 384203213 /nfs/dbraw/zinc/20/32/13/384203213.db2.gz QDYYOFHGKRHBDI-LBPRGKRZSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(F)ccc1O ZINC000094616772 384306443 /nfs/dbraw/zinc/30/64/43/384306443.db2.gz HKWNJFYQTKCCNE-MWLCHTKSSA-N 1 0 239.290 2.361 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(F)ccc1O ZINC000094618210 384307623 /nfs/dbraw/zinc/30/76/23/384307623.db2.gz JCDJZNORIKRTPK-KOLCDFICSA-N 1 0 239.290 2.361 20 10 BECDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(N(C)C)cc1 ZINC000094721578 384309244 /nfs/dbraw/zinc/30/92/44/384309244.db2.gz SFVVVAGRBJWIET-GFCCVEGCSA-N 1 0 248.370 2.440 20 10 BECDRO C[N@H+](Cc1ccccc1O)CC1(O)CCCC1 ZINC000121141921 384400293 /nfs/dbraw/zinc/40/02/93/384400293.db2.gz HBCHKTWJUIPUMF-UHFFFAOYSA-N 1 0 235.327 2.129 20 10 BECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCOC1 ZINC000135202136 384422139 /nfs/dbraw/zinc/42/21/39/384422139.db2.gz TWHFMJBJCWTMME-FZMZJTMJSA-N 1 0 247.338 2.136 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCCO1 ZINC000096477920 384461804 /nfs/dbraw/zinc/46/18/04/384461804.db2.gz IFDPVIVHQXUIAG-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1O ZINC000019963524 384563016 /nfs/dbraw/zinc/56/30/16/384563016.db2.gz YZURDEZFFUJSAQ-MNOVXSKESA-N 1 0 221.300 2.222 20 10 BECDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccccc1O ZINC000020125766 384581668 /nfs/dbraw/zinc/58/16/68/384581668.db2.gz KACUXTOKFYCVES-NSHDSACASA-N 1 0 236.359 2.383 20 10 BECDRO CCC(O)(CC)C[NH2+]Cc1cccc(C)c1O ZINC000124748270 384672882 /nfs/dbraw/zinc/67/28/82/384672882.db2.gz PVLRZKHOYSJYMI-UHFFFAOYSA-N 1 0 237.343 2.341 20 10 BECDRO CCC(O)(CC)C[NH2+]Cc1ccccc1O ZINC000082367488 384675099 /nfs/dbraw/zinc/67/50/99/384675099.db2.gz PKLIKLKAFJVBLN-UHFFFAOYSA-N 1 0 223.316 2.033 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000051924471 384704977 /nfs/dbraw/zinc/70/49/77/384704977.db2.gz RDWGPIIOUXWSSU-UHFFFAOYSA-N 1 0 248.370 2.269 20 10 BECDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000083461964 384773876 /nfs/dbraw/zinc/77/38/76/384773876.db2.gz KQVVSISHPJHXBP-MFKMUULPSA-N 1 0 223.316 2.204 20 10 BECDRO CC[C@@H]([NH2+]CC[C@H](C)O)c1ccccc1O ZINC000082993796 384734546 /nfs/dbraw/zinc/73/45/46/384734546.db2.gz UIRHOQXSLNICJG-CMPLNLGQSA-N 1 0 223.316 2.204 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)O)c(O)c1 ZINC000082993387 384734862 /nfs/dbraw/zinc/73/48/62/384734862.db2.gz VQYXCZZHHVCBJF-QWRGUYRKSA-N 1 0 223.316 2.122 20 10 BECDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000185921354 384787063 /nfs/dbraw/zinc/78/70/63/384787063.db2.gz CIUABIITICNOTM-NWDGAFQWSA-N 1 0 236.359 2.438 20 10 BECDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000163979740 384886218 /nfs/dbraw/zinc/88/62/18/384886218.db2.gz CJZMVVDCONGZIY-MFKMUULPSA-N 1 0 223.316 2.060 20 10 BECDRO Cc1ccc(O)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000126929349 384844311 /nfs/dbraw/zinc/84/43/11/384844311.db2.gz VBLVBNZSPSJVAL-RYUDHWBXSA-N 1 0 235.327 2.310 20 10 BECDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000186490137 384847705 /nfs/dbraw/zinc/84/77/05/384847705.db2.gz MBTVDJNKLIJPRL-LXYZTQFVSA-N 1 0 235.327 2.370 20 10 BECDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccccc1O ZINC000085125559 384918556 /nfs/dbraw/zinc/91/85/56/384918556.db2.gz YKGXBPIJHKKXTB-MNOVXSKESA-N 1 0 223.316 2.061 20 10 BECDRO C[C@H]([NH2+]CC1(C)COC1)c1ccccc1O ZINC000087197192 385081277 /nfs/dbraw/zinc/08/12/77/385081277.db2.gz BENQWQMNUVDKLB-JTQLQIEISA-N 1 0 221.300 2.079 20 10 BECDRO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000086622775 385029914 /nfs/dbraw/zinc/02/99/14/385029914.db2.gz SPOSJPYAVFELKF-RYUDHWBXSA-N 1 0 236.359 2.032 20 10 BECDRO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000086622780 385030324 /nfs/dbraw/zinc/03/03/24/385030324.db2.gz SPOSJPYAVFELKF-VXGBXAGGSA-N 1 0 236.359 2.032 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1 ZINC000129396312 385147718 /nfs/dbraw/zinc/14/77/18/385147718.db2.gz BOXYSCUZHMRSSR-HNNXBMFYSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000368411168 385318282 /nfs/dbraw/zinc/31/82/82/385318282.db2.gz NBJNQJBPVNXGCL-HNNXBMFYSA-N 1 0 247.338 2.311 20 10 BECDRO CC[C@@]1(C)C[N@H+](Cc2ccccc2O)CCO1 ZINC000191148571 385286096 /nfs/dbraw/zinc/28/60/96/385286096.db2.gz JSBLLSAPXHMZCZ-AWEZNQCLSA-N 1 0 235.327 2.393 20 10 BECDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000191209636 385292323 /nfs/dbraw/zinc/29/23/23/385292323.db2.gz BZKFSIZQFBJAFO-QWRGUYRKSA-N 1 0 223.316 2.386 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000289722653 385301473 /nfs/dbraw/zinc/30/14/73/385301473.db2.gz GEQOKRDZSQMVOY-GHMZBOCLSA-N 1 0 223.316 2.214 20 10 BECDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1O ZINC000131487634 385338119 /nfs/dbraw/zinc/33/81/19/385338119.db2.gz PPIWFNPWUHFHMM-AAEUAGOBSA-N 1 0 235.327 2.392 20 10 BECDRO CC[C@H](C[NH2+]Cc1cc(C)ccc1O)OC ZINC000289746750 385358306 /nfs/dbraw/zinc/35/83/06/385358306.db2.gz HXFHJRRXYYYLBQ-GFCCVEGCSA-N 1 0 223.316 2.215 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(F)ccc1O ZINC000168712749 385383830 /nfs/dbraw/zinc/38/38/30/385383830.db2.gz HSMKYAOGIJQGGH-VHSXEESVSA-N 1 0 240.322 2.132 20 10 BECDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168777656 385387284 /nfs/dbraw/zinc/38/72/84/385387284.db2.gz NJBVQGHAKUFJKF-ZANVPECISA-N 1 0 241.306 2.199 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CCc2cn[nH]c2)c(O)c1 ZINC000289768107 385394849 /nfs/dbraw/zinc/39/48/49/385394849.db2.gz LZZFVLMPLFSDMH-NSHDSACASA-N 1 0 245.326 2.317 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000295138213 385459033 /nfs/dbraw/zinc/45/90/33/385459033.db2.gz ZDVFIHSUOVGFFD-LLVKDONJSA-N 1 0 237.343 2.340 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@@H](C)O1 ZINC000295264093 385513219 /nfs/dbraw/zinc/51/32/19/385513219.db2.gz VGCOJFYMPBDRBU-FOGDFJRCSA-N 1 0 221.300 2.048 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361050127 385526304 /nfs/dbraw/zinc/52/63/04/385526304.db2.gz FUQBVQJKWDANNP-TZMCWYRMSA-N 1 0 247.338 2.251 20 10 BECDRO C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183524896 385768064 /nfs/dbraw/zinc/76/80/64/385768064.db2.gz HZYIJRFAMFYFRF-TUAOUCFPSA-N 1 0 237.343 2.450 20 10 BECDRO COC[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000271182277 385799385 /nfs/dbraw/zinc/79/93/85/385799385.db2.gz MLTRCDKSKOKGBC-AWEZNQCLSA-N 1 0 248.370 2.221 20 10 BECDRO COC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000271182278 385799596 /nfs/dbraw/zinc/79/95/96/385799596.db2.gz MLTRCDKSKOKGBC-CQSZACIVSA-N 1 0 248.370 2.221 20 10 BECDRO CC[N@H+](CCCO)Cc1c(O)cccc1Cl ZINC000271206603 385802332 /nfs/dbraw/zinc/80/23/32/385802332.db2.gz SFGWIWKTFHIBPT-UHFFFAOYSA-N 1 0 243.734 2.250 20 10 BECDRO CCC1(O)CC[NH+](Cc2ccccc2O)CC1 ZINC000271249908 385811067 /nfs/dbraw/zinc/81/10/67/385811067.db2.gz DPFCKBGXGRXUFO-UHFFFAOYSA-N 1 0 235.327 2.129 20 10 BECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000189120119 385937836 /nfs/dbraw/zinc/93/78/36/385937836.db2.gz GEQOKRDZSQMVOY-WDEREUQCSA-N 1 0 223.316 2.214 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)O)c(O)c1C ZINC000273581501 386014653 /nfs/dbraw/zinc/01/46/53/386014653.db2.gz MSEGSLJJLZLUOP-JQWIXIFHSA-N 1 0 237.343 2.431 20 10 BECDRO CSC[C@H](C)[NH2+]Cc1ccccc1O ZINC000125000200 386205044 /nfs/dbraw/zinc/20/50/44/386205044.db2.gz LROAYTKYCCXSAD-VIFPVBQESA-N 1 0 211.330 2.233 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297155597 386228559 /nfs/dbraw/zinc/22/85/59/386228559.db2.gz COGUNQKTMZGUKH-SCVCMEIPSA-N 1 0 235.327 2.393 20 10 BECDRO COCC[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226589138 386340671 /nfs/dbraw/zinc/34/06/71/386340671.db2.gz FSNGYZGOLKJRGP-VIFPVBQESA-N 1 0 227.279 2.046 20 10 BECDRO CC[C@H](CCO)C[NH2+]Cc1cc(F)ccc1O ZINC000226616650 386345184 /nfs/dbraw/zinc/34/51/84/386345184.db2.gz XITLFYSAVKCSEN-SNVBAGLBSA-N 1 0 241.306 2.030 20 10 BECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCOC1 ZINC000226611997 386345691 /nfs/dbraw/zinc/34/56/91/386345691.db2.gz SXSBTLLWVZXFJY-NXEZZACHSA-N 1 0 239.290 2.046 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCOCC2CC2)c1 ZINC000226648245 386354077 /nfs/dbraw/zinc/35/40/77/386354077.db2.gz FQZJFBJXYWWCIO-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000124407246 386629640 /nfs/dbraw/zinc/62/96/40/386629640.db2.gz YQRXXPIYHDVILL-RISCZKNCSA-N 1 0 236.359 2.174 20 10 BECDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000228799486 386618528 /nfs/dbraw/zinc/61/85/28/386618528.db2.gz CHDNFGLDWVACGY-RYUDHWBXSA-N 1 0 237.343 2.451 20 10 BECDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000296038851 386708923 /nfs/dbraw/zinc/70/89/23/386708923.db2.gz UCPXQEHFDMSSFC-CFVMTHIKSA-N 1 0 248.370 2.317 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(O)CC2)c1 ZINC000279648147 386713325 /nfs/dbraw/zinc/71/33/25/386713325.db2.gz KDMFIIWVDKRGOM-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CO)ccc1N(C)C ZINC000292945386 386755225 /nfs/dbraw/zinc/75/52/25/386755225.db2.gz BSLLJKYTBRXKBQ-CQSZACIVSA-N 1 0 248.370 2.018 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000279950682 386759083 /nfs/dbraw/zinc/75/90/83/386759083.db2.gz ZNCOSKLWRROPME-CQSZACIVSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CO)c(O)c1 ZINC000284256328 387169343 /nfs/dbraw/zinc/16/93/43/387169343.db2.gz VZAXDJXLTBLKGA-GHMZBOCLSA-N 1 0 223.316 2.040 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1 ZINC000292861327 387216449 /nfs/dbraw/zinc/21/64/49/387216449.db2.gz ASLJEGUKPJRDMV-WFASDCNBSA-N 1 0 249.354 2.341 20 10 BECDRO C[C@H]([NH2+]CCN(C)C)c1cc(Cl)ccc1O ZINC000287005216 387353048 /nfs/dbraw/zinc/35/30/48/387353048.db2.gz KIZSHQVNEJJKKT-VIFPVBQESA-N 1 0 242.750 2.258 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000374333178 387443750 /nfs/dbraw/zinc/44/37/50/387443750.db2.gz RZXYJDSAFMWKKQ-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO CC[C@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1O ZINC000119223357 387553109 /nfs/dbraw/zinc/55/31/09/387553109.db2.gz RXJIUQOPTAXGAI-GXTWGEPZSA-N 1 0 237.343 2.450 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1O ZINC000119223480 387553814 /nfs/dbraw/zinc/55/38/14/387553814.db2.gz RXJIUQOPTAXGAI-TZMCWYRMSA-N 1 0 237.343 2.450 20 10 BECDRO CC[C@H](O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000127352986 387711186 /nfs/dbraw/zinc/71/11/86/387711186.db2.gz UCVCKDPZZMBSDD-ZDUSSCGKSA-N 1 0 237.343 2.254 20 10 BECDRO CCC[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000134554705 387808825 /nfs/dbraw/zinc/80/88/25/387808825.db2.gz YJSOOQHVQRQPDC-ZDUSSCGKSA-N 1 0 237.343 2.254 20 10 BECDRO CC[C@H](COC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000079737341 387956694 /nfs/dbraw/zinc/95/66/94/387956694.db2.gz SOEAVOWBQUOYCF-CYBMUJFWSA-N 1 0 235.327 2.136 20 10 BECDRO C[C@@H](CCCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297616467 388431044 /nfs/dbraw/zinc/43/10/44/388431044.db2.gz ISPPEVPKKFRBNE-JQWIXIFHSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@H](CCCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297616470 388431047 /nfs/dbraw/zinc/43/10/47/388431047.db2.gz ISPPEVPKKFRBNE-PWSUYJOCSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@@H]([NH2+]CCCO)c1cc(Cl)ccc1O ZINC000134903787 388480102 /nfs/dbraw/zinc/48/01/02/388480102.db2.gz AAAQWONRCDSFSF-MRVPVSSYSA-N 1 0 229.707 2.079 20 10 BECDRO C[C@H]([NH2+]CCCO)c1cc(Cl)ccc1O ZINC000134903766 388480180 /nfs/dbraw/zinc/48/01/80/388480180.db2.gz AAAQWONRCDSFSF-QMMMGPOBSA-N 1 0 229.707 2.079 20 10 BECDRO CO[C@H](C[NH2+]Cc1cccc(C)c1O)C(C)C ZINC000271829521 389024900 /nfs/dbraw/zinc/02/49/00/389024900.db2.gz OKQVTIWAGXLUQD-CYBMUJFWSA-N 1 0 237.343 2.461 20 10 BECDRO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1O ZINC000272852007 389036114 /nfs/dbraw/zinc/03/61/14/389036114.db2.gz LFZGVSFFMAODJK-GWCFXTLKSA-N 1 0 237.343 2.450 20 10 BECDRO CC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020085659 132329838 /nfs/dbraw/zinc/32/98/38/132329838.db2.gz INERAIQXTQKTND-ZDUSSCGKSA-N 1 0 248.370 2.411 20 10 BECDRO C[C@H](CO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185113773 397871841 /nfs/dbraw/zinc/87/18/41/397871841.db2.gz TUFWWGHRZGAJFF-MNOVXSKESA-N 1 0 249.354 2.302 20 10 BECDRO C[C@]1(C[NH2+]Cc2ccccc2O)CCCO1 ZINC000087233585 1173021322 /nfs/dbraw/zinc/02/13/22/1173021322.db2.gz UTMBCDNMQHXBET-CYBMUJFWSA-N 1 0 221.300 2.051 20 10 BECDRO CC(C)OCC[N@H+](C)Cc1ccccc1O ZINC000109772872 167227242 /nfs/dbraw/zinc/22/72/42/167227242.db2.gz KCUOSYHUKKSIHX-UHFFFAOYSA-N 1 0 223.316 2.249 20 10 BECDRO CC(C)OCC[NH2+]Cc1cc(F)ccc1O ZINC000230691411 167240951 /nfs/dbraw/zinc/24/09/51/167240951.db2.gz JVJUYSVWMJDALY-UHFFFAOYSA-N 1 0 227.279 2.046 20 10 BECDRO CCC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879026 168299698 /nfs/dbraw/zinc/29/96/98/168299698.db2.gz VWQJYNPWJSQCDF-UHFFFAOYSA-N 1 0 237.299 2.399 20 10 BECDRO CCOC(C)(C)C[NH2+]Cc1ccccc1O ZINC000166948657 170313554 /nfs/dbraw/zinc/31/35/54/170313554.db2.gz COLFRPNWOHNZBI-UHFFFAOYSA-N 1 0 223.316 2.297 20 10 BECDRO CCOCCC[NH2+]Cc1cc(C)ccc1O ZINC000070954893 170380323 /nfs/dbraw/zinc/38/03/23/170380323.db2.gz SFVBNTSYSHUCKR-UHFFFAOYSA-N 1 0 223.316 2.217 20 10 BECDRO CCOc1ccc(O)c(C[NH2+]C2CCC2)c1 ZINC000264365992 170555292 /nfs/dbraw/zinc/55/52/92/170555292.db2.gz BUWWABCMUGKJQP-UHFFFAOYSA-N 1 0 221.300 2.433 20 10 BECDRO CC[C@@H](CO)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000295209185 170834318 /nfs/dbraw/zinc/83/43/18/170834318.db2.gz ZUKDENBNNMUVEL-ZDUSSCGKSA-N 1 0 237.343 2.212 20 10 BECDRO CC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000119586262 171011013 /nfs/dbraw/zinc/01/10/13/171011013.db2.gz FPMZWAKPYHWDDK-SNVBAGLBSA-N 1 0 249.310 2.353 20 10 BECDRO CC[C@@H]1CC[N@@H+]1Cc1cc(OC)ccc1O ZINC000292897624 171025730 /nfs/dbraw/zinc/02/57/30/171025730.db2.gz ZOTKTVXSKYQIJV-LLVKDONJSA-N 1 0 221.300 2.385 20 10 BECDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000191958119 171213487 /nfs/dbraw/zinc/21/34/87/171213487.db2.gz XJFNUMNMVWSRDV-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO CCn1ccnc1C[NH2+][C@@H](C)c1ccccc1O ZINC000271646752 172223983 /nfs/dbraw/zinc/22/39/83/172223983.db2.gz IEYFUZBFKVKATJ-NSHDSACASA-N 1 0 245.326 2.459 20 10 BECDRO CN(C)c1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000019918449 172551487 /nfs/dbraw/zinc/55/14/87/172551487.db2.gz KHRIDOMMZSXDQV-UHFFFAOYSA-N 1 0 248.370 2.146 20 10 BECDRO CN(C)c1ccc(C[NH2+]CCC2(O)CCC2)cc1 ZINC000284068362 172552586 /nfs/dbraw/zinc/55/25/86/172552586.db2.gz QJFMPFZXXODSFC-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO COCCC1(C[NH2+]Cc2ccccc2O)CC1 ZINC000151197622 174156553 /nfs/dbraw/zinc/15/65/53/174156553.db2.gz ODTAWQLNZMMYSH-UHFFFAOYSA-N 1 0 235.327 2.299 20 10 BECDRO COCCCC[NH2+]Cc1cc(F)ccc1O ZINC000226584954 174200155 /nfs/dbraw/zinc/20/01/55/174200155.db2.gz UPJZZBHJGZJAMD-UHFFFAOYSA-N 1 0 227.279 2.048 20 10 BECDRO COCCC[N@H+](C)Cc1cccc(C)c1O ZINC000162817035 174218548 /nfs/dbraw/zinc/21/85/48/174218548.db2.gz PGRZQXAFLUSNDS-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO COCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000019881679 174338981 /nfs/dbraw/zinc/33/89/81/174338981.db2.gz HKEFEGHTOQIHHR-WDEREUQCSA-N 1 0 235.327 2.485 20 10 BECDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000185921371 174835825 /nfs/dbraw/zinc/83/58/25/174835825.db2.gz CIUABIITICNOTM-VXGBXAGGSA-N 1 0 236.359 2.438 20 10 BECDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000191209593 174836315 /nfs/dbraw/zinc/83/63/15/174836315.db2.gz BZKFSIZQFBJAFO-GHMZBOCLSA-N 1 0 223.316 2.386 20 10 BECDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)CO)cc1C ZINC000077424314 175110785 /nfs/dbraw/zinc/11/07/85/175110785.db2.gz MEBGOXGTTITDDU-VXGBXAGGSA-N 1 0 237.343 2.110 20 10 BECDRO COc1cccc(C[N@H+](C)C(C)C)c1O ZINC000132486655 175253937 /nfs/dbraw/zinc/25/39/37/175253937.db2.gz BGJUXOYHACNGAN-UHFFFAOYSA-N 1 0 209.289 2.241 20 10 BECDRO COc1cccc(C[NH2+]C[C@@H]2CCC=CO2)c1O ZINC000275861969 175264245 /nfs/dbraw/zinc/26/42/45/175264245.db2.gz UEFOWCTXALPHMW-LBPRGKRZSA-N 1 0 249.310 2.183 20 10 BECDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccccc1O ZINC000293011516 176135095 /nfs/dbraw/zinc/13/50/95/176135095.db2.gz OAKYCFCQFYEYPT-BXUZGUMPSA-N 1 0 235.327 2.033 20 10 BECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCS1 ZINC000180069789 176301092 /nfs/dbraw/zinc/30/10/92/176301092.db2.gz QKYJWCHIZDCMAW-SECBINFHSA-N 1 0 241.331 2.469 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H](C)CO1 ZINC000132611397 176307786 /nfs/dbraw/zinc/30/77/86/176307786.db2.gz YBIJZSUQEIAVTR-GHMZBOCLSA-N 1 0 221.300 2.001 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000226617570 176377240 /nfs/dbraw/zinc/37/72/40/176377240.db2.gz STTYLWNMTUXDOR-SKDRFNHKSA-N 1 0 239.290 2.188 20 10 BECDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000122813109 176637245 /nfs/dbraw/zinc/63/72/45/176637245.db2.gz YAZRJMTYSIBOTA-VXGBXAGGSA-N 1 0 236.359 2.174 20 10 BECDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000085981153 176966193 /nfs/dbraw/zinc/96/61/93/176966193.db2.gz WCNYBEDFVIMSSG-NWDGAFQWSA-N 1 0 236.359 2.174 20 10 BECDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccccc1O ZINC000293011522 177128372 /nfs/dbraw/zinc/12/83/72/177128372.db2.gz OAKYCFCQFYEYPT-SMDDNHRTSA-N 1 0 235.327 2.033 20 10 BECDRO C[C@H]1COCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000376582055 177287854 /nfs/dbraw/zinc/28/78/54/177287854.db2.gz RIKHKNSCLCMDQM-CYBMUJFWSA-N 1 0 248.370 2.221 20 10 BECDRO Cc1ccc(O)c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530176602 323205364 /nfs/dbraw/zinc/20/53/64/323205364.db2.gz CMUYWRLWBVLMQV-CQSZACIVSA-N 1 0 246.354 2.075 20 10 BECDRO CCN(C)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083552237 491126517 /nfs/dbraw/zinc/12/65/17/491126517.db2.gz HQPYLNFOWKVMOK-UHFFFAOYSA-N 1 0 242.750 2.087 20 10 BECDRO CC[NH+](CC)Cc1ccc(OC)c(OC)c1O ZINC000891436968 582684772 /nfs/dbraw/zinc/68/47/72/582684772.db2.gz SFEJUTXXTIJJQD-UHFFFAOYSA-N 1 0 239.315 2.251 20 10 BECDRO C[NH2+]C[C@@H](C)NCc1c(O)cc(C)cc1Cl ZINC000853248724 588728738 /nfs/dbraw/zinc/72/87/38/588728738.db2.gz JFOXDZZJDLWZFH-SECBINFHSA-N 1 0 242.750 2.052 20 10 BECDRO CC[C@@H](N[C@@H](C)C[NH2+]C)c1ccccc1O ZINC000854230873 588780802 /nfs/dbraw/zinc/78/08/02/588780802.db2.gz BAZUTJQVCOQEBQ-CMPLNLGQSA-N 1 0 222.332 2.041 20 10 BECDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccccc1O ZINC000846014855 582642592 /nfs/dbraw/zinc/64/25/92/582642592.db2.gz AMHXGOAQDQGPOE-DGCLKSJQSA-N 1 0 237.343 2.279 20 10 BECDRO C[N@H+](CC[C@H]1CCOC1)Cc1ccccc1O ZINC000783535033 582959153 /nfs/dbraw/zinc/95/91/53/582959153.db2.gz JWFSGRHAMBUMGU-LBPRGKRZSA-N 1 0 235.327 2.251 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c(O)c1 ZINC000877578860 583336523 /nfs/dbraw/zinc/33/65/23/583336523.db2.gz NZDRQTGJHUZCCL-YPMHNXCESA-N 1 0 235.327 2.358 20 10 BECDRO CC[C@@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000127394888 583408905 /nfs/dbraw/zinc/40/89/05/583408905.db2.gz QZJHQZHEHKNLQN-CQSZACIVSA-N 1 0 236.359 2.003 20 10 BECDRO C/C=C\C[C@H](CO)[NH2+]Cc1c(C)cccc1O ZINC000894481332 583470414 /nfs/dbraw/zinc/47/04/14/583470414.db2.gz WRLLSJMTPHVVPD-VSQXVHSFSA-N 1 0 235.327 2.117 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895292107 583637670 /nfs/dbraw/zinc/63/76/70/583637670.db2.gz FAHBWWJZPGFJRE-GFCCVEGCSA-N 1 0 236.359 2.130 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](CF)C1 ZINC000895572488 583691936 /nfs/dbraw/zinc/69/19/36/583691936.db2.gz FCPLLSBZDHHCPZ-JTQLQIEISA-N 1 0 239.290 2.192 20 10 BECDRO C/C=C/C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895629907 583698077 /nfs/dbraw/zinc/69/80/77/583698077.db2.gz CAWSPDALNLGIBQ-SNAWJCMRSA-N 1 0 237.299 2.075 20 10 BECDRO CCO[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000897061839 583875892 /nfs/dbraw/zinc/87/58/92/583875892.db2.gz NBGWDMZMNKHSBU-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000858322386 588945494 /nfs/dbraw/zinc/94/54/94/588945494.db2.gz VLCRYFBTZRTKNK-JOCQHMNTSA-N 1 0 235.327 2.276 20 10 BECDRO Cc1cc(O)c(CNC[C@H]2CCCC[NH2+]2)cc1C ZINC000841033189 584032064 /nfs/dbraw/zinc/03/20/64/584032064.db2.gz OUQKZTPTPRPOHS-CQSZACIVSA-N 1 0 248.370 2.241 20 10 BECDRO Nc1ccc(NC2CCC(C[NH3+])CC2)cc1 ZINC000841040098 584116258 /nfs/dbraw/zinc/11/62/58/584116258.db2.gz IHAJBGDNZYOXGI-UHFFFAOYSA-N 1 0 219.332 2.198 20 10 BECDRO COc1ccc(O)c(C[NH2+]C/C=C\Cl)c1 ZINC000898433560 584135396 /nfs/dbraw/zinc/13/53/96/584135396.db2.gz OANGIVJENXQMPY-DJWKRKHSSA-N 1 0 227.691 2.243 20 10 BECDRO COC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000019904572 584223629 /nfs/dbraw/zinc/22/36/29/584223629.db2.gz RCIMZZPCEAFRNX-NXEZZACHSA-N 1 0 209.289 2.078 20 10 BECDRO CC[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1O ZINC000902470389 584616198 /nfs/dbraw/zinc/61/61/98/584616198.db2.gz WFUHNYVHZXCHPE-SCUASFONSA-N 1 0 246.354 2.326 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C)c(O)c1C ZINC000903319422 584746409 /nfs/dbraw/zinc/74/64/09/584746409.db2.gz ZCGCARAENWWXJY-QWHCGFSZSA-N 1 0 248.370 2.364 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C)cc1O ZINC000903315913 584749682 /nfs/dbraw/zinc/74/96/82/584749682.db2.gz AFCAURFNBPZJND-GXTWGEPZSA-N 1 0 248.370 2.445 20 10 BECDRO OCCC1CC([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000903334287 584751370 /nfs/dbraw/zinc/75/13/70/584751370.db2.gz ZPOGMWLUBMWEFC-GDKBPFBDSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccccc1O ZINC000903438805 584762808 /nfs/dbraw/zinc/76/28/08/584762808.db2.gz XFVABJJJKDFEOU-ZLKJLUDKSA-N 1 0 247.338 2.468 20 10 BECDRO CN(C[C@@H]1CCCC[NH2+]C1)c1ccc(N)cc1 ZINC000903770393 584798739 /nfs/dbraw/zinc/79/87/39/584798739.db2.gz IGCSPURTKSQEOV-GFCCVEGCSA-N 1 0 233.359 2.095 20 10 BECDRO OCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000734842115 584968861 /nfs/dbraw/zinc/96/88/61/584968861.db2.gz DDDOOAZYFRJDOD-UHFFFAOYSA-N 1 0 243.306 2.141 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCCC2(O)CCC2)c1 ZINC000817414389 584985914 /nfs/dbraw/zinc/98/59/14/584985914.db2.gz JCRMEUJNVSDKAX-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000817973737 584993589 /nfs/dbraw/zinc/99/35/89/584993589.db2.gz VSSYGPHNQJSELG-CHWSQXEVSA-N 1 0 249.402 2.401 20 10 BECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000839147496 585092444 /nfs/dbraw/zinc/09/24/44/585092444.db2.gz KQWDEBJAGWPMNV-OKILXGFUSA-N 1 0 247.338 2.279 20 10 BECDRO Oc1ccccc1C[NH+]1CC2(C1)CCCOC2 ZINC000839139131 585094290 /nfs/dbraw/zinc/09/42/90/585094290.db2.gz UCTJGNHJNXUOKS-UHFFFAOYSA-N 1 0 233.311 2.005 20 10 BECDRO COc1cccc(O)c1C[NH2+]Cc1ccn(C)c1 ZINC000748099446 585187075 /nfs/dbraw/zinc/18/70/75/585187075.db2.gz WNPNSZIIUNXYDK-UHFFFAOYSA-N 1 0 246.310 2.029 20 10 BECDRO COCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756342425 585318029 /nfs/dbraw/zinc/31/80/29/585318029.db2.gz JPNRSTNJVBJBOY-SCZZXKLOSA-N 1 0 239.290 2.316 20 10 BECDRO C[C@H]1C[C@H]([NH2+]CCCO)c2c1c(F)ccc2O ZINC000756343770 585318033 /nfs/dbraw/zinc/31/80/33/585318033.db2.gz OAZRDTWGBBNGHZ-WPRPVWTQSA-N 1 0 239.290 2.052 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CC2)c(O)c1C ZINC000756638528 585321930 /nfs/dbraw/zinc/32/19/30/585321930.db2.gz SJPUSVGGUOTBFE-LBPRGKRZSA-N 1 0 249.354 2.432 20 10 BECDRO C[C@@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756780827 585322881 /nfs/dbraw/zinc/32/28/81/585322881.db2.gz VQRTZBFJSCXPPW-XKSSXDPKSA-N 1 0 239.290 2.050 20 10 BECDRO CC[NH+](CC)Cc1c(O)cccc1OC ZINC000768134903 585532454 /nfs/dbraw/zinc/53/24/54/585532454.db2.gz XLUOJIFOGVNTAK-UHFFFAOYSA-N 1 0 209.289 2.243 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CCC(CCO)CC2)c1 ZINC000768240824 585534512 /nfs/dbraw/zinc/53/45/12/585534512.db2.gz HCFKLJORUUTNGW-UHFFFAOYSA-N 1 0 249.354 2.295 20 10 BECDRO COc1cccc(C[N@H+](C)Cc2ccc[nH]2)c1O ZINC000769544527 585559194 /nfs/dbraw/zinc/55/91/94/585559194.db2.gz XTJFTURBCKUJGD-UHFFFAOYSA-N 1 0 246.310 2.361 20 10 BECDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1CCOC1 ZINC000770508698 585575178 /nfs/dbraw/zinc/57/51/78/585575178.db2.gz FHFHNSCVSQJSCA-GFCCVEGCSA-N 1 0 235.327 2.251 20 10 BECDRO COCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000775648004 585682440 /nfs/dbraw/zinc/68/24/40/585682440.db2.gz LVCPSICABDOMLX-UHFFFAOYSA-N 1 0 243.734 2.432 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000775985172 585688817 /nfs/dbraw/zinc/68/88/17/585688817.db2.gz KJLNUJKFEFWKSP-STQMWFEESA-N 1 0 248.370 2.225 20 10 BECDRO CCN1C[C@H](C)[N@H+](Cc2ccccc2O)C[C@@H]1C ZINC000779017783 585743713 /nfs/dbraw/zinc/74/37/13/585743713.db2.gz BPIOVKMFFPRZPP-STQMWFEESA-N 1 0 248.370 2.307 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)[C@@H](C)O1 ZINC000783738476 585841530 /nfs/dbraw/zinc/84/15/30/585841530.db2.gz WPPUDUOEXWEWPO-GRYCIOLGSA-N 1 0 235.327 2.390 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000785770606 585880357 /nfs/dbraw/zinc/88/03/57/585880357.db2.gz ZLCRROIRIULFGN-GXTWGEPZSA-N 1 0 216.328 2.347 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@]2(C)CO)c1O ZINC000789557761 585944206 /nfs/dbraw/zinc/94/42/06/585944206.db2.gz LTLFANYIDVPZAF-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO COc1cccc(C[NH+]2CC(C(C)C)C2)c1O ZINC000793189392 586013669 /nfs/dbraw/zinc/01/36/69/586013669.db2.gz NNCUHXSUWUGFAH-UHFFFAOYSA-N 1 0 235.327 2.489 20 10 BECDRO Oc1ccccc1C[NH2+]Cc1cccnc1F ZINC000793284739 586016025 /nfs/dbraw/zinc/01/60/25/586016025.db2.gz QJHYDVATMLTIEA-UHFFFAOYSA-N 1 0 232.258 2.216 20 10 BECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](F)C1)CCC2 ZINC000840105692 586447470 /nfs/dbraw/zinc/44/74/70/586447470.db2.gz PYYCBSOCQVDOEF-CYBMUJFWSA-N 1 0 235.302 2.425 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)C2(C)C)cc1C ZINC000812779310 586583858 /nfs/dbraw/zinc/58/38/58/586583858.db2.gz LUZNQEQNZDFJRE-AWEZNQCLSA-N 1 0 249.354 2.354 20 10 BECDRO COCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816528516 586738976 /nfs/dbraw/zinc/73/89/76/586738976.db2.gz GQGOVJWZCJECHK-UHFFFAOYSA-N 1 0 231.295 2.281 20 10 BECDRO OCCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816593177 586743180 /nfs/dbraw/zinc/74/31/80/586743180.db2.gz HNTGXRIOFQWPTL-UHFFFAOYSA-N 1 0 245.322 2.408 20 10 BECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC000816647257 586748573 /nfs/dbraw/zinc/74/85/73/586748573.db2.gz QEBWYIIJBDHMDV-BDAKNGLRSA-N 1 0 209.264 2.372 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000816649133 586751339 /nfs/dbraw/zinc/75/13/39/586751339.db2.gz URQBEHJEVSLERC-VHSXEESVSA-N 1 0 221.300 2.241 20 10 BECDRO C[C@H](NCC[NH3+])c1ccc(N2CCCCC2)cc1 ZINC000817934653 586843358 /nfs/dbraw/zinc/84/33/58/586843358.db2.gz MGYLZWCOCFRQEN-ZDUSSCGKSA-N 1 0 247.386 2.286 20 10 BECDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817941261 586845117 /nfs/dbraw/zinc/84/51/17/586845117.db2.gz PBIUIBUHVRLDRO-JSGCOSHPSA-N 1 0 247.386 2.155 20 10 BECDRO Cc1cc(C)c([C@@H](C)N[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000817941533 586845678 /nfs/dbraw/zinc/84/56/78/586845678.db2.gz RFIFEOLQFJOTDR-OLZOCXBDSA-N 1 0 248.370 2.412 20 10 BECDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccccc1O ZINC000817950063 586847305 /nfs/dbraw/zinc/84/73/05/586847305.db2.gz RKCIMZYHWXXODO-NWDGAFQWSA-N 1 0 234.343 2.185 20 10 BECDRO Cc1ccc(O)c([C@@H](C)NC[C@@H]2CCC[NH2+]2)c1 ZINC000817951240 586847883 /nfs/dbraw/zinc/84/78/83/586847883.db2.gz CGJGDPNVROGIQW-NEPJUHHUSA-N 1 0 234.343 2.103 20 10 BECDRO CC[C@@H](NC[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000817952856 586848594 /nfs/dbraw/zinc/84/85/94/586848594.db2.gz VNXDVQMYBBDVJJ-DGCLKSJQSA-N 1 0 234.343 2.185 20 10 BECDRO Cc1ccc([C@@H](C)NCC[NH2+]C2CC2)c(O)c1 ZINC000817953561 586848926 /nfs/dbraw/zinc/84/89/26/586848926.db2.gz OGTJBWKBRVZBND-LLVKDONJSA-N 1 0 234.343 2.103 20 10 BECDRO CC[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(C)cc1O ZINC000817952848 586849302 /nfs/dbraw/zinc/84/93/02/586849302.db2.gz VHEKDXRTSCUKBJ-OCCSQVGLSA-N 1 0 248.370 2.493 20 10 BECDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H]1C[C@H]1C ZINC000817956826 586850487 /nfs/dbraw/zinc/85/04/87/586850487.db2.gz DPPBMXZSNPZJFG-GYSYKLTISA-N 1 0 218.344 2.445 20 10 BECDRO CCC[NH2+]CCN[C@@H](C)c1ccc(F)cc1O ZINC000817962776 586852435 /nfs/dbraw/zinc/85/24/35/586852435.db2.gz PGFWDVJPVIAYBX-JTQLQIEISA-N 1 0 240.322 2.182 20 10 BECDRO CCC[NH2+]CCN[C@H](CC)c1ccccc1O ZINC000817963967 586853735 /nfs/dbraw/zinc/85/37/35/586853735.db2.gz ZISGQCGUKKISFZ-CYBMUJFWSA-N 1 0 236.359 2.433 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CNCC[C@@H]2C)c1 ZINC000817969318 586856027 /nfs/dbraw/zinc/85/60/27/586856027.db2.gz UOPTUHIOBYOFIV-OBJOEFQTSA-N 1 0 248.370 2.349 20 10 BECDRO CC[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccccc1O ZINC000817968790 586856925 /nfs/dbraw/zinc/85/69/25/586856925.db2.gz MQYOMPQVVGRZBO-UBHSHLNASA-N 1 0 248.370 2.431 20 10 BECDRO CCN(C)c1ccc([C@H](C)NC[C@H](C)[NH3+])cc1 ZINC000817970987 586858089 /nfs/dbraw/zinc/85/80/89/586858089.db2.gz IWTRAHJWUNQALD-RYUDHWBXSA-N 1 0 235.375 2.141 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CN)c(O)c1 ZINC000817970298 586858231 /nfs/dbraw/zinc/85/82/31/586858231.db2.gz QWJNTTKAVPNQJC-WDEREUQCSA-N 1 0 222.332 2.007 20 10 BECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCOC2)cc1 ZINC000818237036 586881578 /nfs/dbraw/zinc/88/15/78/586881578.db2.gz XHUVAKBTMAMFTE-RDFMZFSFSA-N 1 0 246.354 2.144 20 10 BECDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000825284529 587313034 /nfs/dbraw/zinc/31/30/34/587313034.db2.gz OJEIZXGFEZCOBR-TZMCWYRMSA-N 1 0 235.327 2.439 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H](C)CCO)cc1Cl ZINC000825298170 587313253 /nfs/dbraw/zinc/31/32/53/587313253.db2.gz VWKHGURTABBQON-VIFPVBQESA-N 1 0 243.734 2.215 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)C[C@H](C)O)cc1Cl ZINC000825500459 587321943 /nfs/dbraw/zinc/32/19/43/587321943.db2.gz CAHCQYLPMXHOCR-VIFPVBQESA-N 1 0 243.734 2.167 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1O ZINC000827365119 587378627 /nfs/dbraw/zinc/37/86/27/587378627.db2.gz KAJITAOHSMJPOD-QWHCGFSZSA-N 1 0 247.338 2.094 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827507253 587384611 /nfs/dbraw/zinc/38/46/11/587384611.db2.gz VXEWSUHMRGBBKK-GHMZBOCLSA-N 1 0 233.311 2.243 20 10 BECDRO C[N@H+](CC1=CCSC1)Cc1ccccc1O ZINC000827805340 587403270 /nfs/dbraw/zinc/40/32/70/587403270.db2.gz IVIKQHAAFJPCIE-UHFFFAOYSA-N 1 0 235.352 2.497 20 10 BECDRO COC[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034289 587779396 /nfs/dbraw/zinc/77/93/96/587779396.db2.gz SMSVZFOYIDQQQC-GFUIURDCSA-N 1 0 248.370 2.390 20 10 BECDRO CO[C@@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835049997 587779734 /nfs/dbraw/zinc/77/97/34/587779734.db2.gz LGDBHXVFWMKOND-SZZPACECSA-N 1 0 248.370 2.390 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000840909896 587929586 /nfs/dbraw/zinc/92/95/86/587929586.db2.gz MMDNXKVNNNFIIX-CYBMUJFWSA-N 1 0 248.370 2.282 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000840909898 587929779 /nfs/dbraw/zinc/92/97/79/587929779.db2.gz MMDNXKVNNNFIIX-ZDUSSCGKSA-N 1 0 248.370 2.282 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000840953306 587931872 /nfs/dbraw/zinc/93/18/72/587931872.db2.gz OWSBGAUCNJVADS-HUUCEWRRSA-N 1 0 248.370 2.064 20 10 BECDRO Cc1cc(N(C)C)ccc1CNC[C@H]([NH3+])C(C)C ZINC000841029449 587936323 /nfs/dbraw/zinc/93/63/23/587936323.db2.gz HGBDBFAJNTUBSO-HNNXBMFYSA-N 1 0 249.402 2.134 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](CN)CC(C)C)c1O ZINC000841038468 587937726 /nfs/dbraw/zinc/93/77/26/587937726.db2.gz JZGOYFKMUAPOAM-CYBMUJFWSA-N 1 0 236.359 2.164 20 10 BECDRO Cc1ccc(C[NH2+]CCc2ccc(N)cc2)nc1 ZINC000841037050 587937782 /nfs/dbraw/zinc/93/77/82/587937782.db2.gz YBFRAKHHAAGTDX-UHFFFAOYSA-N 1 0 241.338 2.305 20 10 BECDRO CN(C)c1ccc([C@H](N)C[NH2+]CC2(C)CC2)cc1 ZINC000841045754 587939317 /nfs/dbraw/zinc/93/93/17/587939317.db2.gz PHKIUBCPXFGJJL-CQSZACIVSA-N 1 0 247.386 2.142 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000841056356 587940591 /nfs/dbraw/zinc/94/05/91/587940591.db2.gz FUNJECPGEJURFN-UHFFFAOYSA-N 1 0 248.370 2.180 20 10 BECDRO C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000841076604 587943584 /nfs/dbraw/zinc/94/35/84/587943584.db2.gz JXNPWTDXUHDEGY-AGFGORMFSA-N 1 0 247.386 2.091 20 10 BECDRO CCN(CC)c1ccc(CN[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000841078055 587944806 /nfs/dbraw/zinc/94/48/06/587944806.db2.gz FBQJWXAHSXVXPJ-OLZOCXBDSA-N 1 0 249.402 2.358 20 10 BECDRO COc1ccc(CN[C@H]2CCCC[NH2+]C2)cc1C ZINC000841090325 587946044 /nfs/dbraw/zinc/94/60/44/587946044.db2.gz NZEPNXKBANVLCC-AWEZNQCLSA-N 1 0 248.370 2.235 20 10 BECDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745121 587973938 /nfs/dbraw/zinc/97/39/38/587973938.db2.gz UQCDBNPNUUIQLY-WPRPVWTQSA-N 1 0 243.734 2.467 20 10 BECDRO C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755152 587974528 /nfs/dbraw/zinc/97/45/28/587974528.db2.gz OBBJSHYXIODPHX-YUMQZZPRSA-N 1 0 229.707 2.077 20 10 BECDRO Cc1cc(Cl)cc(CN(C)[C@H](C)C[NH3+])c1O ZINC000843051083 588077193 /nfs/dbraw/zinc/07/71/93/588077193.db2.gz DZBPMDAEUQPJTJ-SECBINFHSA-N 1 0 242.750 2.133 20 10 BECDRO Cc1cc(O)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc1C ZINC000843048959 588077254 /nfs/dbraw/zinc/07/72/54/588077254.db2.gz BTKDXIWSYIMWFP-STQMWFEESA-N 1 0 248.370 2.191 20 10 BECDRO C[NH2+]C[C@H]1CCCN1Cc1cc(C)c(C)cc1O ZINC000843055044 588077573 /nfs/dbraw/zinc/07/75/73/588077573.db2.gz DVROUVZZGWWLTR-CQSZACIVSA-N 1 0 248.370 2.193 20 10 BECDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(C)c(C)cc1O ZINC000843055043 588077700 /nfs/dbraw/zinc/07/77/00/588077700.db2.gz DVROUVZZGWWLTR-AWEZNQCLSA-N 1 0 248.370 2.193 20 10 BECDRO Cc1cc(O)c(CN2CC[NH2+][C@@H](C)[C@@H]2C)cc1C ZINC000843057497 588077800 /nfs/dbraw/zinc/07/78/00/588077800.db2.gz ILMUHFIUCMHQIZ-STQMWFEESA-N 1 0 248.370 2.191 20 10 BECDRO CCC[C@H]1CNCC[N@@H+]1Cc1cccc(C)c1O ZINC000843057627 588078081 /nfs/dbraw/zinc/07/80/81/588078081.db2.gz FZBILRSQFGABAO-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(CN(C)C2(C[NH3+])CCC2)c1O ZINC000843125589 588084559 /nfs/dbraw/zinc/08/45/59/588084559.db2.gz XWKFWSYPYZWARO-UHFFFAOYSA-N 1 0 234.343 2.014 20 10 BECDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccccc1O ZINC000846014823 588253802 /nfs/dbraw/zinc/25/38/02/588253802.db2.gz AMHXGOAQDQGPOE-AAEUAGOBSA-N 1 0 237.343 2.279 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCC2(CO)CCC2)c1 ZINC000846102569 588256712 /nfs/dbraw/zinc/25/67/12/588256712.db2.gz ODJNHRRBDCXNLA-UHFFFAOYSA-N 1 0 249.354 2.343 20 10 BECDRO Oc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113214 588257163 /nfs/dbraw/zinc/25/71/63/588257163.db2.gz WSJFFCNDXJMZHH-AOOOYVTPSA-N 1 0 225.238 2.089 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)CCF)c1 ZINC000846208811 588259925 /nfs/dbraw/zinc/25/99/25/588259925.db2.gz LUKZLCPXWOOWNH-GHMZBOCLSA-N 1 0 241.306 2.072 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CCF)c(O)c1 ZINC000846209368 588260074 /nfs/dbraw/zinc/26/00/74/588260074.db2.gz QRXRFNPDEYNIRI-GHMZBOCLSA-N 1 0 241.306 2.072 20 10 BECDRO CCc1cccc(C[N@H+](C)CCCCO)c1O ZINC000848906187 588418678 /nfs/dbraw/zinc/41/86/78/588418678.db2.gz QYPWUXKGIMUBOS-UHFFFAOYSA-N 1 0 237.343 2.159 20 10 BECDRO CCc1cccc(C[N@@H+]2CCC[C@]2(C)CO)c1O ZINC000848906047 588418720 /nfs/dbraw/zinc/41/87/20/588418720.db2.gz QBTSSUSLQCPFMS-OAHLLOKOSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000848902071 588418747 /nfs/dbraw/zinc/41/87/47/588418747.db2.gz JJWYVDBZCRCJIK-DGCLKSJQSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000848908204 588419303 /nfs/dbraw/zinc/41/93/03/588419303.db2.gz OWIUUTMKLUGQRX-ZDUSSCGKSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1O ZINC000848906663 588419496 /nfs/dbraw/zinc/41/94/96/588419496.db2.gz XPZRJKIQQGQSCZ-RISCZKNCSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[NH+]2CC(C)(COC)C2)c1O ZINC000848915849 588419997 /nfs/dbraw/zinc/41/99/97/588419997.db2.gz BJTQYOPGJOTGSH-UHFFFAOYSA-N 1 0 249.354 2.423 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H]2COC)c1O ZINC000848914447 588420119 /nfs/dbraw/zinc/42/01/19/588420119.db2.gz NABWLIQPTDLMMG-ZDUSSCGKSA-N 1 0 235.327 2.175 20 10 BECDRO Oc1ccccc1C[NH+]1CC2(CC2(F)F)C1 ZINC000848922686 588420719 /nfs/dbraw/zinc/42/07/19/588420719.db2.gz XVTUXOCZLWPCAB-UHFFFAOYSA-N 1 0 225.238 2.233 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000848919420 588420757 /nfs/dbraw/zinc/42/07/57/588420757.db2.gz KPSUOLKBGCNWEC-MCIONIFRSA-N 1 0 247.338 2.364 20 10 BECDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000850360249 588540669 /nfs/dbraw/zinc/54/06/69/588540669.db2.gz DYPGHEICDWJPLA-CTYIDZIISA-N 1 0 248.370 2.410 20 10 BECDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000850408766 588544484 /nfs/dbraw/zinc/54/44/84/588544484.db2.gz FAWQPGGLNMBKDL-KGLIPLIRSA-N 1 0 235.327 2.276 20 10 BECDRO CC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000850527527 588557538 /nfs/dbraw/zinc/55/75/38/588557538.db2.gz ALXNZUJPMXMTDX-PSASIEDQSA-N 1 0 243.734 2.467 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c(O)c1C ZINC000850579028 588561590 /nfs/dbraw/zinc/56/15/90/588561590.db2.gz QVXPPRGLMYCMOZ-IJLUTSLNSA-N 1 0 235.327 2.183 20 10 BECDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Cl)ccc1O ZINC000850577871 588561788 /nfs/dbraw/zinc/56/17/88/588561788.db2.gz DUXIOKNSDLRWAR-SZEHBUNVSA-N 1 0 241.718 2.220 20 10 BECDRO Cc1nnc([C@H](C)N(C)Cc2ccccc2O)o1 ZINC000109772748 588592181 /nfs/dbraw/zinc/59/21/81/588592181.db2.gz KEYFUXXBGJLIKE-VIFPVBQESA-N 1 0 247.298 2.277 20 10 BECDRO Cc1cccc(CN2CC3(C2)CCCO3)c1O ZINC000862484292 589216845 /nfs/dbraw/zinc/21/68/45/589216845.db2.gz JFYJGJNKCADCSC-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)c(O)c1 ZINC000863544940 589298002 /nfs/dbraw/zinc/29/80/02/589298002.db2.gz FMYSYDVWMDTUPA-RWMBFGLXSA-N 1 0 248.370 2.492 20 10 BECDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N(C)C)cc1 ZINC000863547789 589298285 /nfs/dbraw/zinc/29/82/85/589298285.db2.gz YYJUJJHBAIYTIV-TYNCELHUSA-N 1 0 247.386 2.154 20 10 BECDRO CN(CC[C@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000863558724 589299032 /nfs/dbraw/zinc/29/90/32/589299032.db2.gz USMILBICGFRGOG-GFCCVEGCSA-N 1 0 233.359 2.095 20 10 BECDRO C[C@@H]([NH3+])CN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000863651177 589307008 /nfs/dbraw/zinc/30/70/08/589307008.db2.gz CJMOJLQJUJFVRY-URWSZGRFSA-N 1 0 247.386 2.045 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865754670 589461116 /nfs/dbraw/zinc/46/11/16/589461116.db2.gz ZIAQTHXXCZHWHL-RKDXNWHRSA-N 1 0 231.217 2.433 20 10 BECDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccccc1O ZINC000205806749 589471486 /nfs/dbraw/zinc/47/14/86/589471486.db2.gz IEFKZWFPPAWCGS-CYBMUJFWSA-N 1 0 237.343 2.279 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)CO)c1 ZINC000122054879 589551744 /nfs/dbraw/zinc/55/17/44/589551744.db2.gz GNZJCMTUBURPAQ-LLVKDONJSA-N 1 0 237.343 2.370 20 10 BECDRO COC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000122803921 589633371 /nfs/dbraw/zinc/63/33/71/589633371.db2.gz LSSCUDBBPXDNJX-GFCCVEGCSA-N 1 0 236.359 2.186 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c(O)c1C ZINC000872125644 589876208 /nfs/dbraw/zinc/87/62/08/589876208.db2.gz DQRSTXFVAHNYIC-JHJVBQTASA-N 1 0 249.354 2.431 20 10 BECDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872785528 589970513 /nfs/dbraw/zinc/97/05/13/589970513.db2.gz SXHCJDJIDOFFPM-OKILXGFUSA-N 1 0 247.338 2.087 20 10 BECDRO CCCOc1ccc(C[NH2+]CCCO)cc1C ZINC000873007668 589978872 /nfs/dbraw/zinc/97/88/72/589978872.db2.gz ZFNMTKPAFDQLLZ-UHFFFAOYSA-N 1 0 237.343 2.256 20 10 BECDRO Cc1cccc(C[N@@H+]2CCOC(C)(C)C2)c1O ZINC000124549667 590049767 /nfs/dbraw/zinc/04/97/67/590049767.db2.gz WGJZIBCLKBHQQI-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000876512689 590206065 /nfs/dbraw/zinc/20/60/65/590206065.db2.gz VZRBXRGWUGJIBP-VXGBXAGGSA-N 1 0 235.327 2.310 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000876560275 590215755 /nfs/dbraw/zinc/21/57/55/590215755.db2.gz JOFXVWUQSXESLF-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000876566871 590217077 /nfs/dbraw/zinc/21/70/77/590217077.db2.gz VUHUGFFZWFHSIC-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCO2)c(O)c1 ZINC000876566838 590217222 /nfs/dbraw/zinc/21/72/22/590217222.db2.gz UXXSZVPXWAKPLG-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)c(O)c1 ZINC000876697504 590231598 /nfs/dbraw/zinc/23/15/98/590231598.db2.gz USFVQBYCMUBLIO-LBPRGKRZSA-N 1 0 237.343 2.292 20 10 BECDRO CCN1CC[N@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC000876714928 590232704 /nfs/dbraw/zinc/23/27/04/590232704.db2.gz GIOZSFZUEJRVBS-ZDUSSCGKSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)c(O)c1 ZINC000876765470 590239556 /nfs/dbraw/zinc/23/95/56/590239556.db2.gz XNFCKGMKLLRYKX-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000876789820 590241271 /nfs/dbraw/zinc/24/12/71/590241271.db2.gz KHBIBFJPCLFWKT-OAHLLOKOSA-N 1 0 247.338 2.313 20 10 BECDRO CCC(CC)(CO)[NH2+]Cc1ccc(C)cc1O ZINC000877037361 590272749 /nfs/dbraw/zinc/27/27/49/590272749.db2.gz OIQOLTRREJEXBL-UHFFFAOYSA-N 1 0 237.343 2.341 20 10 BECDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)C(C)C ZINC000877044868 590274103 /nfs/dbraw/zinc/27/41/03/590274103.db2.gz JOUQDKRYKNMPJT-ZDUSSCGKSA-N 1 0 237.343 2.461 20 10 BECDRO Cc1ccc(C[NH2+]CC(C)(C)CCO)c(O)c1 ZINC000877063612 590276673 /nfs/dbraw/zinc/27/66/73/590276673.db2.gz HKJXWUBJPKCXPP-UHFFFAOYSA-N 1 0 237.343 2.199 20 10 BECDRO CO[C@@H](C[NH2+]Cc1ccc(C)cc1O)C(C)C ZINC000877068316 590277184 /nfs/dbraw/zinc/27/71/84/590277184.db2.gz VEKKXJJNAHCGDD-AWEZNQCLSA-N 1 0 237.343 2.461 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCSC2)c(O)c1 ZINC000877071764 590277560 /nfs/dbraw/zinc/27/75/60/590277560.db2.gz BRWMNBHJFDAFLN-NSHDSACASA-N 1 0 223.341 2.296 20 10 BECDRO CN(C(=O)CCCCCC[NH3+])c1ccc(N)cc1 ZINC000877079066 590279551 /nfs/dbraw/zinc/27/95/51/590279551.db2.gz PCSKEQWUVCKOLD-UHFFFAOYSA-N 1 0 249.358 2.141 20 10 BECDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(C)cc1O ZINC000877088225 590281055 /nfs/dbraw/zinc/28/10/55/590281055.db2.gz DGWUXQHGGUTVOQ-CQSZACIVSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000877095434 590281715 /nfs/dbraw/zinc/28/17/15/590281715.db2.gz YGWFYRZYGUTVFA-BETUJISGSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+]CC[C@H]2CCOC2)c(O)c1 ZINC000877314055 590312831 /nfs/dbraw/zinc/31/28/31/590312831.db2.gz OYBVEQQMLNZHGL-LBPRGKRZSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)CC1(O)CCC1 ZINC000877346200 590319306 /nfs/dbraw/zinc/31/93/06/590319306.db2.gz PQXQQZUWAOIOKO-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000877406415 590324128 /nfs/dbraw/zinc/32/41/28/590324128.db2.gz XBQUDLJJHARTGT-ITDFMYJTSA-N 1 0 235.327 2.117 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000877423323 590325320 /nfs/dbraw/zinc/32/53/20/590325320.db2.gz XOEULZBJVHOSOM-CHWSQXEVSA-N 1 0 235.327 2.094 20 10 BECDRO CC[C@]1(O)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877440716 590328268 /nfs/dbraw/zinc/32/82/68/590328268.db2.gz IYNIIRWMUJMUMA-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[NH2+]CC2(N(C)C)CCC2)c(O)c1 ZINC000877462131 590332599 /nfs/dbraw/zinc/33/25/99/590332599.db2.gz OVUPIJAFSGTNRQ-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000877520208 590345654 /nfs/dbraw/zinc/34/56/54/590345654.db2.gz PWYWILQXIWKAQZ-STQMWFEESA-N 1 0 249.354 2.463 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H](CO)C(C)C ZINC000877523799 590346494 /nfs/dbraw/zinc/34/64/94/590346494.db2.gz YYENNAOSFORSHR-GFCCVEGCSA-N 1 0 237.343 2.055 20 10 BECDRO Cc1cccc(O)c1CN(C)CC[NH+]1CCCC1 ZINC000877524988 590347120 /nfs/dbraw/zinc/34/71/20/590347120.db2.gz NCBYWXQOBSEHFI-UHFFFAOYSA-N 1 0 248.370 2.228 20 10 BECDRO Cc1ccc(C[NH2+][C@](C)(CO)C(C)C)c(O)c1 ZINC000877539294 590351302 /nfs/dbraw/zinc/35/13/02/590351302.db2.gz NAKTVFVIYOGGGE-CQSZACIVSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(O)c1 ZINC000877552178 590354946 /nfs/dbraw/zinc/35/49/46/590354946.db2.gz LRABGWFNUSZZPZ-BETUJISGSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c(O)c1 ZINC000877553287 590355442 /nfs/dbraw/zinc/35/54/42/590355442.db2.gz MUJFARXLEFSBPU-IUODEOHRSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000877555711 590356097 /nfs/dbraw/zinc/35/60/97/590356097.db2.gz ZJFWODNISWZVCA-CYBMUJFWSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CC2(CC2)C1 ZINC000877557653 590358519 /nfs/dbraw/zinc/35/85/19/590358519.db2.gz WGEPLNWWOCUJCS-UHFFFAOYSA-N 1 0 203.285 2.296 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCn3ccnc32)c(O)c1 ZINC000877557931 590358651 /nfs/dbraw/zinc/35/86/51/590358651.db2.gz ZBUPZKHPNCJEEN-GFCCVEGCSA-N 1 0 243.310 2.132 20 10 BECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(C)cccc1O ZINC000877562429 590359953 /nfs/dbraw/zinc/35/99/53/590359953.db2.gz ZVUFAAOPNXCOGQ-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](C)CCCCO)c(O)c1 ZINC000877562447 590360017 /nfs/dbraw/zinc/36/00/17/590360017.db2.gz SQHZHWRQWWYUIS-LBPRGKRZSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1ccc(C[NH2+][C@H](C)CC(C)(C)O)c(O)c1 ZINC000877563215 590360656 /nfs/dbraw/zinc/36/06/56/590360656.db2.gz IIGIJSWIRQQBAD-LLVKDONJSA-N 1 0 237.343 2.340 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000877579055 590364215 /nfs/dbraw/zinc/36/42/15/590364215.db2.gz RUOOJXCYVUBFLJ-NWDGAFQWSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ncc(C[NH2+]Cc2ccc(C)cc2O)o1 ZINC000877583332 590366276 /nfs/dbraw/zinc/36/62/76/590366276.db2.gz OVKOWLZNLPWHNY-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO COCC[C@@H](C)C[NH2+]Cc1c(C)cccc1O ZINC000877587177 590367831 /nfs/dbraw/zinc/36/78/31/590367831.db2.gz HIGNSRSMVLUBRY-LLVKDONJSA-N 1 0 237.343 2.463 20 10 BECDRO CCn1ccc(C[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877587077 590368036 /nfs/dbraw/zinc/36/80/36/590368036.db2.gz DCMFMWXJPBIHBW-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)CC1=CCCOC1 ZINC000877629343 590377920 /nfs/dbraw/zinc/37/79/20/590377920.db2.gz RCJHIJONWOCCAL-UHFFFAOYSA-N 1 0 247.338 2.479 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H](CO)CC1CC1 ZINC000877631630 590378050 /nfs/dbraw/zinc/37/80/50/590378050.db2.gz LCDIXDCNZVAPBJ-CYBMUJFWSA-N 1 0 249.354 2.199 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H](CO)CC2CC2)c(O)c1 ZINC000877631611 590378279 /nfs/dbraw/zinc/37/82/79/590378279.db2.gz KMRDTKXDGCAFFL-CYBMUJFWSA-N 1 0 249.354 2.199 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)c1 ZINC000877638022 590381805 /nfs/dbraw/zinc/38/18/05/590381805.db2.gz RKVOYVSJWOQJDO-KBPBESRZSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC000877649643 590383858 /nfs/dbraw/zinc/38/38/58/590383858.db2.gz DEUWKYWKVUMHEO-TXEJJXNPSA-N 1 0 203.285 2.152 20 10 BECDRO CCn1nccc1C[NH2+]Cc1c(C)cccc1O ZINC000877644646 590384311 /nfs/dbraw/zinc/38/43/11/590384311.db2.gz YNZHVWCRBOSNNB-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000877658755 590385642 /nfs/dbraw/zinc/38/56/42/590385642.db2.gz WKYHPHRGKFBUMV-IUODEOHRSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000877658757 590385682 /nfs/dbraw/zinc/38/56/82/590385682.db2.gz WKYHPHRGKFBUMV-WFASDCNBSA-N 1 0 247.338 2.358 20 10 BECDRO CC[C@]1(O)CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877691759 590393331 /nfs/dbraw/zinc/39/33/31/590393331.db2.gz VOXDXRSNMLWGON-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cc(Cl)cc(C[NH2+]C2(C)COC2)c1O ZINC000877691357 590393384 /nfs/dbraw/zinc/39/33/84/590393384.db2.gz NTIUBZYOKBPVCL-UHFFFAOYSA-N 1 0 241.718 2.233 20 10 BECDRO Oc1cccc2c1C[N@H+](CC1=CCCOC1)C2 ZINC000877702962 590396817 /nfs/dbraw/zinc/39/68/17/590396817.db2.gz MHYXRLFTAMLMGI-UHFFFAOYSA-N 1 0 231.295 2.055 20 10 BECDRO COc1cccc(C[NH+]2CC(C)(C)C2)c1O ZINC000877717038 590398392 /nfs/dbraw/zinc/39/83/92/590398392.db2.gz BYHCBQXGVYMXFI-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1O ZINC000877755857 590417736 /nfs/dbraw/zinc/41/77/36/590417736.db2.gz OZTIGFDMUFHJSJ-NQBHXWOUSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@H]([NH2+]Cc1ccc(CO)o1)c1ccccc1O ZINC000877757331 590417867 /nfs/dbraw/zinc/41/78/67/590417867.db2.gz QGMIZSCKFHSQGP-JTQLQIEISA-N 1 0 247.294 2.328 20 10 BECDRO Cc1ccc(C[NH2+][C@H](C)c2ccnn2C)c(O)c1 ZINC000877761516 590419594 /nfs/dbraw/zinc/41/95/94/590419594.db2.gz IBBDFLHIZVQJBI-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1c(C)cccc1O ZINC000877779155 590423092 /nfs/dbraw/zinc/42/30/92/590423092.db2.gz ZRJCDRFCURYDAF-NWDGAFQWSA-N 1 0 237.343 2.340 20 10 BECDRO COC(CC[NH2+][C@@H](C)c1ccccc1O)OC ZINC000879649721 590841372 /nfs/dbraw/zinc/84/13/72/590841372.db2.gz DOMXPSCAMYFQFK-JTQLQIEISA-N 1 0 239.315 2.052 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccccc1O ZINC000879650278 590843177 /nfs/dbraw/zinc/84/31/77/590843177.db2.gz STVLIJJLGWFINX-GRYCIOLGSA-N 1 0 235.327 2.468 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn(C)n2)c1 ZINC000213178510 591454659 /nfs/dbraw/zinc/45/46/59/591454659.db2.gz FBIQBJKHEBRHPD-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000130773742 591519037 /nfs/dbraw/zinc/51/90/37/591519037.db2.gz UMODJNBFLNECTH-GFCCVEGCSA-N 1 0 248.370 2.318 20 10 BECDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000131098063 591552713 /nfs/dbraw/zinc/55/27/13/591552713.db2.gz OYJKGUDQCPDEGJ-KOLCDFICSA-N 1 0 249.310 2.399 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000131209103 591571607 /nfs/dbraw/zinc/57/16/07/591571607.db2.gz XSGAYVFKSBXYPA-YPMHNXCESA-N 1 0 234.343 2.192 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000131208733 591571957 /nfs/dbraw/zinc/57/19/57/591571957.db2.gz XSGAYVFKSBXYPA-DGCLKSJQSA-N 1 0 234.343 2.192 20 10 BECDRO C[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000132473900 591711340 /nfs/dbraw/zinc/71/13/40/591711340.db2.gz DWKUKKGLTNJGTP-VIFPVBQESA-N 1 0 241.718 2.266 20 10 BECDRO CC[C@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000132633470 591725946 /nfs/dbraw/zinc/72/59/46/591725946.db2.gz FSWAUCNJTAHJTI-LBPRGKRZSA-N 1 0 221.300 2.003 20 10 BECDRO COC(C)(C)C[NH2+]Cc1cc(C)ccc1O ZINC000133033410 591757102 /nfs/dbraw/zinc/75/71/02/591757102.db2.gz QWZFANFYMVCKLW-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO CC(C)(CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000133519013 591811793 /nfs/dbraw/zinc/81/17/93/591811793.db2.gz ZNPBLQCHPFCSBA-UHFFFAOYSA-N 1 0 243.734 2.154 20 10 BECDRO COC(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000133986884 591873466 /nfs/dbraw/zinc/87/34/66/591873466.db2.gz VUESWZAJVXJFQT-JTQLQIEISA-N 1 0 223.316 2.468 20 10 BECDRO COCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134905827 591958261 /nfs/dbraw/zinc/95/82/61/591958261.db2.gz HLEJHRGFZYVAGC-QMMMGPOBSA-N 1 0 229.707 2.343 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000230163809 635482686 /nfs/dbraw/zinc/48/26/86/635482686.db2.gz IEDYTOQWGSUNFZ-AWEZNQCLSA-N 1 0 248.370 2.269 20 10 BECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CCF ZINC000308502769 631413033 /nfs/dbraw/zinc/41/30/33/631413033.db2.gz BERCBPJGPBRZQC-UHFFFAOYSA-N 1 0 221.634 2.244 20 10 BECDRO C[NH2+]CCCN(C)Cc1cc(Cl)ccc1O ZINC000087472377 631481029 /nfs/dbraw/zinc/48/10/29/631481029.db2.gz NSNYVHSWTGDCTM-UHFFFAOYSA-N 1 0 242.750 2.087 20 10 BECDRO Cc1ncccc1C[NH2+]Cc1ccccc1O ZINC000310437770 632739681 /nfs/dbraw/zinc/73/96/81/632739681.db2.gz OXDULISBDDKALZ-UHFFFAOYSA-N 1 0 228.295 2.385 20 10 BECDRO COc1cccc(O)c1C[NH2+]Cc1ccco1 ZINC000725841666 632765710 /nfs/dbraw/zinc/76/57/10/632765710.db2.gz TVSCHDPIOZFKLU-UHFFFAOYSA-N 1 0 233.267 2.284 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cncn2C)c1 ZINC000289747206 632843168 /nfs/dbraw/zinc/84/31/68/632843168.db2.gz KWZINIBWQYNJTD-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c1O ZINC000310736284 632926959 /nfs/dbraw/zinc/92/69/59/632926959.db2.gz PINJLIGUOYNYOD-JSGCOSHPSA-N 1 0 249.354 2.341 20 10 BECDRO CC(C)OC[C@H](C)[NH2+]Cc1ccccc1O ZINC000309412835 633033064 /nfs/dbraw/zinc/03/30/64/633033064.db2.gz YGSKSBNGEAUQIR-NSHDSACASA-N 1 0 223.316 2.295 20 10 BECDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2O)O1 ZINC000162939651 633042870 /nfs/dbraw/zinc/04/28/70/633042870.db2.gz ULVKZBYNQVIVNK-ZYHUDNBSSA-N 1 0 221.300 2.049 20 10 BECDRO CC[C@@H]([NH2+][C@H](C)CO)c1cc(Cl)ccc1O ZINC000309421634 633048254 /nfs/dbraw/zinc/04/82/54/633048254.db2.gz DSPVJLXYAGOWTA-LDYMZIIASA-N 1 0 243.734 2.467 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CC1(O)CCCC1)CC2 ZINC000311129756 633074719 /nfs/dbraw/zinc/07/47/19/633074719.db2.gz BVOROMMIUFHMKC-GFCCVEGCSA-N 1 0 247.338 2.274 20 10 BECDRO CCC[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1O ZINC000180728031 633900245 /nfs/dbraw/zinc/90/02/45/633900245.db2.gz NJBGGCGKKSDLCF-ZDUSSCGKSA-N 1 0 241.306 2.172 20 10 BECDRO CC[C@@H]([NH2+][C@H](CO)C(C)C)c1ccccc1O ZINC000092393806 634115320 /nfs/dbraw/zinc/11/53/20/634115320.db2.gz ZYXXCSWOTFUROT-CHWSQXEVSA-N 1 0 237.343 2.450 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1C ZINC000862441101 636627549 /nfs/dbraw/zinc/62/75/49/636627549.db2.gz OKGLTLZJOYIXKY-TXEJJXNPSA-N 1 0 217.312 2.461 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000041015015 636951431 /nfs/dbraw/zinc/95/14/31/636951431.db2.gz FIWAYRATFFTSKA-JTQLQIEISA-N 1 0 231.299 2.275 20 10 BECDRO COc1cccc(O)c1C[NH2+]C/C=C/Cl ZINC000898436899 637042241 /nfs/dbraw/zinc/04/22/41/637042241.db2.gz WNAHKKLLMBFDCT-ZZXKWVIFSA-N 1 0 227.691 2.243 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CS1 ZINC000162936263 637229590 /nfs/dbraw/zinc/22/95/90/637229590.db2.gz LLOUFZOOHSVLJM-GXSJLCMTSA-N 1 0 223.341 2.376 20 10 BECDRO COc1ccc(CN[C@H]2C[NH2+]CC2(C)C)cc1C ZINC000904461428 637406212 /nfs/dbraw/zinc/40/62/12/637406212.db2.gz ATXPDLDIVJCHQB-AWEZNQCLSA-N 1 0 248.370 2.091 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CCOC1)CC2 ZINC000311106697 639534529 /nfs/dbraw/zinc/53/45/29/639534529.db2.gz VLMGSBRLZJDITP-DGCLKSJQSA-N 1 0 247.338 2.396 20 10 BECDRO CCN(C(=O)C1=CCC[NH2+]CC1)c1ccccc1 ZINC000911907625 639889330 /nfs/dbraw/zinc/88/93/30/639889330.db2.gz VNAMHVJUDIQCBL-UHFFFAOYSA-N 1 0 244.338 2.349 20 10 BECDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccccc1O ZINC000163983639 640434607 /nfs/dbraw/zinc/43/46/07/640434607.db2.gz WVJFVIWUEUQJGQ-WDEREUQCSA-N 1 0 223.316 2.204 20 10 BECDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccccc1O ZINC000163983744 640434873 /nfs/dbraw/zinc/43/48/73/640434873.db2.gz WVJFVIWUEUQJGQ-MNOVXSKESA-N 1 0 223.316 2.204 20 10 BECDRO COCCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000164215054 640454915 /nfs/dbraw/zinc/45/49/15/640454915.db2.gz NWFUHVFEQWXJCG-UHFFFAOYSA-N 1 0 237.343 2.477 20 10 BECDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000224255738 640607884 /nfs/dbraw/zinc/60/78/84/640607884.db2.gz NYYBIVYAXMRMFN-CQSZACIVSA-N 1 0 249.354 2.118 20 10 BECDRO Cc1cc(CNCc2cc(F)ccc2O)no1 ZINC000226586460 640778336 /nfs/dbraw/zinc/77/83/36/640778336.db2.gz DSXGDOATWICNLD-UHFFFAOYSA-N 1 0 236.246 2.118 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CCC1CC1 ZINC000226613056 640779967 /nfs/dbraw/zinc/77/99/67/640779967.db2.gz UTCMUHGVIQMQRK-UHFFFAOYSA-N 1 0 209.264 2.421 20 10 BECDRO C[C@]1([NH2+]Cc2cc(F)ccc2O)CCCOC1 ZINC000226626078 640784601 /nfs/dbraw/zinc/78/46/01/640784601.db2.gz KPAFYPCAEPKEBO-ZDUSSCGKSA-N 1 0 239.290 2.190 20 10 BECDRO C[C@@H](CO)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311177202 640831714 /nfs/dbraw/zinc/83/17/14/640831714.db2.gz VHYWGIZAQKGLTQ-DGCLKSJQSA-N 1 0 249.354 2.378 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@]2(C)CCO[C@H]2C)c1 ZINC000230154152 641031482 /nfs/dbraw/zinc/03/14/82/641031482.db2.gz NYOOXTFSIPKJHX-SMDDNHRTSA-N 1 0 235.327 2.358 20 10 BECDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230150754 641032037 /nfs/dbraw/zinc/03/20/37/641032037.db2.gz XLEMKDIQRUDQMK-ABAIWWIYSA-N 1 0 247.338 2.279 20 10 BECDRO c1cc2c(cc1C[NH2+]C[C@@H]1CCCO1)CCCO2 ZINC000062351250 641039661 /nfs/dbraw/zinc/03/96/61/641039661.db2.gz JFGVVSYRVTWWDH-AWEZNQCLSA-N 1 0 247.338 2.280 20 10 BECDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1O ZINC000230410549 641052287 /nfs/dbraw/zinc/05/22/87/641052287.db2.gz LLDKQIUDHDZUJX-RYUDHWBXSA-N 1 0 235.327 2.469 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000039225793 641216966 /nfs/dbraw/zinc/21/69/66/641216966.db2.gz BDKIGUZKDNCELL-OAHLLOKOSA-N 1 0 248.370 2.099 20 10 BECDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](C)CO ZINC000077423897 641855833 /nfs/dbraw/zinc/85/58/33/641855833.db2.gz VVCWZOVBGNMUGF-RKDXNWHRSA-N 1 0 243.734 2.152 20 10 BECDRO Oc1cc2c(cc1C[NH+]1CCCC1)CCC2 ZINC000915790160 641858123 /nfs/dbraw/zinc/85/81/23/641858123.db2.gz HHEUMGQHBDDHHU-UHFFFAOYSA-N 1 0 217.312 2.477 20 10 BECDRO COc1cc(C)cc(C[NH+]2CCCC2)c1O ZINC000915790151 641858356 /nfs/dbraw/zinc/85/83/56/641858356.db2.gz GILIILYLMJOGSF-UHFFFAOYSA-N 1 0 221.300 2.305 20 10 BECDRO Cc1cc(O)c(C[N@H+]2CCCN(C)CC2)cc1C ZINC000915795047 641859224 /nfs/dbraw/zinc/85/92/24/641859224.db2.gz MLUULAJTXYNJAW-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO CO[C@H](C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000191199428 641906095 /nfs/dbraw/zinc/90/60/95/641906095.db2.gz RXRMMSTZWXVOOB-MRVPVSSYSA-N 1 0 229.707 2.170 20 10 BECDRO COc1ccc(O)c(C[NH2+]CCCSC)c1 ZINC000068997574 642386167 /nfs/dbraw/zinc/38/61/67/642386167.db2.gz JQSGICUFWSVVHP-UHFFFAOYSA-N 1 0 241.356 2.244 20 10 BECDRO COC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921470366 642621765 /nfs/dbraw/zinc/62/17/65/642621765.db2.gz BGTRLMGQWABJFV-LLVKDONJSA-N 1 0 235.327 2.136 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCOC1 ZINC000071011530 643093537 /nfs/dbraw/zinc/09/35/37/643093537.db2.gz AHUCFOPVMZVWOB-NSHDSACASA-N 1 0 241.718 2.314 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCOC1 ZINC000071011527 643094301 /nfs/dbraw/zinc/09/43/01/643094301.db2.gz AHUCFOPVMZVWOB-LLVKDONJSA-N 1 0 241.718 2.314 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)c2ccco2)c1 ZINC000304509345 643121147 /nfs/dbraw/zinc/12/11/47/643121147.db2.gz HQRZVUBQTGFSDP-ZDUSSCGKSA-N 1 0 247.294 2.117 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)c(O)c1 ZINC000186067547 643435509 /nfs/dbraw/zinc/43/55/09/643435509.db2.gz NCQHKSFJWFAQEI-DRZSPHRISA-N 1 0 235.327 2.265 20 10 BECDRO c1cc2c(cc1C[NH2+]C[C@@H]1CCOC1)CCCO2 ZINC000921526445 643581834 /nfs/dbraw/zinc/58/18/34/643581834.db2.gz DNAUYRDNWBCFOL-ZDUSSCGKSA-N 1 0 247.338 2.138 20 10 BECDRO COC[C@H](C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921597554 643617347 /nfs/dbraw/zinc/61/73/47/643617347.db2.gz FLBPMNXTJLAGEH-GFCCVEGCSA-N 1 0 249.354 2.384 20 10 BECDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N(C)C ZINC000921687151 643741649 /nfs/dbraw/zinc/74/16/49/643741649.db2.gz YAWWTLTVKOZDML-LBPRGKRZSA-N 1 0 248.370 2.051 20 10 BECDRO OC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000921721355 643764118 /nfs/dbraw/zinc/76/41/18/643764118.db2.gz ALLHVWDDBYTXRY-UHFFFAOYSA-N 1 0 247.338 2.016 20 10 BECDRO CC1(C[NH2+]Cc2ccc3c(c2)CCCO3)COC1 ZINC000921738867 643768185 /nfs/dbraw/zinc/76/81/85/643768185.db2.gz XWKQOQWJZKFETI-UHFFFAOYSA-N 1 0 247.338 2.138 20 10 BECDRO CC[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921766644 643780102 /nfs/dbraw/zinc/78/01/02/643780102.db2.gz IEBOGOJKRHOBLI-CQSZACIVSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756448380 644627904 /nfs/dbraw/zinc/62/79/04/644627904.db2.gz BWEMGJSXVXUYCO-MRTMQBJTSA-N 1 0 239.290 2.050 20 10 BECDRO COCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000092730759 644666516 /nfs/dbraw/zinc/66/65/16/644666516.db2.gz NDSJXUCCAPQLOM-SNAWJCMRSA-N 1 0 234.343 2.002 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC000773758014 644695848 /nfs/dbraw/zinc/69/58/48/644695848.db2.gz VVYBCVHIVVXJOA-UHFFFAOYSA-N 1 0 248.370 2.365 20 10 BECDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccccc1O ZINC000304065304 644869026 /nfs/dbraw/zinc/86/90/26/644869026.db2.gz SVJPLIPCBCATKU-SMDDNHRTSA-N 1 0 237.343 2.279 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252703537 644885400 /nfs/dbraw/zinc/88/54/00/644885400.db2.gz KHVXQQUDIKGVMC-JOCQHMNTSA-N 1 0 235.327 2.094 20 10 BECDRO CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(F)cc1[O-] ZINC000817979834 644992510 /nfs/dbraw/zinc/99/25/10/644992510.db2.gz PNOJIIRXJCWQIW-SBMIAAHKSA-N 1 0 240.322 2.308 20 10 BECDRO Cc1cc(C[NH2+][C@@H]2COC[C@H]2C)ccc1N(C)C ZINC000925434481 646282952 /nfs/dbraw/zinc/28/29/52/646282952.db2.gz LJEOUXZMKAYRIM-TZMCWYRMSA-N 1 0 248.370 2.186 20 10 BECDRO CCc1cccc(C[NH2+]C2CSC2)c1O ZINC000701978740 712034372 /nfs/dbraw/zinc/03/43/72/712034372.db2.gz GWNYADXIXVQJAG-UHFFFAOYSA-N 1 0 223.341 2.160 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2CC23CC3)cc1 ZINC000715324692 712383805 /nfs/dbraw/zinc/38/38/05/712383805.db2.gz YBDBZKCXMNUGNW-CYBMUJFWSA-N 1 0 216.328 2.395 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CCO1 ZINC000720481242 712846566 /nfs/dbraw/zinc/84/65/66/712846566.db2.gz GTJFJLMHEOFBHX-LLVKDONJSA-N 1 0 221.300 2.003 20 10 BECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397718858 710909762 /nfs/dbraw/zinc/90/97/62/710909762.db2.gz ABUJSERCTASGPO-BZBKMWRSSA-N 1 0 221.275 2.419 20 10 BECDRO C[C@H](O)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000383872001 710986354 /nfs/dbraw/zinc/98/63/54/710986354.db2.gz PXELIMDRMMRTJU-JQWIXIFHSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H](C)O1 ZINC000384570427 710994024 /nfs/dbraw/zinc/99/40/24/710994024.db2.gz IZKFMQREVJNUDX-JTNHKYCSSA-N 1 0 247.338 2.277 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)[C@H]1C ZINC000386181636 711024894 /nfs/dbraw/zinc/02/48/94/711024894.db2.gz CHXUIHQZIXLUNE-UHIISALHSA-N 1 0 218.344 2.445 20 10 BECDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Cl)[C@H](C)O ZINC000386748875 711036066 /nfs/dbraw/zinc/03/60/66/711036066.db2.gz GAMFWUPUPPDPJU-GZMMTYOYSA-N 1 0 243.734 2.295 20 10 BECDRO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000386996372 711039621 /nfs/dbraw/zinc/03/96/21/711039621.db2.gz LCZXHFWLDZWRDX-GRYCIOLGSA-N 1 0 236.359 2.173 20 10 BECDRO CCCN1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000389430832 711078976 /nfs/dbraw/zinc/07/89/76/711078976.db2.gz YDSDEJJMNBNXMV-CQSZACIVSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cnn(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC000394066022 711183354 /nfs/dbraw/zinc/18/33/54/711183354.db2.gz LRBVASPCYSRKJC-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@]2(C)CCOC2)c1 ZINC000397123508 711375946 /nfs/dbraw/zinc/37/59/46/711375946.db2.gz OUDRNXOMPVLEBU-AWEZNQCLSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(N(C)C)CC2)c1 ZINC000397956876 711398223 /nfs/dbraw/zinc/39/82/23/711398223.db2.gz FRSNCBOIZZVLHO-LBPRGKRZSA-N 1 0 248.370 2.445 20 10 BECDRO C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)O1 ZINC000398101171 711400418 /nfs/dbraw/zinc/40/04/18/711400418.db2.gz XFQYKMHOKYEXDP-JOYOIKCWSA-N 1 0 239.290 2.188 20 10 BECDRO CN1CCC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000380920050 710594975 /nfs/dbraw/zinc/59/49/75/710594975.db2.gz CQHOSNOGHKIPBU-STQMWFEESA-N 1 0 246.354 2.063 20 10 BECDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(C)(C)O ZINC000381287914 710615976 /nfs/dbraw/zinc/61/59/76/710615976.db2.gz ZZDZJDKNPLUFAL-QMMMGPOBSA-N 1 0 243.734 2.295 20 10 BECDRO C/C=C/C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000384946317 711001173 /nfs/dbraw/zinc/00/11/73/711001173.db2.gz FNLGEKOUSKZDSZ-NSCUHMNNSA-N 1 0 246.354 2.189 20 10 BECDRO C[C@@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000386582335 711032536 /nfs/dbraw/zinc/03/25/36/711032536.db2.gz AHOYXCYSYXKCLS-SWLSCSKDSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1ccccc1O ZINC000392264675 711144588 /nfs/dbraw/zinc/14/45/88/711144588.db2.gz MDSSVECRKBKLMN-CYBMUJFWSA-N 1 0 246.354 2.305 20 10 BECDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)nn1 ZINC000396724868 711368707 /nfs/dbraw/zinc/36/87/07/711368707.db2.gz YDWGSTGTBBANRZ-LLVKDONJSA-N 1 0 243.310 2.341 20 10 BECDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2O)C[C@@H]1C[NH3+] ZINC000397322897 711380240 /nfs/dbraw/zinc/38/02/40/711380240.db2.gz TYSPKHNEKYQMHF-DYEKYZERSA-N 1 0 248.370 2.197 20 10 BECDRO COc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1O ZINC000397904233 711395934 /nfs/dbraw/zinc/39/59/34/711395934.db2.gz YUDWRCBJOBCNQE-ZSBIGDGJSA-N 1 0 233.311 2.289 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1O ZINC000724814393 711616530 /nfs/dbraw/zinc/61/65/30/711616530.db2.gz ONNJJAOVYQQHCC-OCCSQVGLSA-N 1 0 247.338 2.311 20 10 BECDRO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccccc1O ZINC000313305819 711716989 /nfs/dbraw/zinc/71/69/89/711716989.db2.gz SJEFMCQEYRXQGS-NSHDSACASA-N 1 0 245.326 2.019 20 10 BECDRO CC(C)[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000319629560 711765917 /nfs/dbraw/zinc/76/59/17/711765917.db2.gz ZHUPXCBKUFJYFD-LLVKDONJSA-N 1 0 206.333 2.445 20 10 BECDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2O)O1 ZINC000701511522 712025294 /nfs/dbraw/zinc/02/52/94/712025294.db2.gz JVRPZALHVGXULD-DGCLKSJQSA-N 1 0 235.327 2.439 20 10 BECDRO CCO[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000701662445 712026642 /nfs/dbraw/zinc/02/66/42/712026642.db2.gz PLPTYOHPVYNQAP-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(N)cc1 ZINC000706291401 712144136 /nfs/dbraw/zinc/14/41/36/712144136.db2.gz UZTHFLRSXYSUDT-QWRGUYRKSA-N 1 0 247.342 2.080 20 10 BECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CSC2)c1 ZINC000706493528 712147142 /nfs/dbraw/zinc/14/71/42/712147142.db2.gz HPNRUJPEQFRHIP-QMMMGPOBSA-N 1 0 239.340 2.167 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c(O)c1 ZINC000707702441 712176571 /nfs/dbraw/zinc/17/65/71/712176571.db2.gz ISKYKKIVZJQPOD-UTUOFQBUSA-N 1 0 235.327 2.122 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H](O)C2CCC2)c1O ZINC000709395916 712220794 /nfs/dbraw/zinc/22/07/94/712220794.db2.gz CCBFPFFEUAQIPF-AWEZNQCLSA-N 1 0 249.354 2.205 20 10 BECDRO CCOCCC[NH2+]Cc1cccc(CC)c1O ZINC000709420208 712221353 /nfs/dbraw/zinc/22/13/53/712221353.db2.gz XMKZCYDYLVWVOE-UHFFFAOYSA-N 1 0 237.343 2.471 20 10 BECDRO COc1cccc(C[NH2+]C[C@H]2C=CCC2)c1O ZINC000711778274 712328871 /nfs/dbraw/zinc/32/88/71/712328871.db2.gz PQBPHOCQFRHRKD-NSHDSACASA-N 1 0 233.311 2.457 20 10 BECDRO CC(C)[C@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000180741762 712386781 /nfs/dbraw/zinc/38/67/81/712386781.db2.gz JIRMIHPLPZFYID-CYBMUJFWSA-N 1 0 241.306 2.028 20 10 BECDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(F)ccc1O ZINC000379589848 712389709 /nfs/dbraw/zinc/38/97/09/712389709.db2.gz SDPJSRFOHXJCIN-SECBINFHSA-N 1 0 249.289 2.148 20 10 BECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCCO ZINC000390819169 712427807 /nfs/dbraw/zinc/42/78/07/712427807.db2.gz SMLDUBKQFUUCTG-UHFFFAOYSA-N 1 0 247.697 2.047 20 10 BECDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000712528451 712441052 /nfs/dbraw/zinc/44/10/52/712441052.db2.gz JEXIKLYRJIHKGI-OLZOCXBDSA-N 1 0 248.370 2.445 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000714604557 712488053 /nfs/dbraw/zinc/48/80/53/712488053.db2.gz LBWKUZVKFVBIMI-OTCDBFHCSA-N 1 0 239.290 2.046 20 10 BECDRO Cc1n[nH]c(C[NH2+]Cc2ccccc2O)c1C ZINC000716454330 712561854 /nfs/dbraw/zinc/56/18/54/712561854.db2.gz BAVSSTGUORECHX-UHFFFAOYSA-N 1 0 231.299 2.022 20 10 BECDRO Cc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)[nH]n1 ZINC000716456119 712562521 /nfs/dbraw/zinc/56/25/21/712562521.db2.gz HLKABWMZNJRGHH-GFCCVEGCSA-N 1 0 243.310 2.201 20 10 BECDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccccc1O ZINC000717603445 712662046 /nfs/dbraw/zinc/66/20/46/712662046.db2.gz IDXYJAZJAICCAK-MFKMUULPSA-N 1 0 235.327 2.204 20 10 BECDRO OC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCC1 ZINC000717617517 712662842 /nfs/dbraw/zinc/66/28/42/712662842.db2.gz ZSVPGEGCCYPXSB-STQMWFEESA-N 1 0 247.338 2.130 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1O ZINC000384933186 712705405 /nfs/dbraw/zinc/70/54/05/712705405.db2.gz SRZRKOXLQCHDJZ-NTZNESFSSA-N 1 0 235.327 2.356 20 10 BECDRO CC(C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879186 712720705 /nfs/dbraw/zinc/72/07/05/712720705.db2.gz DPVYFVABSZXCHB-UHFFFAOYSA-N 1 0 237.299 2.257 20 10 BECDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)N(C)C ZINC000038088618 712806824 /nfs/dbraw/zinc/80/68/24/712806824.db2.gz FJXYKMTYLSCNRA-SECBINFHSA-N 1 0 242.750 2.085 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2CCN(C)[C@H]2C)c1O ZINC000719647120 712819833 /nfs/dbraw/zinc/81/98/33/712819833.db2.gz ZBZHKFVLTIDMTJ-FZMZJTMJSA-N 1 0 248.370 2.137 20 10 BECDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccccc1O ZINC000719647009 712819907 /nfs/dbraw/zinc/81/99/07/712819907.db2.gz MMVLGYCQMHYDBL-LOWVWBTDSA-N 1 0 234.343 2.135 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]2C)c1O ZINC000719647122 712820346 /nfs/dbraw/zinc/82/03/46/712820346.db2.gz ZBZHKFVLTIDMTJ-SMDDNHRTSA-N 1 0 248.370 2.137 20 10 BECDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000720154601 712828454 /nfs/dbraw/zinc/82/84/54/712828454.db2.gz CQHZPYXWYCQKEI-SECBINFHSA-N 1 0 241.306 2.434 20 10 BECDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CCO1 ZINC000720481243 712846611 /nfs/dbraw/zinc/84/66/11/712846611.db2.gz GTJFJLMHEOFBHX-NSHDSACASA-N 1 0 221.300 2.003 20 10 BECDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000720485463 712846996 /nfs/dbraw/zinc/84/69/96/712846996.db2.gz VGOQUWHJKYKXCY-JTQLQIEISA-N 1 0 239.290 2.142 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CC(OC(C)C)C2)c1 ZINC001140623906 960465935 /nfs/dbraw/zinc/46/59/35/960465935.db2.gz WQLWUFKYSIOYHU-UHFFFAOYSA-N 1 0 235.327 2.310 20 10 BECDRO Oc1ccc(C[NH+]2CCC(F)CC2)cc1O ZINC001203875497 966804653 /nfs/dbraw/zinc/80/46/53/966804653.db2.gz NTIWJFKZBXKKCC-UHFFFAOYSA-N 1 0 225.263 2.032 20 10 BECDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077429999 1166054122 /nfs/dbraw/zinc/05/41/22/1166054122.db2.gz INLWSIHJEKHMTO-NWDGAFQWSA-N 1 0 249.354 2.118 20 10 BECDRO CCC(CC)[NH2+]Cc1cccc(O)c1O ZINC000042290226 1166617159 /nfs/dbraw/zinc/61/71/59/1166617159.db2.gz PHXJMNCQIGGXCR-UHFFFAOYSA-N 1 0 209.289 2.376 20 10 BECDRO COc1ccc(O)c(C[NH2+]CCC(F)F)c1 ZINC000381507242 1166937518 /nfs/dbraw/zinc/93/75/18/1166937518.db2.gz FIOHFCNMHMHYPX-UHFFFAOYSA-N 1 0 231.242 2.146 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c1O ZINC001231590729 1167661148 /nfs/dbraw/zinc/66/11/48/1167661148.db2.gz GAYGXLIORJGJMP-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCC[C@](C)(O)C2)c(O)c1 ZINC001231847390 1167665483 /nfs/dbraw/zinc/66/54/83/1167665483.db2.gz YGXRUGXLAOWHMM-HNNXBMFYSA-N 1 0 249.354 2.356 20 10 BECDRO CCc1ccc(C[N@H+](C)CC2COC2)c(O)c1 ZINC001236794831 979741414 /nfs/dbraw/zinc/74/14/14/979741414.db2.gz PPWLXYJHMJEQEI-UHFFFAOYSA-N 1 0 235.327 2.033 20 10 BECDRO CCc1cccc(C[NH2+]CC2=CCCOC2)c1O ZINC000691451506 1168504880 /nfs/dbraw/zinc/50/48/80/1168504880.db2.gz IUSYRWAMDBZORF-UHFFFAOYSA-N 1 0 247.338 2.391 20 10 BECDRO CN1CCCc2cc(C[NH+]3CC=CC3)ccc21 ZINC001138354326 1169353475 /nfs/dbraw/zinc/35/34/75/1169353475.db2.gz FJWKRBUJFBTHKW-UHFFFAOYSA-N 1 0 228.339 2.441 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CO1 ZINC000402217287 970768769 /nfs/dbraw/zinc/76/87/69/970768769.db2.gz MVGZYIMWAYNHAS-KCJUWKMLSA-N 1 0 241.718 2.313 20 10 BECDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CO[C@H]1C ZINC000405604877 971283046 /nfs/dbraw/zinc/28/30/46/971283046.db2.gz OFLFREYMMPDMTE-HUBLWGQQSA-N 1 0 248.370 2.266 20 10 BECDRO CC1(C)C[C@H](OCc2ccc(N)cc2)CC[NH2+]1 ZINC001217935463 971538162 /nfs/dbraw/zinc/53/81/62/971538162.db2.gz CNIKMZGGZMVIIR-CYBMUJFWSA-N 1 0 234.343 2.316 20 10 BECDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(N)cc1 ZINC001218029150 971578843 /nfs/dbraw/zinc/57/88/43/971578843.db2.gz ZHWYQPUNVFBQTB-GXFFZTMASA-N 1 0 220.316 2.036 20 10 BECDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccccc1O ZINC000402111342 956974109 /nfs/dbraw/zinc/97/41/09/956974109.db2.gz DKSBWWKKRHBTNM-GMTAPVOTSA-N 1 0 221.300 2.220 20 10 BECDRO COc1ccc(C[NH2+]C[C@H](O)C2CCC2)cc1C ZINC000316732760 972293053 /nfs/dbraw/zinc/29/30/53/972293053.db2.gz JNEKMJDNRHMKCH-AWEZNQCLSA-N 1 0 249.354 2.254 20 10 BECDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccncn2)c1 ZINC001140624219 959223957 /nfs/dbraw/zinc/22/39/57/959223957.db2.gz LOFVUCGCQCKXIX-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO C[C@@H]1C[NH2+]CCC[C@H]1OCc1ccc(N)cc1 ZINC001217779573 959591338 /nfs/dbraw/zinc/59/13/38/959591338.db2.gz NUXVRFQZDRZMAF-BXUZGUMPSA-N 1 0 234.343 2.174 20 10 BECDRO C[C@H]1C[NH2+]CCC[C@H]1OCc1ccc(N)cc1 ZINC001217779605 959592693 /nfs/dbraw/zinc/59/26/93/959592693.db2.gz NUXVRFQZDRZMAF-SMDDNHRTSA-N 1 0 234.343 2.174 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724813892 959686055 /nfs/dbraw/zinc/68/60/55/959686055.db2.gz HWKSNURYTFCKSR-TZMCWYRMSA-N 1 0 233.311 2.003 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1O ZINC000690789008 959839411 /nfs/dbraw/zinc/83/94/11/959839411.db2.gz HIOCNSHJCLNYGJ-KGLIPLIRSA-N 1 0 247.338 2.169 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001141161452 960415915 /nfs/dbraw/zinc/41/59/15/960415915.db2.gz ROPDMLCVPKJXJE-GXSJLCMTSA-N 1 0 219.284 2.082 20 10 BECDRO COc1cccc(C[NH2+]CCc2ccoc2)c1O ZINC000692679535 960426988 /nfs/dbraw/zinc/42/69/88/960426988.db2.gz ORRZVAIETXSVCP-UHFFFAOYSA-N 1 0 247.294 2.326 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c1 ZINC001140619368 960459588 /nfs/dbraw/zinc/45/95/88/960459588.db2.gz BVTRCICTEVFFHX-SWLSCSKDSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001140619532 960460115 /nfs/dbraw/zinc/46/01/15/960460115.db2.gz GSAXZWYOZSTRIZ-DOMZBBRYSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CCC3(COC3)CC2)c1 ZINC001140617688 960460233 /nfs/dbraw/zinc/46/02/33/960460233.db2.gz XKTUWBRLPYZDGE-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1 ZINC001140619691 960462838 /nfs/dbraw/zinc/46/28/38/960462838.db2.gz KTKVOQHTHRHVAI-HNNXBMFYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001140623149 960465414 /nfs/dbraw/zinc/46/54/14/960465414.db2.gz HDBSEXGIUWIUQT-AWEZNQCLSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1c(O)ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001140742493 960546631 /nfs/dbraw/zinc/54/66/31/960546631.db2.gz PNCWOCLOQHXNEI-KCJUWKMLSA-N 1 0 239.290 2.339 20 10 BECDRO Cc1c(O)ccc(C[NH+]2CC(C(F)F)C2)c1O ZINC001140751106 960553151 /nfs/dbraw/zinc/55/31/51/960553151.db2.gz JMDNJJSXLXLOHG-UHFFFAOYSA-N 1 0 243.253 2.103 20 10 BECDRO CN(C)c1ccc(C[NH+](C)C)c(Cl)c1 ZINC001140921366 960688360 /nfs/dbraw/zinc/68/83/60/960688360.db2.gz CGFIQNTZRQVXLP-UHFFFAOYSA-N 1 0 212.724 2.468 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c(O)c1 ZINC001140948074 960739760 /nfs/dbraw/zinc/73/97/60/960739760.db2.gz RTKPHWCMESFYQO-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001140947843 960740590 /nfs/dbraw/zinc/74/05/90/960740590.db2.gz HWGKWWKANHMQNY-RWMBFGLXSA-N 1 0 235.302 2.490 20 10 BECDRO CCC[N@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141031731 960824140 /nfs/dbraw/zinc/82/41/40/960824140.db2.gz JABHSAHDKZNROI-UHFFFAOYSA-N 1 0 239.315 2.251 20 10 BECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]2C)c(OC)c1 ZINC001141032238 960825772 /nfs/dbraw/zinc/82/57/72/960825772.db2.gz WVBIGOJIKYHNNC-VIFPVBQESA-N 1 0 237.299 2.004 20 10 BECDRO Cc1ncoc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001141053738 960844905 /nfs/dbraw/zinc/84/49/05/960844905.db2.gz OBFPHHGYAPKBEL-UHFFFAOYSA-N 1 0 244.294 2.247 20 10 BECDRO CN1CCOc2cc(C[NH+]3CCCC3)ccc21 ZINC001141138887 960884234 /nfs/dbraw/zinc/88/42/34/960884234.db2.gz BUHZBMINQOEJAK-UHFFFAOYSA-N 1 0 232.327 2.111 20 10 BECDRO Oc1ccc(O)c(C[NH+]2CC3(C2)CCCC3)c1 ZINC001141156870 960890022 /nfs/dbraw/zinc/89/00/22/960890022.db2.gz VZLUUZLMBUSSIO-UHFFFAOYSA-N 1 0 233.311 2.474 20 10 BECDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141156076 960892489 /nfs/dbraw/zinc/89/24/89/960892489.db2.gz DTPQJVNMAWUJSD-SCZZXKLOSA-N 1 0 225.263 2.030 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001141156795 960894910 /nfs/dbraw/zinc/89/49/10/960894910.db2.gz VGVMCJGWKMSFNT-LLVKDONJSA-N 1 0 239.290 2.422 20 10 BECDRO Nc1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC000711499341 962720719 /nfs/dbraw/zinc/72/07/19/962720719.db2.gz RONKHGOAINIMDL-GFCCVEGCSA-N 1 0 222.307 2.450 20 10 BECDRO Cc1c(CN2CC(C)([NH3+])C2)c2ccccc2n1C ZINC001204972980 963185098 /nfs/dbraw/zinc/18/50/98/963185098.db2.gz AFEALDYAZRBKBN-UHFFFAOYSA-N 1 0 243.354 2.020 20 10 BECDRO C[C@H]1C[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CCO1 ZINC001168137189 963835883 /nfs/dbraw/zinc/83/58/83/963835883.db2.gz NLRXHBYLRYISJI-AAEUAGOBSA-N 1 0 247.338 2.318 20 10 BECDRO Nc1ccc(Nc2cc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC001159305451 964056402 /nfs/dbraw/zinc/05/64/02/964056402.db2.gz PBDVKXPSIFBZCA-NSHDSACASA-N 1 0 244.298 2.425 20 10 BECDRO Cc1cccc(CNc2cccc(N)[nH+]2)c1O ZINC001160769305 964408155 /nfs/dbraw/zinc/40/81/55/964408155.db2.gz KMQSCRVVNLMBRK-UHFFFAOYSA-N 1 0 229.283 2.290 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2)c(O)c1 ZINC000042545126 964825956 /nfs/dbraw/zinc/82/59/56/964825956.db2.gz AQDJKZBSGSBENA-RYUDHWBXSA-N 1 0 234.343 2.055 20 10 BECDRO Cc1c[nH+]c(NCc2ccc(N)cc2)cc1N ZINC001162787640 965169348 /nfs/dbraw/zinc/16/93/48/965169348.db2.gz PBAYGDUHANHZDH-UHFFFAOYSA-N 1 0 228.299 2.167 20 10 BECDRO CCC(CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001257287033 1169862545 /nfs/dbraw/zinc/86/25/45/1169862545.db2.gz KOSUFVILFIKKEJ-UHFFFAOYSA-N 1 0 239.315 2.124 20 10 BECDRO Cc1csc(CC[NH2+]Cc2ccccc2O)n1 ZINC000060942051 965310067 /nfs/dbraw/zinc/31/00/67/965310067.db2.gz LSYSWNLHJXMSPH-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2[C@@H](C)CC[C@H]2CN)c1O ZINC001205069043 965425578 /nfs/dbraw/zinc/42/55/78/965425578.db2.gz SJHMFGSGMTWWHX-STQMWFEESA-N 1 0 248.370 2.321 20 10 BECDRO CCc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(O)c1 ZINC001236784058 966532320 /nfs/dbraw/zinc/53/23/20/966532320.db2.gz RROHMQHVZIQSFL-RISCZKNCSA-N 1 0 249.354 2.300 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001237492955 966665544 /nfs/dbraw/zinc/66/55/44/966665544.db2.gz UVAPHBGRKZJPQL-CQSZACIVSA-N 1 0 247.338 2.311 20 10 BECDRO COc1ccc(C[N@@H+]2CCC3(CC3)C2)c(O)c1 ZINC001203622087 966710936 /nfs/dbraw/zinc/71/09/36/966710936.db2.gz ODWDSQRFCPGIMG-UHFFFAOYSA-N 1 0 233.311 2.387 20 10 BECDRO COc1ccc(C[NH+]2CC(C)(C)C2)c(O)c1 ZINC001203621472 966711707 /nfs/dbraw/zinc/71/17/07/966711707.db2.gz VREDOMLYTJZAPA-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO Oc1ccccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000691301116 966787556 /nfs/dbraw/zinc/78/75/56/966787556.db2.gz CQGGGMKLBNCMJU-TZMCWYRMSA-N 1 0 233.311 2.049 20 10 BECDRO CC1(F)CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203875677 966804678 /nfs/dbraw/zinc/80/46/78/966804678.db2.gz SKJCWJUNFPTVRR-UHFFFAOYSA-N 1 0 239.290 2.422 20 10 BECDRO C[N@@H+](Cc1ccc(O)c(O)c1)CC1CCC1 ZINC001203882710 966808898 /nfs/dbraw/zinc/80/88/98/966808898.db2.gz SCQPMHRGOVQGBM-UHFFFAOYSA-N 1 0 221.300 2.330 20 10 BECDRO C[C@H]1CC(=O)CCN1Cc1ccc(N(C)C)cc1 ZINC001203929975 966825597 /nfs/dbraw/zinc/82/55/97/966825597.db2.gz MIWDHVALHRGRNX-LBPRGKRZSA-N 1 0 246.354 2.306 20 10 BECDRO Oc1ccccc1C[NH+]1CC2(CCC2)C1 ZINC001203550130 966931901 /nfs/dbraw/zinc/93/19/01/966931901.db2.gz IXIFZLMYZQYMMC-UHFFFAOYSA-N 1 0 203.285 2.378 20 10 BECDRO CC1(C)CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204272772 966951210 /nfs/dbraw/zinc/95/12/10/966951210.db2.gz RMXFWRLYMJYNAG-UHFFFAOYSA-N 1 0 221.300 2.472 20 10 BECDRO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204281873 966961162 /nfs/dbraw/zinc/96/11/62/966961162.db2.gz YNGOJXAHOXFGRI-CYBMUJFWSA-N 1 0 249.310 2.041 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(O)c1 ZINC001204277373 966961273 /nfs/dbraw/zinc/96/12/73/966961273.db2.gz BPGINAODCMONHF-SKDRFNHKSA-N 1 0 219.284 2.082 20 10 BECDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204281874 966961454 /nfs/dbraw/zinc/96/14/54/966961454.db2.gz YNGOJXAHOXFGRI-ZDUSSCGKSA-N 1 0 249.310 2.041 20 10 BECDRO COc1cc(C[N@@H+]2CCC3(CC3)C2)cc(O)c1O ZINC001204347875 966976853 /nfs/dbraw/zinc/97/68/53/966976853.db2.gz ZNZZMWSZBFRSNY-UHFFFAOYSA-N 1 0 249.310 2.092 20 10 BECDRO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001203556991 966977515 /nfs/dbraw/zinc/97/75/15/966977515.db2.gz XYGIDFBQMXVLAV-BETUJISGSA-N 1 0 245.322 2.478 20 10 BECDRO CC[N@H+](Cc1cncn1C)Cc1ccccc1O ZINC001204386418 966988066 /nfs/dbraw/zinc/98/80/66/966988066.db2.gz BJSSWRAPIHPVPO-UHFFFAOYSA-N 1 0 245.326 2.148 20 10 BECDRO Cc1nc[nH]c1C[N@@H+](C)Cc1ccccc1O ZINC001204592211 967092999 /nfs/dbraw/zinc/09/29/99/967092999.db2.gz LJMQADZJTXEOSI-UHFFFAOYSA-N 1 0 231.299 2.056 20 10 BECDRO CC(C)c1ccc(CN2CCC[NH2+]CC2)c(O)c1 ZINC001204685024 967132512 /nfs/dbraw/zinc/13/25/12/967132512.db2.gz SGNXFXRETLUXSH-UHFFFAOYSA-N 1 0 248.370 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)c(O)c1 ZINC001205076838 967324638 /nfs/dbraw/zinc/32/46/38/967324638.db2.gz XEADFQLARNAMMN-AAEUAGOBSA-N 1 0 234.343 2.012 20 10 BECDRO Cn1ccc2ccc(CC[NH+](C)C)cc21 ZINC001250158468 967448673 /nfs/dbraw/zinc/44/86/73/967448673.db2.gz VAIAGVGCAHILIM-UHFFFAOYSA-N 1 0 202.301 2.282 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CO1 ZINC000922213417 967603555 /nfs/dbraw/zinc/60/35/55/967603555.db2.gz AMSMLYYROGUFOX-BXUZGUMPSA-N 1 0 247.338 2.279 20 10 BECDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000694397427 967815684 /nfs/dbraw/zinc/81/56/84/967815684.db2.gz YYAUSNGRKDKKKJ-WQAKAFBOSA-N 1 0 221.300 2.220 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC2CSC2)c1 ZINC000697979831 968049323 /nfs/dbraw/zinc/04/93/23/968049323.db2.gz ZKJFQWUFDYFXCT-UHFFFAOYSA-N 1 0 223.341 2.153 20 10 BECDRO COc1ccc(O)c(C[N@H+](C)CCSC)c1 ZINC000180320368 968492911 /nfs/dbraw/zinc/49/29/11/968492911.db2.gz JBWUIXFBPJBCEO-UHFFFAOYSA-N 1 0 241.356 2.196 20 10 BECDRO C[N@H+](Cc1ccccc1O)Cc1ccc[nH]c1=O ZINC001207008843 968544599 /nfs/dbraw/zinc/54/45/99/968544599.db2.gz MZLDSJONOCGZQK-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO CCCC[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252093936 968572628 /nfs/dbraw/zinc/57/26/28/968572628.db2.gz KQRDYWZJIOHDAY-ZDUSSCGKSA-N 1 0 249.354 2.301 20 10 BECDRO C[N@H+](Cc1cc[nH]c(=O)c1)Cc1ccccc1O ZINC001207123675 968644069 /nfs/dbraw/zinc/64/40/69/968644069.db2.gz WTTXHXFBPVOPLA-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1O ZINC000691409251 968644145 /nfs/dbraw/zinc/64/41/45/968644145.db2.gz BWHUEHNHPVGANS-KGLIPLIRSA-N 1 0 247.338 2.358 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC001207662775 968855508 /nfs/dbraw/zinc/85/55/08/968855508.db2.gz WBYDIJWAYXEGBS-XHDPSFHLSA-N 1 0 249.354 2.328 20 10 BECDRO O=C1C[C@H]2C[C@H]([NH2+]Cc3ccccc3O)C[C@H]2C1 ZINC001254921729 969821687 /nfs/dbraw/zinc/82/16/87/969821687.db2.gz GHBBFUJJKFRFLH-ITGUQSILSA-N 1 0 245.322 2.240 20 10 BECDRO CCc1cccc(C[NH2+][C@@]2(C)CCOC2)c1O ZINC000691494859 970032254 /nfs/dbraw/zinc/03/22/54/970032254.db2.gz PRZUMCKNAHAJRS-AWEZNQCLSA-N 1 0 235.327 2.223 20 10 BECDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000304068935 970550065 /nfs/dbraw/zinc/55/00/65/970550065.db2.gz UVDRZHUWBATOEY-SMDDNHRTSA-N 1 0 249.354 2.118 20 10 BECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CO1 ZINC000401822497 970734986 /nfs/dbraw/zinc/73/49/86/970734986.db2.gz FEVMILJOSCLILR-AAEUAGOBSA-N 1 0 234.343 2.020 20 10 BECDRO CC1(C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500347 972848866 /nfs/dbraw/zinc/84/88/66/972848866.db2.gz SGRPGWXIQWCTIL-UHFFFAOYSA-N 1 0 237.299 2.178 20 10 BECDRO CC[C@H](C)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144503763 972849996 /nfs/dbraw/zinc/84/99/96/972849996.db2.gz CEMPRJDYEDLODR-QMMMGPOBSA-N 1 0 225.288 2.034 20 10 BECDRO CC(C)(C)[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC000042461223 973051118 /nfs/dbraw/zinc/05/11/18/973051118.db2.gz FKCYUANXJXHAPS-UHFFFAOYSA-N 1 0 247.386 2.185 20 10 BECDRO CCOc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001276926820 973309307 /nfs/dbraw/zinc/30/93/07/973309307.db2.gz YMNNRXWBTKTMBC-OKILXGFUSA-N 1 0 246.354 2.368 20 10 BECDRO Cc1cccc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)c1O ZINC001172237768 974498896 /nfs/dbraw/zinc/49/88/96/974498896.db2.gz YLBQARZOLHQZIP-AGUYFDCRSA-N 1 0 245.322 2.276 20 10 BECDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC001331074197 974585842 /nfs/dbraw/zinc/58/58/42/974585842.db2.gz ALWCKANFOLSFGU-CHWSQXEVSA-N 1 0 235.327 2.358 20 10 BECDRO C[C@H](C[NH+](C)C)Oc1ccc(N(C)C)cc1 ZINC001227938809 975800877 /nfs/dbraw/zinc/80/08/77/975800877.db2.gz FLFRAVVCSPUQEB-LLVKDONJSA-N 1 0 222.332 2.082 20 10 BECDRO Oc1c(F)cc(F)cc1Nc1cc[nH+]cc1 ZINC001173884683 975971850 /nfs/dbraw/zinc/97/18/50/975971850.db2.gz WIMYFKMEWJRYPC-UHFFFAOYSA-N 1 0 222.194 2.231 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001333781073 976077755 /nfs/dbraw/zinc/07/77/55/976077755.db2.gz RBSDACJBJZPFQP-QKCSRTOESA-N 1 0 233.311 2.110 20 10 BECDRO COc1ccc(O)c(Nc2cc[nH+]c(C)c2)c1 ZINC001174655626 976946740 /nfs/dbraw/zinc/94/67/40/976946740.db2.gz MBCFQZYXTCUMPE-UHFFFAOYSA-N 1 0 230.267 2.270 20 10 BECDRO COc1cccc(O)c1Nc1cc[nH+]c(C)c1 ZINC001174656068 976947194 /nfs/dbraw/zinc/94/71/94/976947194.db2.gz FJXQNNYIUHIVMH-UHFFFAOYSA-N 1 0 230.267 2.270 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c1O ZINC001231590595 977638636 /nfs/dbraw/zinc/63/86/36/977638636.db2.gz BQWQCLRGMRABNQ-WFASDCNBSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCC[C@H](O)C2)c1O ZINC001231591274 977644700 /nfs/dbraw/zinc/64/47/00/977644700.db2.gz YNBYPYXSRLUXCF-ZDUSSCGKSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cc(C)c(C[N@@H+](C)[C@H]2CCOC2)c(O)c1 ZINC001231845614 977759898 /nfs/dbraw/zinc/75/98/98/977759898.db2.gz CYVWGMMWOVJRKJ-LBPRGKRZSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(C[NH+]2CCC(CO)CC2)c(O)c1 ZINC001231844811 977760119 /nfs/dbraw/zinc/76/01/19/977760119.db2.gz ROUHQINFHLEHPD-UHFFFAOYSA-N 1 0 249.354 2.213 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CCCN(C)CC2)c(O)c1 ZINC001231842343 977760132 /nfs/dbraw/zinc/76/01/32/977760132.db2.gz QCGQYPIMZPUUMC-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCO[C@H](C)C2)c(O)c1 ZINC001231842794 977761826 /nfs/dbraw/zinc/76/18/26/977761826.db2.gz PWPOWPHWILSKMP-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC001231842891 977762539 /nfs/dbraw/zinc/76/25/39/977762539.db2.gz QEEWBSCLUGSAMD-CYBMUJFWSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c(O)c1 ZINC001231842125 977763991 /nfs/dbraw/zinc/76/39/91/977763991.db2.gz JZOIVLCZIIGCGU-IAQYHMDHSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CCOC[C@@H](C)C2)c(O)c1 ZINC001231843225 977765044 /nfs/dbraw/zinc/76/50/44/977765044.db2.gz SVZWJQAOCACCQI-LBPRGKRZSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCN(C)[C@H](C)C2)c(O)c1 ZINC001231846880 977765429 /nfs/dbraw/zinc/76/54/29/977765429.db2.gz SADWOJCKCIZXRB-CYBMUJFWSA-N 1 0 248.370 2.145 20 10 BECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]1C ZINC001231849219 977768902 /nfs/dbraw/zinc/76/89/02/977768902.db2.gz OVJUJBHJIABZTN-NSHDSACASA-N 1 0 234.343 2.355 20 10 BECDRO CO[C@@H](C)C1C[NH+](Cc2c(C)cc(C)cc2O)C1 ZINC001231850910 977770262 /nfs/dbraw/zinc/77/02/62/977770262.db2.gz WHRMIXBDGWNWAA-LBPRGKRZSA-N 1 0 249.354 2.476 20 10 BECDRO CC1CC([N@H+](C)Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010072 978407578 /nfs/dbraw/zinc/40/75/78/978407578.db2.gz JXXAHBHQJYLXAO-UHFFFAOYSA-N 1 0 237.299 2.034 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CCc1ccc(C[N@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC001236794869 979740337 /nfs/dbraw/zinc/74/03/37/979740337.db2.gz QLFCSMZYDFVZOJ-CYBMUJFWSA-N 1 0 235.327 2.175 20 10 BECDRO COc1cc(C)c(C[N@H+](C)CCF)c(O)c1 ZINC001236813063 979743940 /nfs/dbraw/zinc/74/39/40/979743940.db2.gz FTIXGWIRMCMMMP-UHFFFAOYSA-N 1 0 227.279 2.111 20 10 BECDRO CC[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236819657 979748236 /nfs/dbraw/zinc/74/82/36/979748236.db2.gz YQNXERPCWXKXSJ-UHFFFAOYSA-N 1 0 209.289 2.161 20 10 BECDRO COc1cc(C)c(C[N@H+](C)C2CC2)c(O)c1 ZINC001236819126 979749316 /nfs/dbraw/zinc/74/93/16/979749316.db2.gz UIDRWKIDBJBMBJ-UHFFFAOYSA-N 1 0 221.300 2.303 20 10 BECDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]12 ZINC001203561987 979794432 /nfs/dbraw/zinc/79/44/32/979794432.db2.gz AIXHIHUOTBTOQK-WCQYABFASA-N 1 0 245.322 2.193 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(O)c1 ZINC001237044118 979807359 /nfs/dbraw/zinc/80/73/59/979807359.db2.gz ARHKQKPUEXXVKR-RISCZKNCSA-N 1 0 249.354 2.471 20 10 BECDRO CC(C)c1ccc(C[NH+]2CC(C)(CO)C2)c(O)c1 ZINC001237045418 979808290 /nfs/dbraw/zinc/80/82/90/979808290.db2.gz KLIRORIYTKQEAB-UHFFFAOYSA-N 1 0 249.354 2.330 20 10 BECDRO CC(C)c1ccc(C[NH+]2CC3(COC3)C2)c(O)c1 ZINC001237046634 979808506 /nfs/dbraw/zinc/80/85/06/979808506.db2.gz UIURRWNXSQEQLD-UHFFFAOYSA-N 1 0 247.338 2.348 20 10 BECDRO CCOc1ccc(C[NH+]2CC=CC2)c(O)c1 ZINC001237043688 979808587 /nfs/dbraw/zinc/80/85/87/979808587.db2.gz JCFKYXYWZPNGDG-UHFFFAOYSA-N 1 0 219.284 2.163 20 10 BECDRO Nc1ccc(C[N@@H+]2CCNC3=CCCC[C@@H]32)cc1 ZINC001237228017 979856441 /nfs/dbraw/zinc/85/64/41/979856441.db2.gz HQMLNAVCDNKKSY-HNNXBMFYSA-N 1 0 243.354 2.110 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001237486259 979912069 /nfs/dbraw/zinc/91/20/69/979912069.db2.gz ZTXBMPHUQZCKBY-LLVKDONJSA-N 1 0 233.311 2.112 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]12CCOC2 ZINC001237495326 979914267 /nfs/dbraw/zinc/91/42/67/979914267.db2.gz PPOKQPVVEBAIJU-AWEZNQCLSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001237492946 979914976 /nfs/dbraw/zinc/91/49/76/979914976.db2.gz UVAPHBGRKZJPQL-AWEZNQCLSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccncn1 ZINC001237494627 979916415 /nfs/dbraw/zinc/91/64/15/979916415.db2.gz JXJCAJKMRWUZHO-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO CCO[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237491144 979917606 /nfs/dbraw/zinc/91/76/06/979917606.db2.gz HNHJAINRCUSTIG-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237493413 979918591 /nfs/dbraw/zinc/91/85/91/979918591.db2.gz YFPFYLWUZJWOLQ-IUODEOHRSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001237494150 979918964 /nfs/dbraw/zinc/91/89/64/979918964.db2.gz FKHADAHGNLRZLZ-VXGBXAGGSA-N 1 0 233.311 2.064 20 10 BECDRO CSCC[N@H+](C)Cc1c(C)cccc1O ZINC001237495538 979923101 /nfs/dbraw/zinc/92/31/01/979923101.db2.gz RIYCMSKJKCARJB-UHFFFAOYSA-N 1 0 225.357 2.495 20 10 BECDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c1O ZINC001203584849 979973683 /nfs/dbraw/zinc/97/36/83/979973683.db2.gz HRZBFYGSNOBCPD-KOLCDFICSA-N 1 0 239.290 2.191 20 10 BECDRO COC[C@H]1CC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238066305 980138182 /nfs/dbraw/zinc/13/81/82/980138182.db2.gz MAIAYJAGMFTFJW-GFCCVEGCSA-N 1 0 239.290 2.060 20 10 BECDRO [NH3+]CCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001345105923 980550863 /nfs/dbraw/zinc/55/08/63/980550863.db2.gz VAMQRBRJDMICQW-UHFFFAOYSA-N 1 0 246.713 2.013 20 10 BECDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001345159140 980568797 /nfs/dbraw/zinc/56/87/97/980568797.db2.gz CGAKNCHCOIEKKR-AWEZNQCLSA-N 1 0 234.343 2.006 20 10 BECDRO Cn1ccc2c1ccnc2-c1cncc(C[NH3+])c1 ZINC001239787446 980921952 /nfs/dbraw/zinc/92/19/52/980921952.db2.gz ZHODXYBWYABKSP-UHFFFAOYSA-N 1 0 238.294 2.094 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H](C)CN ZINC001348852840 981459224 /nfs/dbraw/zinc/45/92/24/981459224.db2.gz QCAPTHDKOBVPQG-GARJFASQSA-N 1 0 234.343 2.186 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@H]2CN)c1 ZINC001205831648 982677072 /nfs/dbraw/zinc/67/70/72/982677072.db2.gz YFWXFXZVJOEKDF-OCCSQVGLSA-N 1 0 248.370 2.260 20 10 BECDRO CN(C)c1ccc(C[NH+]2CC=CC2)cc1 ZINC001203929854 982894767 /nfs/dbraw/zinc/89/47/67/982894767.db2.gz HNTQWDNLDCDCRA-UHFFFAOYSA-N 1 0 202.301 2.124 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc(N)cc1)C1CCOCC1 ZINC001356083419 983571257 /nfs/dbraw/zinc/57/12/57/983571257.db2.gz PHFOHSIZPLTLQS-LLVKDONJSA-N 1 0 234.343 2.174 20 10 BECDRO Oc1cccc2c1C[N@H+](CC1CCOCC1)CC2 ZINC001202598623 984102914 /nfs/dbraw/zinc/10/29/14/984102914.db2.gz PQTXYFADNMAYFU-UHFFFAOYSA-N 1 0 247.338 2.177 20 10 BECDRO Cc1cc(C2=CC[NH2+]C2)cc(C)c1N(C)C ZINC001243110594 984570361 /nfs/dbraw/zinc/57/03/61/984570361.db2.gz JEGQVGNJDPPMGF-UHFFFAOYSA-N 1 0 216.328 2.356 20 10 BECDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2O)[C@@H](C)O1 ZINC000686515627 985127770 /nfs/dbraw/zinc/12/77/70/985127770.db2.gz UFHCTCKLYODDPQ-NQBHXWOUSA-N 1 0 235.327 2.295 20 10 BECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CO1 ZINC000688488547 985659756 /nfs/dbraw/zinc/65/97/56/985659756.db2.gz QHFRRIVCBVTJGE-ZIAGYGMSSA-N 1 0 247.338 2.279 20 10 BECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CO1 ZINC000688488546 985660607 /nfs/dbraw/zinc/66/06/07/985660607.db2.gz QHFRRIVCBVTJGE-UONOGXRCSA-N 1 0 247.338 2.279 20 10 BECDRO c1cc(N2CCOCC2)ccc1C1=C[NH2+]CCC1 ZINC001243952219 985661185 /nfs/dbraw/zinc/66/11/85/985661185.db2.gz HLXRWCGXANDDNS-UHFFFAOYSA-N 1 0 244.338 2.248 20 10 BECDRO C[C@H](NCC[NH2+]C(C)(C)C)c1ccccc1O ZINC001579485817 986012121 /nfs/dbraw/zinc/01/21/21/986012121.db2.gz RHQCFIDLJBWDJH-NSHDSACASA-N 1 0 236.359 2.431 20 10 BECDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CSC1 ZINC000702031682 986860138 /nfs/dbraw/zinc/86/01/38/986860138.db2.gz ZNTAKEUTKMGTCH-UHFFFAOYSA-N 1 0 248.395 2.492 20 10 BECDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(C)C1 ZINC001255492411 986991676 /nfs/dbraw/zinc/99/16/76/986991676.db2.gz DDNDQOSEXZBBGK-CQSZACIVSA-N 1 0 248.370 2.308 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1(CO)CC1 ZINC000696129672 987337416 /nfs/dbraw/zinc/33/74/16/987337416.db2.gz BZERZOXJZYFNQO-PWSUYJOCSA-N 1 0 247.338 2.130 20 10 BECDRO Cc1cc(C)c(CN[C@H]2CC[C@@H](C)[NH2+]C2)c(O)c1 ZINC001246344782 987753858 /nfs/dbraw/zinc/75/38/58/987753858.db2.gz SKSPSGCMNFKUPK-OLZOCXBDSA-N 1 0 248.370 2.239 20 10 BECDRO CCN(Cc1ccccc1O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246858068 988587534 /nfs/dbraw/zinc/58/75/34/988587534.db2.gz AOSLJIYKZOJPMS-OCCSQVGLSA-N 1 0 248.370 2.355 20 10 BECDRO CC1([NH2+]Cc2ccc(N3CCCC3)cc2)COC1 ZINC001119246674 988863005 /nfs/dbraw/zinc/86/30/05/988863005.db2.gz BWBIDETUBSQBDL-UHFFFAOYSA-N 1 0 246.354 2.165 20 10 BECDRO C[C@H]([NH2+]CCCC[NH3+])c1cc(F)cc(F)c1[O-] ZINC001325719527 989236896 /nfs/dbraw/zinc/23/68/96/989236896.db2.gz AKWRIUGEJWZOLC-QMMMGPOBSA-N 1 0 244.285 2.060 20 10 BECDRO COCC1([NH2+]Cc2ccc(N)cc2)CCCC1 ZINC001120372076 989647579 /nfs/dbraw/zinc/64/75/79/989647579.db2.gz YRBNWRMGKXFBLK-UHFFFAOYSA-N 1 0 234.343 2.318 20 10 BECDRO C[C@@H]1CC(=O)CCN1Cc1cccc(F)c1O ZINC001138123890 990886860 /nfs/dbraw/zinc/88/68/60/990886860.db2.gz QBAXIEDZWHPKQZ-SECBINFHSA-N 1 0 237.274 2.085 20 10 BECDRO Oc1cccc(Br)c1C[NH+]1CCC1 ZINC001140098863 991521892 /nfs/dbraw/zinc/52/18/92/991521892.db2.gz PONLAGCJOKFFAP-UHFFFAOYSA-N 1 0 242.116 2.360 20 10 BECDRO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C)C2)c1O ZINC001140182079 991548795 /nfs/dbraw/zinc/54/87/95/991548795.db2.gz IBJGACBJVKOMMD-CYBMUJFWSA-N 1 0 248.370 2.145 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC001140181213 991549326 /nfs/dbraw/zinc/54/93/26/991549326.db2.gz QIIKFYIHGZGTNQ-BETUJISGSA-N 1 0 247.338 2.087 20 10 BECDRO CC(=O)C[N@@H+](C)Cc1c(C)ccc(C)c1O ZINC001140178574 991550445 /nfs/dbraw/zinc/55/04/45/991550445.db2.gz PERZVQPADBKUAH-UHFFFAOYSA-N 1 0 221.300 2.030 20 10 BECDRO Cc1ccc(C)c(C[NH+]2CCC(CO)CC2)c1O ZINC001140180823 991553242 /nfs/dbraw/zinc/55/32/42/991553242.db2.gz MINKQWZUYQMFHQ-UHFFFAOYSA-N 1 0 249.354 2.213 20 10 BECDRO COC[C@@H]1CC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140185163 991554134 /nfs/dbraw/zinc/55/41/34/991554134.db2.gz QOLDQKTYMMKFOL-LBPRGKRZSA-N 1 0 235.327 2.230 20 10 BECDRO COC[C@H]1CC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140185162 991557939 /nfs/dbraw/zinc/55/79/39/991557939.db2.gz QOLDQKTYMMKFOL-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO CCC[N@H+](CCO)Cc1ccc(Cl)cc1O ZINC001560730432 991579182 /nfs/dbraw/zinc/57/91/82/991579182.db2.gz YGXZTXLDDOEOTM-UHFFFAOYSA-N 1 0 243.734 2.250 20 10 BECDRO C[C@@]1(O)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462272 991643841 /nfs/dbraw/zinc/64/38/41/991643841.db2.gz CYLCKCWBHVXVIA-GFCCVEGCSA-N 1 0 241.718 2.002 20 10 BECDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140468351 991647757 /nfs/dbraw/zinc/64/77/57/991647757.db2.gz HWRZAJMIEMDSOD-NSHDSACASA-N 1 0 241.718 2.266 20 10 BECDRO CC(C)OC[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001576039787 993165528 /nfs/dbraw/zinc/16/55/28/993165528.db2.gz FZAZZYIXOSULCZ-NSHDSACASA-N 1 0 222.332 2.172 20 10 BECDRO OC/C=C\C[NH2+]Cc1ccc2ccccc2c1O ZINC001621432079 1170806559 /nfs/dbraw/zinc/80/65/59/1170806559.db2.gz GDBRKZSKANQDFP-ARJAWSKDSA-N 1 0 243.306 2.184 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccc(N)cc2)CC(C)(C)O1 ZINC000045661738 1171452945 /nfs/dbraw/zinc/45/29/45/1171452945.db2.gz VZGGDHBHKPSJKF-NSHDSACASA-N 1 0 234.343 2.268 20 10 BECDRO CC(C)(CCO)C[NH2+]Cc1cc(F)ccc1O ZINC000226611972 187321183 /nfs/dbraw/zinc/32/11/83/187321183.db2.gz SNZQSSHLQZLNBB-UHFFFAOYSA-N 1 0 241.306 2.030 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2C)c(O)c1 ZINC000071333188 398147152 /nfs/dbraw/zinc/14/71/52/398147152.db2.gz RKDDKUMBCGJFJG-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)n(C)n1 ZINC000284513444 178038447 /nfs/dbraw/zinc/03/84/47/178038447.db2.gz WFMADDJWWDZNLG-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1C ZINC000191185970 178195809 /nfs/dbraw/zinc/19/58/09/178195809.db2.gz RKFRQHNDBVGDOP-YGRLFVJLSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1C ZINC000295125377 178197022 /nfs/dbraw/zinc/19/70/22/178197022.db2.gz XGFDVCDEAULQCU-OCCSQVGLSA-N 1 0 249.354 2.260 20 10 BECDRO CC[C@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083552507 398283887 /nfs/dbraw/zinc/28/38/87/398283887.db2.gz MTUWATSALAPBIQ-LBPRGKRZSA-N 1 0 243.734 2.296 20 10 BECDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230688226 187229325 /nfs/dbraw/zinc/22/93/25/187229325.db2.gz ZLGNJEPKOBDRJJ-AWEZNQCLSA-N 1 0 249.354 2.118 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000071409183 178798752 /nfs/dbraw/zinc/79/87/52/178798752.db2.gz PRABIXRGWGDLCK-OCCSQVGLSA-N 1 0 235.327 2.094 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN(C)C ZINC000021968365 178806455 /nfs/dbraw/zinc/80/64/55/178806455.db2.gz DIZVRCMDNBKRSC-NEPJUHHUSA-N 1 0 248.370 2.400 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](CO)C(C)(C)C)c1O ZINC000224169421 345772387 /nfs/dbraw/zinc/77/23/87/345772387.db2.gz CVHRJYQYIOMHIL-LBPRGKRZSA-N 1 0 237.343 2.197 20 10 BECDRO CC[C@@H]([NH2+][C@H](C)CO)c1ccc(C)cc1O ZINC000279957350 346286879 /nfs/dbraw/zinc/28/68/79/346286879.db2.gz CDCQPHXZLJMCMH-ZYHUDNBSSA-N 1 0 223.316 2.122 20 10 BECDRO Cc1ccc(O)c(C[N@H+](C)C[C@H]2CCOC2)c1 ZINC000093840260 537969024 /nfs/dbraw/zinc/96/90/24/537969024.db2.gz PHBBMDNMPYWIJZ-GFCCVEGCSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000124588211 179074970 /nfs/dbraw/zinc/07/49/70/179074970.db2.gz FNXNDUXGZPQTQR-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000124498506 179081028 /nfs/dbraw/zinc/08/10/28/179081028.db2.gz PDZJBDWWBXJBHC-VXGBXAGGSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1O ZINC000290210665 179081395 /nfs/dbraw/zinc/08/13/95/179081395.db2.gz QNGDUYCXYVCNGS-STQMWFEESA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000124498311 179085138 /nfs/dbraw/zinc/08/51/38/179085138.db2.gz PDZJBDWWBXJBHC-TXEJJXNPSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1O ZINC000276064270 179082451 /nfs/dbraw/zinc/08/24/51/179082451.db2.gz VLYRWSOOUGILOB-ZDUSSCGKSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1O ZINC000124542969 179083191 /nfs/dbraw/zinc/08/31/91/179083191.db2.gz JQKWHPGELPGXIK-NWDGAFQWSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c1O ZINC000224804854 179091530 /nfs/dbraw/zinc/09/15/30/179091530.db2.gz YJNDIOBNQDQAME-GFCCVEGCSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CCCOC2)c1O ZINC000124721753 179092078 /nfs/dbraw/zinc/09/20/78/179092078.db2.gz YBFAZEYWJUPJEI-LBPRGKRZSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000077204182 191006459 /nfs/dbraw/zinc/00/64/59/191006459.db2.gz YUCCZJZUFGMHCE-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000637869348 351729825 /nfs/dbraw/zinc/72/98/25/351729825.db2.gz OSFGXMUNWFZEOU-GFCCVEGCSA-N 1 0 230.311 2.087 20 10 BECDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1C ZINC000637873761 351740883 /nfs/dbraw/zinc/74/08/83/351740883.db2.gz SMAOQDQVHIBUIV-ZDUSSCGKSA-N 1 0 244.338 2.395 20 10 BECDRO CCN1CC[N@H+](Cc2cccc(C)c2O)[C@H](C)C1 ZINC000289560474 352189936 /nfs/dbraw/zinc/18/99/36/352189936.db2.gz IYVPFPHSCZOUIJ-CYBMUJFWSA-N 1 0 248.370 2.227 20 10 BECDRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000189937463 188002228 /nfs/dbraw/zinc/00/22/28/188002228.db2.gz LUEIXMAUHZYPNS-YPMHNXCESA-N 1 0 235.327 2.033 20 10 BECDRO CC(C)C[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296207698 188269021 /nfs/dbraw/zinc/26/90/21/188269021.db2.gz ZFBBEXPBOIEETQ-OLZOCXBDSA-N 1 0 249.354 2.376 20 10 BECDRO CC[C@](C)(CCO)[NH2+]Cc1cc(C)ccc1O ZINC000230222543 353478646 /nfs/dbraw/zinc/47/86/46/353478646.db2.gz WDYJWDPYIUJXIN-CQSZACIVSA-N 1 0 237.343 2.341 20 10 BECDRO CC[N@H+](CCOC)Cc1ccc(N(C)C)cc1 ZINC000053401846 363244367 /nfs/dbraw/zinc/24/43/67/363244367.db2.gz MSCBXRFYSILIFG-UHFFFAOYSA-N 1 0 236.359 2.221 20 10 BECDRO CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000296038856 353817154 /nfs/dbraw/zinc/81/71/54/353817154.db2.gz UCPXQEHFDMSSFC-VHDGCEQUSA-N 1 0 248.370 2.317 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000134145487 358781696 /nfs/dbraw/zinc/78/16/96/358781696.db2.gz INRRTTGCCKHUSE-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO CC1(C)C[N@H+](Cc2ccccc2O)CCCO1 ZINC000359997997 366915287 /nfs/dbraw/zinc/91/52/87/366915287.db2.gz KTNZFMVGSVEFTO-UHFFFAOYSA-N 1 0 235.327 2.393 20 10 BECDRO CCOCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000092885106 170389117 /nfs/dbraw/zinc/38/91/17/170389117.db2.gz KHPJVGDKGMVJTG-UHFFFAOYSA-N 1 0 237.343 2.477 20 10 BECDRO OCCC1([NH2+]Cc2ccccc2O)CCCC1 ZINC000285641996 183042733 /nfs/dbraw/zinc/04/27/33/183042733.db2.gz XTHWUEGDBMSBSQ-UHFFFAOYSA-N 1 0 235.327 2.177 20 10 BECDRO OCC[C@H]([NH2+]Cc1ccccc1O)c1ccco1 ZINC000184519995 183097053 /nfs/dbraw/zinc/09/70/53/183097053.db2.gz HZRKUUXEOSVQDA-LBPRGKRZSA-N 1 0 247.294 2.199 20 10 BECDRO Oc1ccc(CC[NH2+]Cc2ccccc2O)cc1 ZINC000026823297 183268446 /nfs/dbraw/zinc/26/84/46/183268446.db2.gz MGLZJRBLFAQUIA-UHFFFAOYSA-N 1 0 243.306 2.430 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000180501731 183275480 /nfs/dbraw/zinc/27/54/80/183275480.db2.gz GCDYDMAHZQPKGR-SNVBAGLBSA-N 1 0 239.290 2.048 20 10 BECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCOC1 ZINC000083551888 183293372 /nfs/dbraw/zinc/29/33/72/183293372.db2.gz QWVVXAQYPLUGIH-VIFPVBQESA-N 1 0 241.718 2.172 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)CC2 ZINC000296294924 183298408 /nfs/dbraw/zinc/29/84/08/183298408.db2.gz DIRAZGAHBKMXAR-KGYLQXTDSA-N 1 0 247.338 2.130 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000368623038 183301304 /nfs/dbraw/zinc/30/13/04/183301304.db2.gz HLZCUARDAGHKDJ-LBPRGKRZSA-N 1 0 243.310 2.452 20 10 BECDRO Oc1ccccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000364044763 183301537 /nfs/dbraw/zinc/30/15/37/183301537.db2.gz XKJGLFTZGKUBQS-UHFFFAOYSA-N 1 0 247.338 2.441 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000375308565 183301961 /nfs/dbraw/zinc/30/19/61/183301961.db2.gz JBFPSKYYGONZQN-CQSZACIVSA-N 1 0 233.311 2.147 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1CCCSC1 ZINC000075152006 183303688 /nfs/dbraw/zinc/30/36/88/183303688.db2.gz KFWKKYAUWGTEOP-LLVKDONJSA-N 1 0 223.341 2.377 20 10 BECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)COC ZINC000070376023 169182256 /nfs/dbraw/zinc/18/22/56/169182256.db2.gz GVDALCOBKLRAPQ-GFCCVEGCSA-N 1 0 236.359 2.397 20 10 BECDRO C[C@H](CCCO)[NH2+][C@@H](C)c1ccccc1O ZINC000087358109 383828124 /nfs/dbraw/zinc/82/81/24/383828124.db2.gz NEVWYRKWBFCXHF-MNOVXSKESA-N 1 0 223.316 2.204 20 10 BECDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628933 383867307 /nfs/dbraw/zinc/86/73/07/383867307.db2.gz WHKCSGAYJHVSRC-QWRGUYRKSA-N 1 0 223.316 2.122 20 10 BECDRO CCOCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000036229204 383890621 /nfs/dbraw/zinc/89/06/21/383890621.db2.gz ULCJYAPXLNNPOV-NSHDSACASA-N 1 0 223.316 2.388 20 10 BECDRO C[C@@H](CCCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000088503413 383904396 /nfs/dbraw/zinc/90/43/96/383904396.db2.gz CFFYVKKCSQRXMG-LBPRGKRZSA-N 1 0 236.359 2.003 20 10 BECDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000037738770 384002653 /nfs/dbraw/zinc/00/26/53/384002653.db2.gz ZGBAIHALKDLGLC-QWHCGFSZSA-N 1 0 248.370 2.440 20 10 BECDRO CCOCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037269109 383967898 /nfs/dbraw/zinc/96/78/98/383967898.db2.gz NQLZESPIJOFEAV-GFCCVEGCSA-N 1 0 236.359 2.440 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)c(O)c1 ZINC000037267035 383968990 /nfs/dbraw/zinc/96/89/90/383968990.db2.gz MOZXYDWHKIDEHJ-LBPRGKRZSA-N 1 0 248.370 2.445 20 10 BECDRO CC(=O)c1cc(F)cc(C[N@@H+](C)C2CC2)c1O ZINC000037322940 383972109 /nfs/dbraw/zinc/97/21/09/383972109.db2.gz LXKMMJPOQCXZJI-UHFFFAOYSA-N 1 0 237.274 2.328 20 10 BECDRO CSCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000068997509 384026669 /nfs/dbraw/zinc/02/66/69/384026669.db2.gz HSGBYKMVDDPMFS-UHFFFAOYSA-N 1 0 237.368 2.464 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000037738769 384003901 /nfs/dbraw/zinc/00/39/01/384003901.db2.gz ZGBAIHALKDLGLC-OLZOCXBDSA-N 1 0 248.370 2.440 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](CO)CC(C)C)c1 ZINC000071408301 384166123 /nfs/dbraw/zinc/16/61/23/384166123.db2.gz VWCSDPMCTUPFMZ-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCn2ccnc2)c1 ZINC000041119486 384179917 /nfs/dbraw/zinc/17/99/17/384179917.db2.gz BXUBPXYGABALAU-LBPRGKRZSA-N 1 0 245.326 2.248 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000093418537 384206562 /nfs/dbraw/zinc/20/65/62/384206562.db2.gz FSAMJJLJURAKTH-RYUDHWBXSA-N 1 0 235.327 2.310 20 10 BECDRO C[C@@H]1OCC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000093417621 384234660 /nfs/dbraw/zinc/23/46/60/384234660.db2.gz ODIYBPQUZMKDTA-STQMWFEESA-N 1 0 248.370 2.362 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCO)c(O)c1 ZINC000132549205 384235748 /nfs/dbraw/zinc/23/57/48/384235748.db2.gz XUARHGIHUBCALW-QWRGUYRKSA-N 1 0 223.316 2.122 20 10 BECDRO COC[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618019 384306952 /nfs/dbraw/zinc/30/69/52/384306952.db2.gz DTYRLMUKTXIPSO-VHSXEESVSA-N 1 0 241.306 2.464 20 10 BECDRO C[C@H](CCO)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618465 384307088 /nfs/dbraw/zinc/30/70/88/384307088.db2.gz WSNYXCBCLVAULI-NXEZZACHSA-N 1 0 241.306 2.200 20 10 BECDRO C[C@@H]([NH2+]Cc1ccnn1C)c1cc(F)ccc1O ZINC000094618196 384307919 /nfs/dbraw/zinc/30/79/19/384307919.db2.gz OXCBMTLJQWWELA-SECBINFHSA-N 1 0 249.289 2.116 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(F)ccc1O ZINC000094942584 384319555 /nfs/dbraw/zinc/31/95/55/384319555.db2.gz XIPLNBHROPMHEP-VHSXEESVSA-N 1 0 241.306 2.343 20 10 BECDRO CC[C@H]([NH2+]C[C@@H](C)CCO)c1ccccc1O ZINC000097439798 384519761 /nfs/dbraw/zinc/51/97/61/384519761.db2.gz CMGLHKWDOIOEOF-AAEUAGOBSA-N 1 0 237.343 2.451 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000185141723 384684620 /nfs/dbraw/zinc/68/46/20/384684620.db2.gz UEWHOJXVDZKZDF-CHWSQXEVSA-N 1 0 248.370 2.445 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000126785847 384831617 /nfs/dbraw/zinc/83/16/17/384831617.db2.gz AELVAOLNJQGTMW-PBWFPOADSA-N 1 0 247.338 2.188 20 10 BECDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000186490154 384845839 /nfs/dbraw/zinc/84/58/39/384845839.db2.gz MBTVDJNKLIJPRL-BLDJZWNYSA-N 1 0 235.327 2.370 20 10 BECDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000163979544 384888727 /nfs/dbraw/zinc/88/87/27/384888727.db2.gz CJZMVVDCONGZIY-GWCFXTLKSA-N 1 0 223.316 2.060 20 10 BECDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297795003 384918116 /nfs/dbraw/zinc/91/81/16/384918116.db2.gz QDQSQZAQUZUTDX-ZKYQVNSYSA-N 1 0 249.354 2.376 20 10 BECDRO Cc1cnc(C[NH2+]Cc2ccccc2O)s1 ZINC000164841475 385045719 /nfs/dbraw/zinc/04/57/19/385045719.db2.gz DLIWGDFTEOGMCP-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000191205570 385293662 /nfs/dbraw/zinc/29/36/62/385293662.db2.gz KNLXFFVCVJGPRN-BDAKNGLRSA-N 1 0 227.279 2.217 20 10 BECDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168777836 385386939 /nfs/dbraw/zinc/38/69/39/385386939.db2.gz NJBVQGHAKUFJKF-RNCFNFMXSA-N 1 0 241.306 2.199 20 10 BECDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000182426682 385444259 /nfs/dbraw/zinc/44/42/59/385444259.db2.gz HPMVCCNCJQWQST-UWVGGRQHSA-N 1 0 209.289 2.078 20 10 BECDRO Cc1c(C[NH2+][C@H](C)c2ccccc2O)cnn1C ZINC000179900461 385498022 /nfs/dbraw/zinc/49/80/22/385498022.db2.gz CYVWVLKEQVFONA-SNVBAGLBSA-N 1 0 245.326 2.285 20 10 BECDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1O ZINC000252811088 385661449 /nfs/dbraw/zinc/66/14/49/385661449.db2.gz GLTWUXBGGHVFQA-SRVKXCTJSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1O ZINC000183448347 385762570 /nfs/dbraw/zinc/76/25/70/385762570.db2.gz ZZSJETRYQCZQGR-NEPJUHHUSA-N 1 0 234.343 2.137 20 10 BECDRO COc1cc(O)c(C[N@H+](C)C(C)C)cc1OC ZINC000183468935 385762994 /nfs/dbraw/zinc/76/29/94/385762994.db2.gz VANLVOAZCNJKRP-UHFFFAOYSA-N 1 0 239.315 2.250 20 10 BECDRO CC[N@H+](CCCO)Cc1cc(C)c(C)cc1O ZINC000271213228 385806527 /nfs/dbraw/zinc/80/65/27/385806527.db2.gz VQARAMWCAHTZQG-UHFFFAOYSA-N 1 0 237.343 2.213 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@@H](CO)C(C)(C)C ZINC000271246474 385810677 /nfs/dbraw/zinc/81/06/77/385810677.db2.gz CPQDUQZBXPTSBQ-ZDUSSCGKSA-N 1 0 237.343 2.231 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)O)c(O)c1 ZINC000283993281 385842995 /nfs/dbraw/zinc/84/29/95/385842995.db2.gz HLKMARQFVMYXQZ-GHMZBOCLSA-N 1 0 223.316 2.040 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)O)c(O)c1 ZINC000283993289 385844344 /nfs/dbraw/zinc/84/43/44/385844344.db2.gz HLKMARQFVMYXQZ-QWRGUYRKSA-N 1 0 223.316 2.040 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCC2(O)CCC2)c1 ZINC000283797498 385794374 /nfs/dbraw/zinc/79/43/74/385794374.db2.gz AAHMYCSBZVDVIF-UHFFFAOYSA-N 1 0 235.327 2.095 20 10 BECDRO Nc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000294815707 385900635 /nfs/dbraw/zinc/90/06/35/385900635.db2.gz QVZKHKXBWZYBQT-GXFFZTMASA-N 1 0 247.342 2.115 20 10 BECDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccccc1O ZINC000217390293 385883216 /nfs/dbraw/zinc/88/32/16/385883216.db2.gz WRSZXYPVJDZHBH-GFCCVEGCSA-N 1 0 236.359 2.212 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCO)c(O)c1C ZINC000273359226 385992935 /nfs/dbraw/zinc/99/29/35/385992935.db2.gz ABQJCUFUPBTCAV-JQWIXIFHSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000219890775 385947676 /nfs/dbraw/zinc/94/76/76/385947676.db2.gz OVYCCUARHWDEED-WCQYABFASA-N 1 0 235.327 2.358 20 10 BECDRO CC[C@H]([NH2+]CCN(C)C)c1ccc(N(C)C)cc1 ZINC000287247109 386107395 /nfs/dbraw/zinc/10/73/95/386107395.db2.gz ZETLLGVFOOAUFN-HNNXBMFYSA-N 1 0 249.402 2.355 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297155595 386227557 /nfs/dbraw/zinc/22/75/57/386227557.db2.gz COGUNQKTMZGUKH-JFGNBEQYSA-N 1 0 235.327 2.393 20 10 BECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCOC1 ZINC000226612004 386344216 /nfs/dbraw/zinc/34/42/16/386344216.db2.gz SXSBTLLWVZXFJY-VHSXEESVSA-N 1 0 239.290 2.046 20 10 BECDRO CC[C@@H](CCO)C[NH2+]Cc1cc(F)ccc1O ZINC000226616643 386345424 /nfs/dbraw/zinc/34/54/24/386345424.db2.gz XITLFYSAVKCSEN-JTQLQIEISA-N 1 0 241.306 2.030 20 10 BECDRO Cn1cccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000265634196 386355906 /nfs/dbraw/zinc/35/59/06/386355906.db2.gz FUJRQWSUMIILFI-UHFFFAOYSA-N 1 0 242.322 2.250 20 10 BECDRO Cc1cn[nH]c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000289927051 386373105 /nfs/dbraw/zinc/37/31/05/386373105.db2.gz OVJOQXAJLYUCAU-UHFFFAOYSA-N 1 0 244.342 2.074 20 10 BECDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000226586218 386336376 /nfs/dbraw/zinc/33/63/76/386336376.db2.gz YZRXYPQNVOACMV-LBPRGKRZSA-N 1 0 241.306 2.028 20 10 BECDRO CC[N@H+](CCOC)Cc1cc(C)c(C)cc1O ZINC000299290728 386438055 /nfs/dbraw/zinc/43/80/55/386438055.db2.gz SZYLWLGMZMMKKP-UHFFFAOYSA-N 1 0 237.343 2.477 20 10 BECDRO Cc1nc(CC[NH2+]Cc2ccccc2O)cs1 ZINC000227436700 386484773 /nfs/dbraw/zinc/48/47/73/386484773.db2.gz YESNMGSCSYRZKM-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO C[C@@H](O)CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000227959079 386525513 /nfs/dbraw/zinc/52/55/13/386525513.db2.gz JMYLKCVKAYWHDL-GFCCVEGCSA-N 1 0 236.359 2.003 20 10 BECDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000228037931 386533970 /nfs/dbraw/zinc/53/39/70/386533970.db2.gz YLYDQAZEGDTDPW-ZJUUUORDSA-N 1 0 241.306 2.343 20 10 BECDRO CC[C@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000124525332 386635460 /nfs/dbraw/zinc/63/54/60/386635460.db2.gz SPDQYOSRJADPSJ-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cc(C[N@H+](C)C2(CO)CC2)ccc1N(C)C ZINC000293453543 386658403 /nfs/dbraw/zinc/65/84/03/386658403.db2.gz CRUKRCOYWCYUOW-UHFFFAOYSA-N 1 0 248.370 2.018 20 10 BECDRO C[C@@H](CF)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288369903 386760573 /nfs/dbraw/zinc/76/05/73/386760573.db2.gz FAEDIHRALCBDQR-VIFPVBQESA-N 1 0 209.264 2.069 20 10 BECDRO Cc1nnsc1C[NH2+][C@H](C)c1ccccc1O ZINC000293262078 386790342 /nfs/dbraw/zinc/79/03/42/386790342.db2.gz CAAXFFFULVLQKB-MRVPVSSYSA-N 1 0 249.339 2.403 20 10 BECDRO COC[C@@H]1CC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000293629406 386853316 /nfs/dbraw/zinc/85/33/16/386853316.db2.gz LHMJSQFXERGEQP-ZDUSSCGKSA-N 1 0 235.327 2.230 20 10 BECDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000191651246 387038589 /nfs/dbraw/zinc/03/85/89/387038589.db2.gz YLBPQGDIDJNASS-HBNTYKKESA-N 1 0 223.316 2.466 20 10 BECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000191694920 387051701 /nfs/dbraw/zinc/05/17/01/387051701.db2.gz SUQNFVOCVMDPEO-DTWKUNHWSA-N 1 0 227.279 2.044 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373328980 387357617 /nfs/dbraw/zinc/35/76/17/387357617.db2.gz SWBPLNNSFFBFEF-HNNXBMFYSA-N 1 0 247.338 2.047 20 10 BECDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccccc1O ZINC000286957056 387349067 /nfs/dbraw/zinc/34/90/67/387349067.db2.gz HTAVORJCBADDPB-LLVKDONJSA-N 1 0 233.311 2.390 20 10 BECDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccccc1O ZINC000286957057 387349170 /nfs/dbraw/zinc/34/91/70/387349170.db2.gz HTAVORJCBADDPB-NSHDSACASA-N 1 0 233.311 2.390 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC23CCOCC3)c1 ZINC000375730320 387575837 /nfs/dbraw/zinc/57/58/37/387575837.db2.gz IYRDXQYEMZPJEY-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO C[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134899065 388480508 /nfs/dbraw/zinc/48/05/08/388480508.db2.gz ISDZZYIPAOPAFZ-HTQZYQBOSA-N 1 0 229.707 2.077 20 10 BECDRO CC(C)(CO)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295834977 388414896 /nfs/dbraw/zinc/41/48/96/388414896.db2.gz ADPRGDJHGCBURC-LBPRGKRZSA-N 1 0 249.354 2.378 20 10 BECDRO COC[C@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295996724 388417488 /nfs/dbraw/zinc/41/74/88/388417488.db2.gz OBXCSYSYYAJWLS-PWSUYJOCSA-N 1 0 235.327 2.252 20 10 BECDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccccc1O ZINC000297434893 388429846 /nfs/dbraw/zinc/42/98/46/388429846.db2.gz VOSKGAARNHSLQC-NEPJUHHUSA-N 1 0 237.343 2.451 20 10 BECDRO CO[C@H](C)CC[NH2+][C@H](C)c1ccccc1O ZINC000272892450 389035892 /nfs/dbraw/zinc/03/58/92/389035892.db2.gz SXWDMUXXIPAGKP-GHMZBOCLSA-N 1 0 223.316 2.468 20 10 BECDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000226611744 167393640 /nfs/dbraw/zinc/39/36/40/167393640.db2.gz KPGLBSULRAJNER-GFCCVEGCSA-N 1 0 241.306 2.028 20 10 BECDRO CC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000226787004 168042354 /nfs/dbraw/zinc/04/23/54/168042354.db2.gz BPCJZVZWYDJOSQ-UHFFFAOYSA-N 1 0 249.310 2.401 20 10 BECDRO CCC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000190295083 168201168 /nfs/dbraw/zinc/20/11/68/168201168.db2.gz LHOCTCRQXDOITK-UHFFFAOYSA-N 1 0 221.300 2.193 20 10 BECDRO CCOCC[N@H+](CC)Cc1cc(F)ccc1O ZINC000179997879 170396288 /nfs/dbraw/zinc/39/62/88/170396288.db2.gz NZIWQTRWUSGPJA-UHFFFAOYSA-N 1 0 241.306 2.390 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@H]1O ZINC000271244474 171088252 /nfs/dbraw/zinc/08/82/52/171088252.db2.gz BUTKZVBYTHHKCH-IUODEOHRSA-N 1 0 249.354 2.212 20 10 BECDRO CC[C@H](COC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000079707368 171460087 /nfs/dbraw/zinc/46/00/87/171460087.db2.gz IWQSHVTYEIOWML-CYBMUJFWSA-N 1 0 236.359 2.267 20 10 BECDRO COC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000124522223 174030992 /nfs/dbraw/zinc/03/09/92/174030992.db2.gz PFPFKVVUFQOHGK-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO COCCCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000044655074 174200574 /nfs/dbraw/zinc/20/05/74/174200574.db2.gz MLNIAOPDMNWOLG-UHFFFAOYSA-N 1 0 236.359 2.269 20 10 BECDRO COCCC[NH2+][C@@H](C)c1ccccc1O ZINC000020142333 174249075 /nfs/dbraw/zinc/24/90/75/174249075.db2.gz PBSHLJWOZFEAIP-JTQLQIEISA-N 1 0 209.289 2.079 20 10 BECDRO COCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020142910 174250354 /nfs/dbraw/zinc/25/03/54/174250354.db2.gz KKBUCUXCWLPMDN-LLVKDONJSA-N 1 0 223.316 2.388 20 10 BECDRO COCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298713344 174299002 /nfs/dbraw/zinc/29/90/02/174299002.db2.gz LGPJWXLNRZRVKF-UHFFFAOYSA-N 1 0 248.370 2.363 20 10 BECDRO COCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000019881677 174340364 /nfs/dbraw/zinc/34/03/64/174340364.db2.gz HKEFEGHTOQIHHR-MNOVXSKESA-N 1 0 235.327 2.485 20 10 BECDRO COC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000019904573 174552067 /nfs/dbraw/zinc/55/20/67/174552067.db2.gz RCIMZZPCEAFRNX-VHSXEESVSA-N 1 0 209.289 2.078 20 10 BECDRO CO[C@@H](C[NH2+]Cc1cccc(C)c1O)C1CC1 ZINC000293763324 174732573 /nfs/dbraw/zinc/73/25/73/174732573.db2.gz XZMQBFXUSPMTRX-ZDUSSCGKSA-N 1 0 235.327 2.215 20 10 BECDRO COc1cc(Cl)cc(C[NH2+]CCF)c1O ZINC000280806134 174989901 /nfs/dbraw/zinc/98/99/01/174989901.db2.gz SZMCPWQXTCYHLF-UHFFFAOYSA-N 1 0 233.670 2.113 20 10 BECDRO COc1cccc(C[NH2+]Cc2cccn2C)c1O ZINC000266604291 175265906 /nfs/dbraw/zinc/26/59/06/175265906.db2.gz OTOLGPBLQMWSHD-UHFFFAOYSA-N 1 0 246.310 2.029 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cn[nH]c1 ZINC000296670245 175917890 /nfs/dbraw/zinc/91/78/90/175917890.db2.gz FUMUVMUVZLREHZ-BXKDBHETSA-N 1 0 243.310 2.453 20 10 BECDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000085981157 175960810 /nfs/dbraw/zinc/96/08/10/175960810.db2.gz WCNYBEDFVIMSSG-VXGBXAGGSA-N 1 0 236.359 2.174 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000174963573 176173497 /nfs/dbraw/zinc/17/34/97/176173497.db2.gz NEUDUOIUDCEPGY-NXEZZACHSA-N 1 0 249.310 2.351 20 10 BECDRO C[C@H](CCCO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000294880560 176620669 /nfs/dbraw/zinc/62/06/69/176620669.db2.gz VLUVDLCPBPMZPS-GFCCVEGCSA-N 1 0 249.354 2.120 20 10 BECDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccccc1O ZINC000297434898 176630622 /nfs/dbraw/zinc/63/06/22/176630622.db2.gz VOSKGAARNHSLQC-NWDGAFQWSA-N 1 0 237.343 2.451 20 10 BECDRO C[C@H]([NH2+]CCF)c1ccc(N(C)C)cc1 ZINC000275043962 176846966 /nfs/dbraw/zinc/84/69/66/176846966.db2.gz YMOPSKAIZDEGTI-JTQLQIEISA-N 1 0 210.296 2.373 20 10 BECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000219922643 177369952 /nfs/dbraw/zinc/36/99/52/177369952.db2.gz AQPWCHNFNCDOGK-SMDDNHRTSA-N 1 0 247.338 2.279 20 10 BECDRO C[C@H]1OCC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000093417622 177399814 /nfs/dbraw/zinc/39/98/14/177399814.db2.gz ODIYBPQUZMKDTA-CHWSQXEVSA-N 1 0 248.370 2.362 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1O)[C@H](C)O ZINC001652462812 1173086516 /nfs/dbraw/zinc/08/65/16/1173086516.db2.gz IOEFZCWSSDESIY-GZMMTYOYSA-N 1 0 243.734 2.295 20 10 BECDRO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000294928149 488025566 /nfs/dbraw/zinc/02/55/66/488025566.db2.gz GAVHQGVIORQNRM-IUODEOHRSA-N 1 0 248.370 2.098 20 10 BECDRO C[N@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000267157737 536392330 /nfs/dbraw/zinc/39/23/30/536392330.db2.gz PDYDAEOSHBKTKR-UHFFFAOYSA-N 1 0 248.370 2.101 20 10 BECDRO CC[C@H](N[C@@H](C)C[NH2+]C)c1ccccc1O ZINC000854230874 588781084 /nfs/dbraw/zinc/78/10/84/588781084.db2.gz BAZUTJQVCOQEBQ-JQWIXIFHSA-N 1 0 222.332 2.041 20 10 BECDRO Cc1noc(C)c1C[NH2+]Cc1ccccc1O ZINC000112017530 588780344 /nfs/dbraw/zinc/78/03/44/588780344.db2.gz CVDGDEUDURFBRH-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1O ZINC000854232444 588781545 /nfs/dbraw/zinc/78/15/45/588781545.db2.gz PVGQMFBFBNCZRD-PWSUYJOCSA-N 1 0 236.359 2.268 20 10 BECDRO CCC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891577624 582697836 /nfs/dbraw/zinc/69/78/36/582697836.db2.gz DHLNHKHRMJYQSH-UHFFFAOYSA-N 1 0 239.315 2.251 20 10 BECDRO COc1ccc(N(C)CC2CC[NH+](C)CC2)cc1 ZINC000146513148 582795483 /nfs/dbraw/zinc/79/54/83/582795483.db2.gz WRUFLJKXRCRTFP-UHFFFAOYSA-N 1 0 248.370 2.473 20 10 BECDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)nn1 ZINC000840911092 583116198 /nfs/dbraw/zinc/11/61/98/583116198.db2.gz OTWPJEOQRAQQSA-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1O ZINC000857060525 588884499 /nfs/dbraw/zinc/88/44/99/588884499.db2.gz ASTGYYBLIJAXSN-RISCZKNCSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000840979787 583214519 /nfs/dbraw/zinc/21/45/19/583214519.db2.gz URXWDUIMWHCAOK-OLZOCXBDSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000840979779 583214816 /nfs/dbraw/zinc/21/48/16/583214816.db2.gz URXWDUIMWHCAOK-CHWSQXEVSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CCCOC1 ZINC000877515778 583321742 /nfs/dbraw/zinc/32/17/42/583321742.db2.gz OXKLHKDKPWUWLN-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO COc1cc(C)cc(C[NH2+]C[C@H]2C[C@@H]2C)c1O ZINC000894175551 583326492 /nfs/dbraw/zinc/32/64/92/583326492.db2.gz IXXONWGOSLKDLF-WDEREUQCSA-N 1 0 235.327 2.455 20 10 BECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1c(C)cccc1O ZINC000894481330 583470505 /nfs/dbraw/zinc/47/05/05/583470505.db2.gz WRLLSJMTPHVVPD-MVZIDQBPSA-N 1 0 235.327 2.117 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cnccn2)c1 ZINC000895392961 583664845 /nfs/dbraw/zinc/66/48/45/583664845.db2.gz XAYMGNXZIRXMBK-NSHDSACASA-N 1 0 243.310 2.341 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895779423 583726544 /nfs/dbraw/zinc/72/65/44/583726544.db2.gz OLIZOSOWHUVTIQ-BETUJISGSA-N 1 0 249.379 2.495 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CC(OC(C)C)C1 ZINC000895954566 583752237 /nfs/dbraw/zinc/75/22/37/583752237.db2.gz AXRANEDHYAYSIN-UHFFFAOYSA-N 1 0 235.327 2.310 20 10 BECDRO CCN(CC)c1ccc(C[NH2+]CC2COC2)cc1 ZINC000858300857 588943126 /nfs/dbraw/zinc/94/31/26/588943126.db2.gz NKHPKHJGJRUKIR-UHFFFAOYSA-N 1 0 248.370 2.269 20 10 BECDRO C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745535 583993010 /nfs/dbraw/zinc/99/30/10/583993010.db2.gz ZYHVJBYRFRRUFQ-HTQZYQBOSA-N 1 0 229.707 2.077 20 10 BECDRO Oc1ccccc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897530605 584007697 /nfs/dbraw/zinc/00/76/97/584007697.db2.gz MNDVNHILLQAMIO-UHFFFAOYSA-N 1 0 247.338 2.177 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC[C@@H](O)C2CC2)cc1C ZINC000898202503 584089861 /nfs/dbraw/zinc/08/98/61/584089861.db2.gz JBCQNQMRBYHNLF-CQSZACIVSA-N 1 0 249.354 2.260 20 10 BECDRO Cc1ncccc1CC[NH2+]Cc1ccccc1O ZINC000898257062 584106749 /nfs/dbraw/zinc/10/67/49/584106749.db2.gz NHHZLQSUNSNWIJ-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c(O)c1 ZINC000898377437 584113690 /nfs/dbraw/zinc/11/36/90/584113690.db2.gz VABUBLBMUOUCTF-ZIAGYGMSSA-N 1 0 247.338 2.215 20 10 BECDRO Cc1cc(O)c(CN[C@@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000841059985 584126151 /nfs/dbraw/zinc/12/61/51/584126151.db2.gz ZHWSVZKLAOUWNQ-QMTHXVAHSA-N 1 0 248.370 2.097 20 10 BECDRO Cc1ccc(O)c([C@@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902468064 584614449 /nfs/dbraw/zinc/61/44/49/584614449.db2.gz LKXNWKAAVWPCTJ-ZMJPVWNMSA-N 1 0 246.354 2.244 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(O)c1 ZINC000902469896 584616190 /nfs/dbraw/zinc/61/61/90/584616190.db2.gz SJXZRWSFWVZKRA-CDGCEXEKSA-N 1 0 246.354 2.244 20 10 BECDRO CC(C)([NH3+])CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000903938865 584824495 /nfs/dbraw/zinc/82/44/95/584824495.db2.gz NVGONLZNEPWDQM-UHFFFAOYSA-N 1 0 242.750 2.263 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCC(C)(C)[NH3+])cc1C ZINC000903938776 584827238 /nfs/dbraw/zinc/82/72/38/584827238.db2.gz KBBCNRWHGAQKEX-UHFFFAOYSA-N 1 0 236.359 2.226 20 10 BECDRO Cc1cccc(C[NH2+][C@H](CN)C2CCCC2)c1O ZINC000841087092 584884002 /nfs/dbraw/zinc/88/40/02/584884002.db2.gz MQCZKQCZZBMASK-CQSZACIVSA-N 1 0 248.370 2.308 20 10 BECDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1O ZINC000877026530 584888925 /nfs/dbraw/zinc/88/89/25/584888925.db2.gz BXEICXLLFNNMIM-CQSZACIVSA-N 1 0 237.343 2.341 20 10 BECDRO C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817978081 584994566 /nfs/dbraw/zinc/99/45/66/584994566.db2.gz VOSUFHRKNHQNNO-PRJMDXOYSA-N 1 0 244.285 2.057 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@H](C)[NH3+] ZINC000817978082 584994780 /nfs/dbraw/zinc/99/47/80/584994780.db2.gz VOSUFHRKNHQNNO-RNJXMRFFSA-N 1 0 244.285 2.057 20 10 BECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C1CC1 ZINC000838859550 585075703 /nfs/dbraw/zinc/07/57/03/585075703.db2.gz LGYFXMALWDPYCG-OAHLLOKOSA-N 1 0 249.354 2.375 20 10 BECDRO COCC1(C)C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000839145991 585092409 /nfs/dbraw/zinc/09/24/09/585092409.db2.gz ZLCGPXITQOVXCP-UHFFFAOYSA-N 1 0 248.370 2.221 20 10 BECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccn(C)n1 ZINC000839192512 585097409 /nfs/dbraw/zinc/09/74/09/585097409.db2.gz VEZLXQLGVMXUIY-VIFPVBQESA-N 1 0 249.289 2.116 20 10 BECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000839193004 585097726 /nfs/dbraw/zinc/09/77/26/585097726.db2.gz VPJSSOMADFBHHC-OCCSQVGLSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)C2CC2)cc1C ZINC000742370882 585124991 /nfs/dbraw/zinc/12/49/91/585124991.db2.gz TWKANDYDQARLHP-HNNXBMFYSA-N 1 0 249.354 2.260 20 10 BECDRO CC[C@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000742370037 585125021 /nfs/dbraw/zinc/12/50/21/585125021.db2.gz OCWZKUHLPPCUTG-AWEZNQCLSA-N 1 0 237.343 2.260 20 10 BECDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccccc1O ZINC000743499124 585137428 /nfs/dbraw/zinc/13/74/28/585137428.db2.gz HUEMBKMYGDKZLC-AAEUAGOBSA-N 1 0 237.343 2.279 20 10 BECDRO OCCC1(C[NH2+]Cc2ccccc2O)CCCC1 ZINC000744449400 585150365 /nfs/dbraw/zinc/15/03/65/585150365.db2.gz VWAVOWDVSCARQW-UHFFFAOYSA-N 1 0 249.354 2.425 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1 ZINC000789556580 585166470 /nfs/dbraw/zinc/16/64/70/585166470.db2.gz CWNCZVKSKAFLKL-OAHLLOKOSA-N 1 0 248.370 2.099 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]CCCO)c2c1c(F)ccc2O ZINC000756343767 585318077 /nfs/dbraw/zinc/31/80/77/585318077.db2.gz OAZRDTWGBBNGHZ-SCZZXKLOSA-N 1 0 239.290 2.052 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC2)c(O)c1C ZINC000756769823 585322963 /nfs/dbraw/zinc/32/29/63/585322963.db2.gz QYFFECQQWGJNQT-RYUDHWBXSA-N 1 0 235.327 2.449 20 10 BECDRO C[C@@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756780826 585323045 /nfs/dbraw/zinc/32/30/45/585323045.db2.gz VQRTZBFJSCXPPW-QXFUBDJGSA-N 1 0 239.290 2.050 20 10 BECDRO CCC[N@H+](C)Cc1c(O)cccc1OC ZINC000768244354 585534748 /nfs/dbraw/zinc/53/47/48/585534748.db2.gz ISLGEYIFUSIXPQ-UHFFFAOYSA-N 1 0 209.289 2.243 20 10 BECDRO COC[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000772994896 585629148 /nfs/dbraw/zinc/62/91/48/585629148.db2.gz CBDPPAYSCAQKPL-GFCCVEGCSA-N 1 0 236.359 2.186 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1 ZINC000773815929 585644360 /nfs/dbraw/zinc/64/43/60/585644360.db2.gz KEAOCGUKYMLDJG-SWLSCSKDSA-N 1 0 248.370 2.098 20 10 BECDRO Cc1cc(C[NH2+]Cc2cccc(C)c2O)ncn1 ZINC000776252261 585694009 /nfs/dbraw/zinc/69/40/09/585694009.db2.gz AILHBRLEUNLTPB-UHFFFAOYSA-N 1 0 243.310 2.089 20 10 BECDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccccc1O ZINC000777824412 585720721 /nfs/dbraw/zinc/72/07/21/585720721.db2.gz FBQVPOFHWAVVHU-OCCSQVGLSA-N 1 0 248.370 2.164 20 10 BECDRO COc1cc(C)cc(C[N@H+]2CC=CCC2)c1O ZINC000778576459 585737391 /nfs/dbraw/zinc/73/73/91/585737391.db2.gz HAJPMVSAXCDKSC-UHFFFAOYSA-N 1 0 233.311 2.471 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000779202655 585747224 /nfs/dbraw/zinc/74/72/24/585747224.db2.gz RWCRBQZNWFSODB-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000779202653 585747278 /nfs/dbraw/zinc/74/72/78/585747278.db2.gz RSCZILYRFRWFAD-HNNXBMFYSA-N 1 0 248.370 2.099 20 10 BECDRO CC[C@@]1(O)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000779219015 585747501 /nfs/dbraw/zinc/74/75/01/585747501.db2.gz KQFDLCXXEITWFC-OAHLLOKOSA-N 1 0 249.354 2.356 20 10 BECDRO CC[C@]1(O)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000779215549 585747507 /nfs/dbraw/zinc/74/75/07/585747507.db2.gz BMKXHOUUADVIJV-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000788268502 585920103 /nfs/dbraw/zinc/92/01/03/585920103.db2.gz DVSFCMQEYSFKQB-KCJUWKMLSA-N 1 0 241.718 2.001 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000802658520 586308810 /nfs/dbraw/zinc/30/88/10/586308810.db2.gz HLACYQCTCJZUOZ-JTQLQIEISA-N 1 0 243.253 2.206 20 10 BECDRO Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2C)ccc1N(C)C ZINC000815079560 586665932 /nfs/dbraw/zinc/66/59/32/586665932.db2.gz SEPYIBASCMARIS-GXTWGEPZSA-N 1 0 248.370 2.016 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(C)C2)c(O)c1 ZINC000815576339 586688346 /nfs/dbraw/zinc/68/83/46/586688346.db2.gz OPPWEODVHOIXRY-OLZOCXBDSA-N 1 0 248.370 2.364 20 10 BECDRO Oc1c(C[NH2+][C@@H]2CCOC2)ccc2ccccc21 ZINC000816558319 586740857 /nfs/dbraw/zinc/74/08/57/586740857.db2.gz UPGAWIWWISDNQV-CYBMUJFWSA-N 1 0 243.306 2.424 20 10 BECDRO COC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000816637325 586746337 /nfs/dbraw/zinc/74/63/37/586746337.db2.gz ZUJFWVXTNPZAMH-NSHDSACASA-N 1 0 241.718 2.266 20 10 BECDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC000816647259 586749179 /nfs/dbraw/zinc/74/91/79/586749179.db2.gz QEBWYIIJBDHMDV-IUCAKERBSA-N 1 0 209.264 2.372 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c1O ZINC000817415586 586802714 /nfs/dbraw/zinc/80/27/14/586802714.db2.gz ZIFIEMRWYIHFGJ-DGCLKSJQSA-N 1 0 235.327 2.046 20 10 BECDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CC1 ZINC000817938174 586844376 /nfs/dbraw/zinc/84/43/76/586844376.db2.gz GCRGTKLUXGAXLW-XHDPSFHLSA-N 1 0 247.386 2.141 20 10 BECDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817941369 586844927 /nfs/dbraw/zinc/84/49/27/586844927.db2.gz PBIUIBUHVRLDRO-OCCSQVGLSA-N 1 0 247.386 2.155 20 10 BECDRO Cc1ccc([C@H](C)N[C@H]2CCC[NH2+]C2)c(O)c1C ZINC000817942489 586844990 /nfs/dbraw/zinc/84/49/90/586844990.db2.gz ZRSXTPQPXWEVEH-STQMWFEESA-N 1 0 248.370 2.412 20 10 BECDRO Cc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000817942428 586845343 /nfs/dbraw/zinc/84/53/43/586845343.db2.gz YMAGPWCEAFAIKJ-VXGBXAGGSA-N 1 0 234.343 2.103 20 10 BECDRO CC[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(C)cc1O ZINC000817945037 586845885 /nfs/dbraw/zinc/84/58/85/586845885.db2.gz RVYUTJFDYLLQFH-WCQYABFASA-N 1 0 234.343 2.103 20 10 BECDRO Oc1cccc2c1[C@@H](NC[C@H]1CCCC[NH2+]1)CC2 ZINC000817949308 586846987 /nfs/dbraw/zinc/84/69/87/586846987.db2.gz IHWKDDHXCYDTGL-OLZOCXBDSA-N 1 0 246.354 2.111 20 10 BECDRO Cc1ccc([C@@H](C)NC[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000817951448 586847561 /nfs/dbraw/zinc/84/75/61/586847561.db2.gz FVMJWSVXOIDAEW-NEPJUHHUSA-N 1 0 234.343 2.103 20 10 BECDRO Cc1ccc([C@H](C)NC[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000817951450 586848096 /nfs/dbraw/zinc/84/80/96/586848096.db2.gz FVMJWSVXOIDAEW-RYUDHWBXSA-N 1 0 234.343 2.103 20 10 BECDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000817952788 586848920 /nfs/dbraw/zinc/84/89/20/586848920.db2.gz SGEBBPOLUHUUSZ-GXTWGEPZSA-N 1 0 247.386 2.155 20 10 BECDRO CC[C@@H]([NH2+]CCNC1CC1)c1ccc(C)cc1O ZINC000817953989 586849162 /nfs/dbraw/zinc/84/91/62/586849162.db2.gz UNTYZYBUHLIJJS-CQSZACIVSA-N 1 0 248.370 2.493 20 10 BECDRO CC[C@@H](NCC[NH2+]C)c1ccc(N(C)C)cc1 ZINC000817954197 586849208 /nfs/dbraw/zinc/84/92/08/586849208.db2.gz XFTPEJAGNWOIHA-CQSZACIVSA-N 1 0 235.375 2.013 20 10 BECDRO C[C@H]([NH2+]CCc1ccc(N)cc1)C1CCOCC1 ZINC000817955793 586849658 /nfs/dbraw/zinc/84/96/58/586849658.db2.gz HVZADJLZCSRYNL-LBPRGKRZSA-N 1 0 248.370 2.216 20 10 BECDRO COC[C@H]([NH2+]CCc1ccc(N)cc1)C(C)C ZINC000817955466 586849800 /nfs/dbraw/zinc/84/98/00/586849800.db2.gz BPBQSKQFFAFMOY-AWEZNQCLSA-N 1 0 236.359 2.072 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c(O)c1C ZINC000817961114 586851683 /nfs/dbraw/zinc/85/16/83/586851683.db2.gz XIJLDPTTZCEAPJ-NSHDSACASA-N 1 0 236.359 2.397 20 10 BECDRO CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817958798 586852109 /nfs/dbraw/zinc/85/21/09/586852109.db2.gz MOSQDZNMHZCKBO-CABZTGNLSA-N 1 0 240.322 2.165 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN)c(O)c1C ZINC000817966771 586855037 /nfs/dbraw/zinc/85/50/37/586855037.db2.gz VGXMRLZTHDXYFS-MWLCHTKSSA-N 1 0 222.332 2.007 20 10 BECDRO CC[NH2+][C@H](C)CN[C@@H](C)c1cc(C)ccc1O ZINC000817971269 586857775 /nfs/dbraw/zinc/85/77/75/586857775.db2.gz BNOLPXQEKSURDH-NEPJUHHUSA-N 1 0 236.359 2.349 20 10 BECDRO CCOc1ccc(C[NH2+][C@H]2CC23CC3)c(O)c1 ZINC000818230600 586880649 /nfs/dbraw/zinc/88/06/49/586880649.db2.gz PTSJZTXQLGGPEA-ZDUSSCGKSA-N 1 0 233.311 2.433 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000818358045 586889255 /nfs/dbraw/zinc/88/92/55/586889255.db2.gz PVRQEAUPJNPRJS-RRFJBIMHSA-N 1 0 248.370 2.317 20 10 BECDRO CN(C)c1ccc(OCC[C@@H]2CC[NH2+]C2)cc1 ZINC000818620167 586907469 /nfs/dbraw/zinc/90/74/69/586907469.db2.gz UQHBYUGWVLPTDD-LBPRGKRZSA-N 1 0 234.343 2.131 20 10 BECDRO COc1cc(O)c(C[NH+]2CC3(CC3)C2)cc1OC ZINC000824533908 587273704 /nfs/dbraw/zinc/27/37/04/587273704.db2.gz SCWYZGQYLKPHKS-UHFFFAOYSA-N 1 0 249.310 2.005 20 10 BECDRO CC[C@H]1CN(CC)CC[N@@H+]1Cc1ccccc1O ZINC000825006162 587298283 /nfs/dbraw/zinc/29/82/83/587298283.db2.gz YTKRNABPUHRRQS-AWEZNQCLSA-N 1 0 248.370 2.308 20 10 BECDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccccc2O)C1 ZINC000825091320 587303617 /nfs/dbraw/zinc/30/36/17/587303617.db2.gz YCOGKQZSVDWXJD-ZDUSSCGKSA-N 1 0 249.354 2.375 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000825338845 587316111 /nfs/dbraw/zinc/31/61/11/587316111.db2.gz VLPZQNQZQIRTNE-CYBMUJFWSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1 ZINC000827285246 587375117 /nfs/dbraw/zinc/37/51/17/587375117.db2.gz YZAQCAOSWVFUNR-DZGCQCFKSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1O ZINC000827282431 587375340 /nfs/dbraw/zinc/37/53/40/587375340.db2.gz MJHFVTPGBCOGSZ-DZGCQCFKSA-N 1 0 247.338 2.169 20 10 BECDRO COc1cccc(O)c1C[NH+]1CCCCC1 ZINC000001603600 587697160 /nfs/dbraw/zinc/69/71/60/587697160.db2.gz KRSZZMRKDIHKHH-UHFFFAOYSA-N 1 0 221.300 2.387 20 10 BECDRO OCC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000834669393 587763507 /nfs/dbraw/zinc/76/35/07/587763507.db2.gz XLXVZEFNGIMUPR-OLZOCXBDSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@@H](CCO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040100 587779268 /nfs/dbraw/zinc/77/92/68/587779268.db2.gz OBTHQISTUHAHPN-ZFDPJTLLSA-N 1 0 248.370 2.126 20 10 BECDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)O)cc1 ZINC000835040913 587779447 /nfs/dbraw/zinc/77/94/47/587779447.db2.gz WDNGJCBKFZRSDB-AATRIKPKSA-N 1 0 248.370 2.126 20 10 BECDRO CO[C@@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835049996 587779497 /nfs/dbraw/zinc/77/94/97/587779497.db2.gz LGDBHXVFWMKOND-GFUIURDCSA-N 1 0 248.370 2.390 20 10 BECDRO CN(C)c1ccc(/C=C/C[NH2+]CCCCO)cc1 ZINC000835055216 587779770 /nfs/dbraw/zinc/77/97/70/587779770.db2.gz XEFXLXDADIUSHZ-AATRIKPKSA-N 1 0 248.370 2.128 20 10 BECDRO CCC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000835073686 587779853 /nfs/dbraw/zinc/77/98/53/587779853.db2.gz DPOLVCYMROMMMV-UHFFFAOYSA-N 1 0 209.264 2.373 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC[C@H](C)O)c(Cl)c1 ZINC000840896801 587928420 /nfs/dbraw/zinc/92/84/20/587928420.db2.gz GROYFVLJZUUNTF-VIFPVBQESA-N 1 0 243.734 2.215 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1O ZINC000840977810 587933089 /nfs/dbraw/zinc/93/30/89/587933089.db2.gz KBBHAFVJGTXXJZ-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO COC1([C@H](C)[NH2+]Cc2ccccc2O)CCC1 ZINC000840969543 587933347 /nfs/dbraw/zinc/93/33/47/587933347.db2.gz HVEXUJFROIIJED-NSHDSACASA-N 1 0 235.327 2.439 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](CN)CC(C)C)c1 ZINC000841037921 587937687 /nfs/dbraw/zinc/93/76/87/587937687.db2.gz CWJCNYSNBYNMCN-CYBMUJFWSA-N 1 0 236.359 2.164 20 10 BECDRO Nc1ccc(CC[NH2+]C2CCSCC2)cc1 ZINC000841037101 587937900 /nfs/dbraw/zinc/93/79/00/587937900.db2.gz YHTLUHNXNKINFE-UHFFFAOYSA-N 1 0 236.384 2.297 20 10 BECDRO CC(C)C[C@@H](C[NH3+])NCc1ccc2c(c1)CCO2 ZINC000841038603 587938019 /nfs/dbraw/zinc/93/80/19/587938019.db2.gz LRLIDVAGPQRLST-AWEZNQCLSA-N 1 0 248.370 2.085 20 10 BECDRO C[C@@H]1C[C@@H](CNc2ccc(N)cc2)CC[NH2+]1 ZINC000841040624 587938657 /nfs/dbraw/zinc/93/86/57/587938657.db2.gz PYPKJZZVMDQKGS-MNOVXSKESA-N 1 0 219.332 2.069 20 10 BECDRO CC[C@H](C)C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046014 587939159 /nfs/dbraw/zinc/93/91/59/587939159.db2.gz UKQHTTCJVPAVFB-WFASDCNBSA-N 1 0 249.402 2.388 20 10 BECDRO CC[NH2+][C@H](C)CNCc1ccc(N(C)C)cc1C ZINC000841063371 587941758 /nfs/dbraw/zinc/94/17/58/587941758.db2.gz HZBRHWYTZDQPRE-CYBMUJFWSA-N 1 0 249.402 2.149 20 10 BECDRO C[C@H]([NH3+])[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000841076605 587943907 /nfs/dbraw/zinc/94/39/07/587943907.db2.gz JXNPWTDXUHDEGY-IBPBTGAJSA-N 1 0 247.386 2.091 20 10 BECDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H](C)[NH3+] ZINC000841076591 587944417 /nfs/dbraw/zinc/94/44/17/587944417.db2.gz JORFGIJWBWDGDR-NKWVEPMBSA-N 1 0 246.713 2.010 20 10 BECDRO Cc1cc(O)c(CN[C@@H]2CCCC[NH2+]C2)cc1C ZINC000841089549 587946013 /nfs/dbraw/zinc/94/60/13/587946013.db2.gz IFBOIEOKIBVPKQ-CQSZACIVSA-N 1 0 248.370 2.241 20 10 BECDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745117 587973480 /nfs/dbraw/zinc/97/34/80/587973480.db2.gz UQCDBNPNUUIQLY-SCZZXKLOSA-N 1 0 243.734 2.467 20 10 BECDRO C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745218 587973580 /nfs/dbraw/zinc/97/35/80/587973580.db2.gz OBBJSHYXIODPHX-HTQZYQBOSA-N 1 0 229.707 2.077 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)CO)c1ccc(Cl)cc1O ZINC000841755151 587974072 /nfs/dbraw/zinc/97/40/72/587974072.db2.gz OBBJSHYXIODPHX-JGVFFNPUSA-N 1 0 229.707 2.077 20 10 BECDRO CC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccccc1O ZINC000841758359 587974320 /nfs/dbraw/zinc/97/43/20/587974320.db2.gz GRHKCJMBVMTALY-QKCSRTOESA-N 1 0 235.327 2.346 20 10 BECDRO Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000843054493 588077307 /nfs/dbraw/zinc/07/73/07/588077307.db2.gz OHNMVDIGTBXESV-KGLIPLIRSA-N 1 0 246.354 2.027 20 10 BECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cocn1 ZINC000843057606 588077837 /nfs/dbraw/zinc/07/78/37/588077837.db2.gz FECULGJTZMLDAJ-UHFFFAOYSA-N 1 0 243.310 2.086 20 10 BECDRO Cc1cc(O)c(CN2C[C@@H](C)[NH2+]C[C@H]2C)cc1C ZINC000843119743 588083707 /nfs/dbraw/zinc/08/37/07/588083707.db2.gz GREFQDCXXWVRJW-CHWSQXEVSA-N 1 0 248.370 2.191 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000843428835 588108538 /nfs/dbraw/zinc/10/85/38/588108538.db2.gz NQYDNAKTJLPDSX-CQSZACIVSA-N 1 0 247.338 2.393 20 10 BECDRO C[C@@H](CCO)[N@H+](C)Cc1c(O)cccc1Cl ZINC000846111453 588257251 /nfs/dbraw/zinc/25/72/51/588257251.db2.gz PGEIAPCJCQUFMI-VIFPVBQESA-N 1 0 243.734 2.248 20 10 BECDRO COc1cccc([C@H](C)[NH2+]C2CC2)c1O ZINC000846139215 588258449 /nfs/dbraw/zinc/25/84/49/588258449.db2.gz XRNZZXKLTKJUTK-QMMMGPOBSA-N 1 0 207.273 2.214 20 10 BECDRO COc1cccc([C@H](C)[NH2+]CCF)c1O ZINC000846169308 588258964 /nfs/dbraw/zinc/25/89/64/588258964.db2.gz ZUCMKUNEYQYEOU-QMMMGPOBSA-N 1 0 213.252 2.021 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CCF)c(O)c1 ZINC000846209427 588260068 /nfs/dbraw/zinc/26/00/68/588260068.db2.gz QRXRFNPDEYNIRI-QWRGUYRKSA-N 1 0 241.306 2.072 20 10 BECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1O ZINC000848876719 588416390 /nfs/dbraw/zinc/41/63/90/588416390.db2.gz KMESCJGJKNPLMD-GFCCVEGCSA-N 1 0 249.354 2.159 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000848902072 588418556 /nfs/dbraw/zinc/41/85/56/588418556.db2.gz JJWYVDBZCRCJIK-WCQYABFASA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2CCOCC23CC3)c1O ZINC000848909637 588419288 /nfs/dbraw/zinc/41/92/88/588419288.db2.gz YPFSDVFRBNNOHN-UHFFFAOYSA-N 1 0 247.338 2.319 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1O ZINC000848906658 588419564 /nfs/dbraw/zinc/41/95/64/588419564.db2.gz XPZRJKIQQGQSCZ-BXUZGUMPSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1O ZINC000848915750 588419793 /nfs/dbraw/zinc/41/97/93/588419793.db2.gz ZSNSYWOAXJGOBA-SMDDNHRTSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+](C)[C@H](CC)CO)c1O ZINC000848914663 588420089 /nfs/dbraw/zinc/42/00/89/588420089.db2.gz QQQHWNSZAOEDIN-CYBMUJFWSA-N 1 0 237.343 2.157 20 10 BECDRO COc1ccc(CNCC2([NH3+])CCCC2)cc1C ZINC000849350023 588474855 /nfs/dbraw/zinc/47/48/55/588474855.db2.gz NIPIWGBWWSTPIA-UHFFFAOYSA-N 1 0 248.370 2.365 20 10 BECDRO Oc1cc2c(cc1C[NH2+][C@H]1[C@@H]3CCC[C@@H]31)OCO2 ZINC000850394033 588543779 /nfs/dbraw/zinc/54/37/79/588543779.db2.gz ZISRSAHQVTXFLT-MSRIBSCDSA-N 1 0 247.294 2.009 20 10 BECDRO CC[C@H]([NH2+]C/C=C\CO)c1ccc(N(C)C)cc1 ZINC000850506789 588553187 /nfs/dbraw/zinc/55/31/87/588553187.db2.gz BXGAEYSOJQYAHD-YVACAVLKSA-N 1 0 248.370 2.342 20 10 BECDRO CC[C@@H]([NH2+]C/C=C/CO)c1ccc(N(C)C)cc1 ZINC000850506787 588553271 /nfs/dbraw/zinc/55/32/71/588553271.db2.gz BXGAEYSOJQYAHD-LLYBFZRZSA-N 1 0 248.370 2.342 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]C/C=C/CO)c(O)c1 ZINC000850509080 588554577 /nfs/dbraw/zinc/55/45/77/588554577.db2.gz PBWLYZFYZJOKFS-ITKZLYELSA-N 1 0 235.327 2.208 20 10 BECDRO C[C@@H]([NH2+]C/C=C/CO)c1ccc(Cl)cc1O ZINC000850509784 588554666 /nfs/dbraw/zinc/55/46/66/588554666.db2.gz SNTFVHZAXCXZRC-GKQMSVHHSA-N 1 0 241.718 2.245 20 10 BECDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000850527876 588557237 /nfs/dbraw/zinc/55/72/37/588557237.db2.gz CMZJOEXBQZCFHV-WCBMZHEXSA-N 1 0 243.734 2.467 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c(O)c1 ZINC000850579074 588561849 /nfs/dbraw/zinc/56/18/49/588561849.db2.gz SJCCEBCQBHUXFJ-IJLUTSLNSA-N 1 0 235.327 2.183 20 10 BECDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000852558136 588690446 /nfs/dbraw/zinc/69/04/46/588690446.db2.gz HAGRFWFFCZMAJC-SWLSCSKDSA-N 1 0 248.370 2.098 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC000862443775 589213767 /nfs/dbraw/zinc/21/37/67/589213767.db2.gz TZYAHHYCDRNPON-TXEJJXNPSA-N 1 0 203.285 2.152 20 10 BECDRO CCc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC000862443802 589214007 /nfs/dbraw/zinc/21/40/07/589214007.db2.gz UPCZAYKSAFLWFM-BETUJISGSA-N 1 0 217.312 2.406 20 10 BECDRO Cc1cc(O)c(CN2CC3(C2)CCCO3)cc1C ZINC000862484696 589217026 /nfs/dbraw/zinc/21/70/26/589217026.db2.gz ZGEMTHMNYLHFEP-UHFFFAOYSA-N 1 0 247.338 2.374 20 10 BECDRO Cc1ccc(O)c(CN2CC3(C2)CCCO3)c1 ZINC000862484639 589217106 /nfs/dbraw/zinc/21/71/06/589217106.db2.gz XLFMCRXBFKWEJA-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000863546800 589297820 /nfs/dbraw/zinc/29/78/20/589297820.db2.gz MMIMAGVAJOTWFN-WCFLWFBJSA-N 1 0 234.343 2.183 20 10 BECDRO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1O ZINC000863545549 589297869 /nfs/dbraw/zinc/29/78/69/589297869.db2.gz UZJWVTAPQAGZCU-IJLUTSLNSA-N 1 0 234.343 2.183 20 10 BECDRO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000863546798 589297975 /nfs/dbraw/zinc/29/79/75/589297975.db2.gz MMIMAGVAJOTWFN-CYZMBNFOSA-N 1 0 234.343 2.183 20 10 BECDRO CN(CCCC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000863558698 589298926 /nfs/dbraw/zinc/29/89/26/589298926.db2.gz TWTDLFZWEAQBNI-UHFFFAOYSA-N 1 0 247.386 2.485 20 10 BECDRO C[C@H]([NH3+])CN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000863651176 589306674 /nfs/dbraw/zinc/30/66/74/589306674.db2.gz CJMOJLQJUJFVRY-SZZPACECSA-N 1 0 247.386 2.045 20 10 BECDRO Cc1cc(O)c(CN(C)C[C@@H](C)[NH3+])c(Cl)c1 ZINC000863652526 589307618 /nfs/dbraw/zinc/30/76/18/589307618.db2.gz UCYWWGPGYZQAQF-SECBINFHSA-N 1 0 242.750 2.133 20 10 BECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000119654110 589321725 /nfs/dbraw/zinc/32/17/25/589321725.db2.gz OWROGKJPCASIJZ-VIFPVBQESA-N 1 0 249.310 2.399 20 10 BECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000119654274 589321874 /nfs/dbraw/zinc/32/18/74/589321874.db2.gz OWROGKJPCASIJZ-SECBINFHSA-N 1 0 249.310 2.399 20 10 BECDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000865700131 589457569 /nfs/dbraw/zinc/45/75/69/589457569.db2.gz UZSQDXQXRDEWLO-TZMCWYRMSA-N 1 0 249.354 2.421 20 10 BECDRO Oc1ccccc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865874816 589466864 /nfs/dbraw/zinc/46/68/64/589466864.db2.gz JGEPYALPGSHYKD-OAHLLOKOSA-N 1 0 249.354 2.423 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CO)c(O)c1 ZINC000122021718 589550104 /nfs/dbraw/zinc/55/01/04/589550104.db2.gz YHWGWBLWFRHSBO-LLVKDONJSA-N 1 0 237.343 2.370 20 10 BECDRO CC(C)[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000123928178 589861921 /nfs/dbraw/zinc/86/19/21/589861921.db2.gz HJGJEGNMXFPNAQ-LBPRGKRZSA-N 1 0 243.734 2.152 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c(O)c1C ZINC000872125643 589876190 /nfs/dbraw/zinc/87/61/90/589876190.db2.gz DQRSTXFVAHNYIC-AVGNSLFASA-N 1 0 249.354 2.431 20 10 BECDRO Cc1ccc(O)c(CN[C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230422 590002204 /nfs/dbraw/zinc/00/22/04/590002204.db2.gz RFGHINZSBXEKTI-GJZGRUSLSA-N 1 0 246.354 2.075 20 10 BECDRO Cc1cccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230653 590003022 /nfs/dbraw/zinc/00/30/22/590003022.db2.gz VNTQVJMAZRXZFD-DZGCQCFKSA-N 1 0 246.354 2.075 20 10 BECDRO COC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019904833 590040767 /nfs/dbraw/zinc/04/07/67/590040767.db2.gz KCAXRGHWDRRXJE-ZJUUUORDSA-N 1 0 239.315 2.086 20 10 BECDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020087567 590071840 /nfs/dbraw/zinc/07/18/40/590071840.db2.gz QWPWURZKIMWJEA-GHMZBOCLSA-N 1 0 223.316 2.386 20 10 BECDRO COC[C@H]([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000124825569 590091317 /nfs/dbraw/zinc/09/13/17/590091317.db2.gz SIIIFMHHHVGYEC-ZDUSSCGKSA-N 1 0 237.343 2.461 20 10 BECDRO Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000876512687 590205949 /nfs/dbraw/zinc/20/59/49/590205949.db2.gz VZRBXRGWUGJIBP-RYUDHWBXSA-N 1 0 235.327 2.310 20 10 BECDRO CCCC[N@H+](CCO)Cc1ccc(C)cc1O ZINC000876528673 590208940 /nfs/dbraw/zinc/20/89/40/590208940.db2.gz VMNJBPIYCOEUOM-UHFFFAOYSA-N 1 0 237.343 2.295 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)Cc1cnn(C)c1 ZINC000876547949 590213963 /nfs/dbraw/zinc/21/39/63/590213963.db2.gz NXZSBOURYPOQIH-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO Cc1ccc(C[N@@H+](C)Cc2cnn(C)c2)c(O)c1 ZINC000876547880 590214092 /nfs/dbraw/zinc/21/40/92/590214092.db2.gz LRRKMSPEIFUZFI-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO CC[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876561322 590215903 /nfs/dbraw/zinc/21/59/03/590215903.db2.gz QYGZBQYSCCMNHY-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(CN2CC[NH+](C(C)C)CC2)c(O)c1 ZINC000876564292 590216425 /nfs/dbraw/zinc/21/64/25/590216425.db2.gz JHWGAPVYGCEBMM-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)C[C@H]1CCCO1 ZINC000876566870 590216898 /nfs/dbraw/zinc/21/68/98/590216898.db2.gz VUHUGFFZWFHSIC-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c(O)c1 ZINC000876693412 590231245 /nfs/dbraw/zinc/23/12/45/590231245.db2.gz DIZUHJCQVOFJFJ-CYBMUJFWSA-N 1 0 249.354 2.295 20 10 BECDRO CCN1CC[N@H+](Cc2ccc(C)cc2O)C[C@H]1C ZINC000876714927 590232807 /nfs/dbraw/zinc/23/28/07/590232807.db2.gz GIOZSFZUEJRVBS-CYBMUJFWSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(C[N@H+](CCCO)C2CC2)c(O)c1 ZINC000876731303 590234589 /nfs/dbraw/zinc/23/45/89/590234589.db2.gz HSBJIILLWVFCNU-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)c(O)c1 ZINC000876739312 590235231 /nfs/dbraw/zinc/23/52/31/590235231.db2.gz OAHLZAXCTZBZJW-VXGBXAGGSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCOC[C@@H](C)C1 ZINC000876752506 590237671 /nfs/dbraw/zinc/23/76/71/590237671.db2.gz RWVHFYWLPZGVFY-NSHDSACASA-N 1 0 235.327 2.169 20 10 BECDRO CCN1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1O ZINC000876881992 590252792 /nfs/dbraw/zinc/25/27/92/590252792.db2.gz WCCVBLLICDJCKO-CYBMUJFWSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCCn1ccnc1 ZINC000876884820 590253660 /nfs/dbraw/zinc/25/36/60/590253660.db2.gz KQWQVDUEPJZLQK-UHFFFAOYSA-N 1 0 245.326 2.077 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)c(O)c1 ZINC000876931183 590258354 /nfs/dbraw/zinc/25/83/54/590258354.db2.gz KTMUGMVBDKACRR-CMPLNLGQSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCCO1 ZINC000876971451 590262948 /nfs/dbraw/zinc/26/29/48/590262948.db2.gz ICJOLVQVVIITMF-LBPRGKRZSA-N 1 0 235.327 2.359 20 10 BECDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(C)cc1O ZINC000877026528 590270837 /nfs/dbraw/zinc/27/08/37/590270837.db2.gz BXEICXLLFNNMIM-AWEZNQCLSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1c(C)cccc1O ZINC000877024622 590270887 /nfs/dbraw/zinc/27/08/87/590270887.db2.gz JLWSHCVSTWUROI-YGRLFVJLSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCOC2)c(O)c1 ZINC000877039304 590272855 /nfs/dbraw/zinc/27/28/55/590272855.db2.gz JBUJLBOXIRUVGN-CQSZACIVSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC1(O)CCCC1 ZINC000877036809 590273057 /nfs/dbraw/zinc/27/30/57/590273057.db2.gz WCKSVHNCSAPLPB-UHFFFAOYSA-N 1 0 235.327 2.095 20 10 BECDRO CC[C@H](O)CCC[NH2+]Cc1c(C)cccc1O ZINC000877055252 590275185 /nfs/dbraw/zinc/27/51/85/590275185.db2.gz RATANBFNFZSVJF-LBPRGKRZSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1ccc(C[NH2+]Cc2cc(C)ncn2)c(O)c1 ZINC000877124611 590289711 /nfs/dbraw/zinc/28/97/11/590289711.db2.gz OYKFFJIZIJOPTF-UHFFFAOYSA-N 1 0 243.310 2.089 20 10 BECDRO Cc1c(C[NH2+]Cc2ccc(C)cc2O)cnn1C ZINC000877127991 590290140 /nfs/dbraw/zinc/29/01/40/590290140.db2.gz CSIAPNZAXQNGNW-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO Cc1ccc(C[NH2+]CCN2CC[C@@H](C)C2)c(O)c1 ZINC000877154754 590293675 /nfs/dbraw/zinc/29/36/75/590293675.db2.gz YUWNGMTZUAOWTI-CYBMUJFWSA-N 1 0 248.370 2.132 20 10 BECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000877406416 590324188 /nfs/dbraw/zinc/32/41/88/590324188.db2.gz XBQUDLJJHARTGT-OOPCZODUSA-N 1 0 235.327 2.117 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c(O)c1 ZINC000877407063 590324283 /nfs/dbraw/zinc/32/42/83/590324283.db2.gz MEYWLNFEZYYSJQ-QWHCGFSZSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c(O)c1 ZINC000877461857 590332875 /nfs/dbraw/zinc/33/28/75/590332875.db2.gz KZMMBYQSMCZFSA-AWEZNQCLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000877489190 590339278 /nfs/dbraw/zinc/33/92/78/590339278.db2.gz LETTVPJLGLICSI-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(CN(C)CC[NH+]2CCCC2)c(O)c1 ZINC000877524989 590346767 /nfs/dbraw/zinc/34/67/67/590346767.db2.gz NDHDCRBITWCFCU-UHFFFAOYSA-N 1 0 248.370 2.228 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](CO)C(C)C ZINC000877523800 590347224 /nfs/dbraw/zinc/34/72/24/590347224.db2.gz YYENNAOSFORSHR-LBPRGKRZSA-N 1 0 237.343 2.055 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)c(O)c1 ZINC000877542237 590351947 /nfs/dbraw/zinc/35/19/47/590351947.db2.gz QLZXDBXBRBIPDP-CYBMUJFWSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000877553078 590355527 /nfs/dbraw/zinc/35/55/27/590355527.db2.gz JAIWJPBITDQMSJ-DOMZBBRYSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCn3ccnc32)c(O)c1 ZINC000877557935 590358588 /nfs/dbraw/zinc/35/85/88/590358588.db2.gz ZBUPZKHPNCJEEN-LBPRGKRZSA-N 1 0 243.310 2.132 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CC2(C1)CCOCC2 ZINC000877581332 590365893 /nfs/dbraw/zinc/36/58/93/590365893.db2.gz XISNDLHODOFFDB-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO CCn1ccc(C[NH2+]Cc2c(C)cccc2O)n1 ZINC000877587036 590367702 /nfs/dbraw/zinc/36/77/02/590367702.db2.gz BSSOCLFMURAHFJ-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO Cc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)c(O)c1 ZINC000877585138 590367838 /nfs/dbraw/zinc/36/78/38/590367838.db2.gz ANODIZWAWLCWQV-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000877595158 590370126 /nfs/dbraw/zinc/37/01/26/590370126.db2.gz UAKHETPPBSMPIP-WCQYABFASA-N 1 0 249.354 2.151 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CC12CC2 ZINC000877597173 590370152 /nfs/dbraw/zinc/37/01/52/590370152.db2.gz BXTQHYGBZWMEIV-LBPRGKRZSA-N 1 0 203.285 2.343 20 10 BECDRO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C)c(O)c1 ZINC000877595837 590370383 /nfs/dbraw/zinc/37/03/83/590370383.db2.gz CZQZNEZHFUHMPU-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC12CC2 ZINC000877597172 590371239 /nfs/dbraw/zinc/37/12/39/590371239.db2.gz BXTQHYGBZWMEIV-GFCCVEGCSA-N 1 0 203.285 2.343 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000877615637 590375052 /nfs/dbraw/zinc/37/50/52/590375052.db2.gz USXWOEPPZQRXJE-PHIMTYICSA-N 1 0 239.265 2.398 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c(O)c1 ZINC000877631087 590377797 /nfs/dbraw/zinc/37/77/97/590377797.db2.gz DZOQSWZMNAYSIR-UONOGXRCSA-N 1 0 247.338 2.094 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000877646881 590384466 /nfs/dbraw/zinc/38/44/66/590384466.db2.gz MNWQTTKHZAANSZ-DGCLKSJQSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CC2(C1)CCCO2 ZINC000877654155 590385329 /nfs/dbraw/zinc/38/53/29/590385329.db2.gz WECCZIHUOLZXTQ-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(C)cc2O)C1 ZINC000877659964 590387040 /nfs/dbraw/zinc/38/70/40/590387040.db2.gz BXVLJCHMBWANBY-BJHJDKERSA-N 1 0 235.327 2.215 20 10 BECDRO CC[C@@]1(O)CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000877692000 590392431 /nfs/dbraw/zinc/39/24/31/590392431.db2.gz ZUNWCPZPZYKJGY-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO CCc1nocc1CN1Cc2cccc(O)c2C1 ZINC000877702809 590395584 /nfs/dbraw/zinc/39/55/84/590395584.db2.gz IJLQVSRPWNIZGN-UHFFFAOYSA-N 1 0 244.294 2.458 20 10 BECDRO Cn1ccc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703170 590396435 /nfs/dbraw/zinc/39/64/35/590396435.db2.gz UOKOABUXRYKLJJ-UHFFFAOYSA-N 1 0 228.295 2.247 20 10 BECDRO C[C@@H]1C[C@@H]1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703072 590396831 /nfs/dbraw/zinc/39/68/31/590396831.db2.gz PZBDWVGPBQULBN-MWLCHTKSSA-N 1 0 203.285 2.364 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](C)c2ccnn2C)c1O ZINC000877763223 590419215 /nfs/dbraw/zinc/41/92/15/590419215.db2.gz RBHSHOHUKXWITQ-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000877797342 590424784 /nfs/dbraw/zinc/42/47/84/590424784.db2.gz UFYGXRWXGHHTEO-CYBMUJFWSA-N 1 0 249.354 2.375 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccn(C)n1)c1ccccc1O ZINC000213106879 591449052 /nfs/dbraw/zinc/44/90/52/591449052.db2.gz XXIKKDRYQRSDHO-CYBMUJFWSA-N 1 0 245.326 2.367 20 10 BECDRO Cc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000132211495 591692699 /nfs/dbraw/zinc/69/26/99/591692699.db2.gz CXTCTUOUOUUVGD-KGLIPLIRSA-N 1 0 246.354 2.027 20 10 BECDRO COC[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000132313269 591700812 /nfs/dbraw/zinc/70/08/12/591700812.db2.gz SHZWTCHHHUBCSR-SECBINFHSA-N 1 0 246.401 2.250 20 10 BECDRO Oc1cccc(Cl)c1C[N@@H+]1CCCOCC1 ZINC000132726989 591733964 /nfs/dbraw/zinc/73/39/64/591733964.db2.gz ITYIODGGYJHOQW-UHFFFAOYSA-N 1 0 241.718 2.268 20 10 BECDRO C[C@@H]([NH2+]Cc1ccccc1O)C1CCOCC1 ZINC000134486624 591931679 /nfs/dbraw/zinc/93/16/79/591931679.db2.gz IEPGNVNKZGUSFW-LLVKDONJSA-N 1 0 235.327 2.297 20 10 BECDRO C[C@H]([NH2+]Cc1ccccc1O)C1CCOCC1 ZINC000134486602 591931893 /nfs/dbraw/zinc/93/18/93/591931893.db2.gz IEPGNVNKZGUSFW-NSHDSACASA-N 1 0 235.327 2.297 20 10 BECDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000134957909 591962992 /nfs/dbraw/zinc/96/29/92/591962992.db2.gz XJQQACHLYWFCSF-UWVGGRQHSA-N 1 0 249.310 2.351 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1C[C@@]12CCOC2)c1ccccc1O ZINC000886310279 592205559 /nfs/dbraw/zinc/20/55/59/592205559.db2.gz IKPMUSSJLXFZMN-LALPHHSUSA-N 1 0 247.338 2.469 20 10 BECDRO C[C@@]1([NH2+]Cc2ccccc2O)CCCOC1 ZINC000221356695 592415795 /nfs/dbraw/zinc/41/57/95/592415795.db2.gz VBBSFGPEIMDEJY-CYBMUJFWSA-N 1 0 221.300 2.051 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CCCOC2)cc1 ZINC000221360815 592418566 /nfs/dbraw/zinc/41/85/66/592418566.db2.gz BAXJDRRHJFZIFG-HNNXBMFYSA-N 1 0 248.370 2.411 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000300045467 592501717 /nfs/dbraw/zinc/50/17/17/592501717.db2.gz LHARBENHAACHOE-SECBINFHSA-N 1 0 241.718 2.266 20 10 BECDRO CC(C)N(C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000054111415 635393561 /nfs/dbraw/zinc/39/35/61/635393561.db2.gz KAGSTNRSSPPMDP-UHFFFAOYSA-N 1 0 248.370 2.051 20 10 BECDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C12CCC2 ZINC000308343747 631296444 /nfs/dbraw/zinc/29/64/44/631296444.db2.gz LPIQREKRZBNMSK-UONOGXRCSA-N 1 0 247.338 2.439 20 10 BECDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C12CCC2 ZINC000308343748 631296758 /nfs/dbraw/zinc/29/67/58/631296758.db2.gz LPIQREKRZBNMSK-ZIAGYGMSSA-N 1 0 247.338 2.439 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1 ZINC000089163513 631496693 /nfs/dbraw/zinc/49/66/93/631496693.db2.gz PGSXGMSLDDACCW-HIFRSBDPSA-N 1 0 248.370 2.003 20 10 BECDRO OC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000092470848 631555863 /nfs/dbraw/zinc/55/58/63/631555863.db2.gz LRQLQFALFDCLBE-LLVKDONJSA-N 1 0 241.718 2.002 20 10 BECDRO FCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000309271935 631979587 /nfs/dbraw/zinc/97/95/87/631979587.db2.gz RHLBGPDRXJKOBR-UHFFFAOYSA-N 1 0 223.291 2.461 20 10 BECDRO CCN1CC[N@H+](Cc2cccc(C)c2O)C[C@H]1C ZINC000252729268 635714266 /nfs/dbraw/zinc/71/42/66/635714266.db2.gz FYDCKMANKTWSBY-CYBMUJFWSA-N 1 0 248.370 2.227 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000309588188 632549642 /nfs/dbraw/zinc/54/96/42/632549642.db2.gz SUQNFVOCVMDPEO-BDAKNGLRSA-N 1 0 227.279 2.044 20 10 BECDRO CCC(O)(CC)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000069160665 632585496 /nfs/dbraw/zinc/58/54/96/632585496.db2.gz OBTBRESXLLGDMA-UHFFFAOYSA-N 1 0 249.354 2.262 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1O ZINC000310736283 632927005 /nfs/dbraw/zinc/92/70/05/632927005.db2.gz PINJLIGUOYNYOD-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO COc1cccc(C[NH2+][C@@H]2CC[C@H]2C)c1O ZINC000309392378 633007613 /nfs/dbraw/zinc/00/76/13/633007613.db2.gz FOZGJPUMTQVEOE-MWLCHTKSSA-N 1 0 221.300 2.289 20 10 BECDRO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311112397 633068505 /nfs/dbraw/zinc/06/85/05/633068505.db2.gz WYRVNFBPIQLAHK-IUODEOHRSA-N 1 0 249.354 2.376 20 10 BECDRO C[C@H](C[C@H](C)O)[NH2+]Cc1c(O)cccc1Cl ZINC000164559734 633079377 /nfs/dbraw/zinc/07/93/77/633079377.db2.gz JGYTWVXJDUFRLL-BDAKNGLRSA-N 1 0 243.734 2.295 20 10 BECDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccccc1O ZINC000164568723 633079806 /nfs/dbraw/zinc/07/98/06/633079806.db2.gz AFUCLBNMYZUPNF-VWYCJHECSA-N 1 0 223.316 2.202 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CSC1 ZINC000309448785 633083209 /nfs/dbraw/zinc/08/32/09/633083209.db2.gz KOOPKROWLCTGKV-UHFFFAOYSA-N 1 0 236.384 2.266 20 10 BECDRO C[C@@H](CF)[NH2+]Cc1cc(Cl)ccc1O ZINC000308519601 633745137 /nfs/dbraw/zinc/74/51/37/633745137.db2.gz QSRYJTNAFFEHFD-ZETCQYMHSA-N 1 0 217.671 2.493 20 10 BECDRO COC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628536 633837767 /nfs/dbraw/zinc/83/77/67/633837767.db2.gz HXOULDXHOUYKCJ-MNOVXSKESA-N 1 0 223.316 2.386 20 10 BECDRO COCC1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000895970055 636185573 /nfs/dbraw/zinc/18/55/73/636185573.db2.gz AQTMTCRQQUIBDI-UHFFFAOYSA-N 1 0 241.718 2.124 20 10 BECDRO CCOc1cccc(C[N@H+](C)C2CC2)c1O ZINC000179304722 636784871 /nfs/dbraw/zinc/78/48/71/636784871.db2.gz CUASACAUZGUMAM-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1C ZINC000040673078 636937477 /nfs/dbraw/zinc/93/74/77/636937477.db2.gz BZNDDAQBAOCHOK-AWEZNQCLSA-N 1 0 248.370 2.187 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1C ZINC000040673077 636938605 /nfs/dbraw/zinc/93/86/05/636938605.db2.gz BZNDDAQBAOCHOK-CQSZACIVSA-N 1 0 248.370 2.187 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CS1 ZINC000162935909 637229304 /nfs/dbraw/zinc/22/93/04/637229304.db2.gz LLOUFZOOHSVLJM-KOLCDFICSA-N 1 0 223.341 2.376 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCn2cccn2)c1 ZINC000042539422 637278232 /nfs/dbraw/zinc/27/82/32/637278232.db2.gz VEIMSMBBMHZYMO-GFCCVEGCSA-N 1 0 245.326 2.248 20 10 BECDRO CCOCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000036228980 640422556 /nfs/dbraw/zinc/42/25/56/640422556.db2.gz IUHKULTZCRVCPT-SNVBAGLBSA-N 1 0 239.315 2.088 20 10 BECDRO CC[C@@H]([NH2+]CC1(O)CCC1)c1ccccc1O ZINC000164048805 640438137 /nfs/dbraw/zinc/43/81/37/640438137.db2.gz DCPAZKGNDDEXHW-GFCCVEGCSA-N 1 0 235.327 2.348 20 10 BECDRO C[C@@H]([NH2+]C1CCOCC1)c1ccccc1O ZINC000036319507 640475596 /nfs/dbraw/zinc/47/55/96/640475596.db2.gz LVPMOSNWWOBLLT-SNVBAGLBSA-N 1 0 221.300 2.222 20 10 BECDRO C[C@H]([NH2+]CC1(CCO)CC1)c1ccccc1O ZINC000157457906 640684785 /nfs/dbraw/zinc/68/47/85/640684785.db2.gz SJKXMQLEHJNTFX-NSHDSACASA-N 1 0 235.327 2.205 20 10 BECDRO Cc1cc(C[NH2+]Cc2cc(F)ccc2O)on1 ZINC000226619610 640779926 /nfs/dbraw/zinc/77/99/26/640779926.db2.gz QUSDZBHKOLPELA-UHFFFAOYSA-N 1 0 236.246 2.118 20 10 BECDRO CO[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000227826425 640850506 /nfs/dbraw/zinc/85/05/06/640850506.db2.gz UGSKVKCVSBNJDF-STQMWFEESA-N 1 0 235.327 2.295 20 10 BECDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000228087774 640860435 /nfs/dbraw/zinc/86/04/35/640860435.db2.gz OGJIPWRILGUFGM-GUBZILKMSA-N 1 0 241.306 2.341 20 10 BECDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccccc1O ZINC000230150865 641032538 /nfs/dbraw/zinc/03/25/38/641032538.db2.gz GGKMMYVESVGHSB-MFKMUULPSA-N 1 0 221.300 2.049 20 10 BECDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1O ZINC000230410543 641052311 /nfs/dbraw/zinc/05/23/11/641052311.db2.gz LLDKQIUDHDZUJX-NWDGAFQWSA-N 1 0 235.327 2.469 20 10 BECDRO C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1O ZINC000313031857 641527256 /nfs/dbraw/zinc/52/72/56/641527256.db2.gz ZCNCJANKLNEUHZ-GWCFXTLKSA-N 1 0 235.327 2.468 20 10 BECDRO CCOC(C)(C)C[NH2+]Cc1cc(F)ccc1O ZINC000188865451 641771539 /nfs/dbraw/zinc/77/15/39/641771539.db2.gz NWSSSURRTOYVJP-UHFFFAOYSA-N 1 0 241.306 2.436 20 10 BECDRO CC[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1O ZINC000077453730 641858563 /nfs/dbraw/zinc/85/85/63/641858563.db2.gz STIBYNBGQADUCH-NSHDSACASA-N 1 0 243.734 2.296 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000154479441 642107935 /nfs/dbraw/zinc/10/79/35/642107935.db2.gz HFZYKSYZZMQDDS-CQSZACIVSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000305778324 642693437 /nfs/dbraw/zinc/69/34/37/642693437.db2.gz MHGAJZFXJDOCSX-GFCCVEGCSA-N 1 0 247.294 2.117 20 10 BECDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179576954 642730587 /nfs/dbraw/zinc/73/05/87/642730587.db2.gz QUXXBCZVROKWKP-DGCLKSJQSA-N 1 0 235.327 2.128 20 10 BECDRO C[C@]1(C[NH2+]Cc2cc(F)ccc2O)CCCO1 ZINC000180840506 642818756 /nfs/dbraw/zinc/81/87/56/642818756.db2.gz ULPYRLRBLIIOTK-CYBMUJFWSA-N 1 0 239.290 2.190 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000071408645 643142691 /nfs/dbraw/zinc/14/26/91/643142691.db2.gz JMGHIRCKCVHOBA-CYBMUJFWSA-N 1 0 246.354 2.027 20 10 BECDRO CO[C@H](C[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000733329074 643328048 /nfs/dbraw/zinc/32/80/48/643328048.db2.gz MCULTZYCRPJUAI-SNVBAGLBSA-N 1 0 249.232 2.059 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(F)ccc1O ZINC000186067974 643435292 /nfs/dbraw/zinc/43/52/92/643435292.db2.gz YZRSGAZIRQRZRX-WLTAIBSBSA-N 1 0 239.290 2.095 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccccc1O ZINC000044684215 643548369 /nfs/dbraw/zinc/54/83/69/643548369.db2.gz AJBIFKYLMBZFOV-VXGBXAGGSA-N 1 0 246.354 2.280 20 10 BECDRO CC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921704887 643757594 /nfs/dbraw/zinc/75/75/94/643757594.db2.gz NQUGDLPLKJEKKP-OAHLLOKOSA-N 1 0 249.354 2.262 20 10 BECDRO CC[C@H](O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921850256 643809031 /nfs/dbraw/zinc/80/90/31/643809031.db2.gz FMNKNXLSOPAFPD-AWEZNQCLSA-N 1 0 249.354 2.262 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](C)O ZINC000922160825 643880884 /nfs/dbraw/zinc/88/08/84/643880884.db2.gz XQVUYGZAVCYHJA-RISCZKNCSA-N 1 0 249.354 2.261 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2COC[C@H]2C)cc1C ZINC000922641788 644056607 /nfs/dbraw/zinc/05/66/07/644056607.db2.gz RESUFYWODLQUGW-YPMHNXCESA-N 1 0 235.327 2.134 20 10 BECDRO Cc1cc(CNCC2([NH3+])CCC2)ccc1N(C)C ZINC000923331406 644352308 /nfs/dbraw/zinc/35/23/08/644352308.db2.gz GPOYJMCNSWOJOX-UHFFFAOYSA-N 1 0 247.386 2.032 20 10 BECDRO CCC[N@H+](CCOC)Cc1ccccc1O ZINC000195156254 644362317 /nfs/dbraw/zinc/36/23/17/644362317.db2.gz HGSVDAQGSRQIIS-UHFFFAOYSA-N 1 0 223.316 2.251 20 10 BECDRO C[C@@H](O)CC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093481416 644692313 /nfs/dbraw/zinc/69/23/13/644692313.db2.gz CUEBHKNLJLSEGA-SECBINFHSA-N 1 0 243.734 2.248 20 10 BECDRO C[C@@H]([NH2+]CCn1cccn1)c1cc(F)ccc1O ZINC000094617856 644720543 /nfs/dbraw/zinc/72/05/43/644720543.db2.gz TWUGBZQMNBWWCA-SNVBAGLBSA-N 1 0 249.289 2.079 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1C ZINC000249839898 644742006 /nfs/dbraw/zinc/74/20/06/644742006.db2.gz FWELMNFXNUXWTQ-JSGCOSHPSA-N 1 0 249.354 2.212 20 10 BECDRO C[C@H]([NH2+][C@H](CCO)C1CC1)c1ccccc1O ZINC000783518252 644757023 /nfs/dbraw/zinc/75/70/23/644757023.db2.gz LINSZVVLXCXWMQ-GXFFZTMASA-N 1 0 235.327 2.204 20 10 BECDRO COC[C@@H]1CC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000840083736 644857460 /nfs/dbraw/zinc/85/74/60/644857460.db2.gz QWBNBYPEOOHSNO-ZDUSSCGKSA-N 1 0 235.327 2.230 20 10 BECDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984387 644994906 /nfs/dbraw/zinc/99/49/06/644994906.db2.gz RVHRXKWUEINOOZ-VXGBXAGGSA-N 1 0 234.343 2.185 20 10 BECDRO C[C@@H](O)C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835047254 645163169 /nfs/dbraw/zinc/16/31/69/645163169.db2.gz DQIYCDNMHYPUFV-URWSZGRFSA-N 1 0 248.370 2.078 20 10 BECDRO COc1cccc(O)c1C[NH2+]CC(C)(C)F ZINC000865653318 645721175 /nfs/dbraw/zinc/72/11/75/645721175.db2.gz DBPUAPDQAPAXAN-UHFFFAOYSA-N 1 0 227.279 2.239 20 10 BECDRO Cc1cc(C[NH2+][C@H]2COC[C@@H]2C)ccc1N(C)C ZINC000925434479 646281318 /nfs/dbraw/zinc/28/13/18/646281318.db2.gz LJEOUXZMKAYRIM-JSGCOSHPSA-N 1 0 248.370 2.186 20 10 BECDRO Cc1cc(C[NH2+][C@@H]2COC[C@@H]2C)ccc1N(C)C ZINC000925434478 646282049 /nfs/dbraw/zinc/28/20/49/646282049.db2.gz LJEOUXZMKAYRIM-GXTWGEPZSA-N 1 0 248.370 2.186 20 10 BECDRO C[C@@H]([NH2+]CCOC1CC1)c1ccccc1O ZINC000714976130 712502790 /nfs/dbraw/zinc/50/27/90/712502790.db2.gz UHNNVWUOXYALAD-SNVBAGLBSA-N 1 0 221.300 2.222 20 10 BECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(F)ccc1O ZINC000716853654 712578583 /nfs/dbraw/zinc/57/85/83/712578583.db2.gz QDXXRDNPBKIGEY-SKDRFNHKSA-N 1 0 241.306 2.170 20 10 BECDRO COc1cccc(O)c1C[NH2+]CC[C@H](C)F ZINC000382162027 710800808 /nfs/dbraw/zinc/80/08/08/710800808.db2.gz SXSFAAWIPCSWQS-VIFPVBQESA-N 1 0 227.279 2.239 20 10 BECDRO C[C@H]1COCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000398907368 710910704 /nfs/dbraw/zinc/91/07/04/710910704.db2.gz GMVIYHYGCVJTRI-JTQLQIEISA-N 1 0 239.290 2.142 20 10 BECDRO C[C@@H](O)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000383872003 710986220 /nfs/dbraw/zinc/98/62/20/710986220.db2.gz PXELIMDRMMRTJU-ZYHUDNBSSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)[C@@H]1C ZINC000386181616 711024583 /nfs/dbraw/zinc/02/45/83/711024583.db2.gz CHXUIHQZIXLUNE-JTNHKYCSSA-N 1 0 218.344 2.445 20 10 BECDRO CC[C@H]([NH2+]Cc1c(O)cccc1Cl)[C@@H](C)O ZINC000386748876 711035809 /nfs/dbraw/zinc/03/58/09/711035809.db2.gz GAMFWUPUPPDPJU-KCJUWKMLSA-N 1 0 243.734 2.295 20 10 BECDRO CCCN1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000389430831 711078936 /nfs/dbraw/zinc/07/89/36/711078936.db2.gz YDSDEJJMNBNXMV-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO COc1cccc(O)c1C[NH2+]CC1(C)CC1 ZINC000390499037 711121965 /nfs/dbraw/zinc/12/19/65/711121965.db2.gz TXQYXOSNBXPRQE-UHFFFAOYSA-N 1 0 221.300 2.291 20 10 BECDRO CC(C)[C@@H](CO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000394065817 711183279 /nfs/dbraw/zinc/18/32/79/711183279.db2.gz ZRSMTJSYXMJBBB-OLZOCXBDSA-N 1 0 249.354 2.234 20 10 BECDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](C)O ZINC000395294841 711207059 /nfs/dbraw/zinc/20/70/59/711207059.db2.gz DAEBPFSINKZYIQ-GZMMTYOYSA-N 1 0 243.734 2.295 20 10 BECDRO Cc1nocc1C[NH2+]Cc1cccc(C)c1O ZINC000397944574 711398175 /nfs/dbraw/zinc/39/81/75/711398175.db2.gz LMEYAPWRYPCYSY-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000398238833 711405650 /nfs/dbraw/zinc/40/56/50/711405650.db2.gz XSHNJCHDDLCTPQ-FZMZJTMJSA-N 1 0 247.338 2.279 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000384890470 711000583 /nfs/dbraw/zinc/00/05/83/711000583.db2.gz KSWLHTWBAGLMST-NQBHXWOUSA-N 1 0 235.327 2.356 20 10 BECDRO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000392453177 711148502 /nfs/dbraw/zinc/14/85/02/711148502.db2.gz HROGNEVVVRFLKR-DTWKUNHWSA-N 1 0 246.314 2.231 20 10 BECDRO CC1(C)C[C@@H]([NH2+]Cc2cc(F)ccc2O)CO1 ZINC000396516531 711222121 /nfs/dbraw/zinc/22/21/21/711222121.db2.gz FXJGXTCYZBGJIW-LLVKDONJSA-N 1 0 239.290 2.188 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000396520625 711222023 /nfs/dbraw/zinc/22/20/23/711222023.db2.gz DCXJDVMOPAGXLU-LBPRGKRZSA-N 1 0 235.327 2.358 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cc1 ZINC000396874091 711372160 /nfs/dbraw/zinc/37/21/60/711372160.db2.gz HQKKPZAHAUATBD-ZDUSSCGKSA-N 1 0 248.370 2.410 20 10 BECDRO C[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCOC1 ZINC000397160225 711377895 /nfs/dbraw/zinc/37/78/95/711377895.db2.gz SNQYIZVQNCCYFG-DOMZBBRYSA-N 1 0 247.338 2.396 20 10 BECDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000397125258 711378620 /nfs/dbraw/zinc/37/86/20/711378620.db2.gz AYXPGEFRRJEQBH-HNNXBMFYSA-N 1 0 247.338 2.138 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC2=CCOCC2)cc1 ZINC000397706092 711389624 /nfs/dbraw/zinc/38/96/24/711389624.db2.gz MOVJRIIULIPQCM-UHFFFAOYSA-N 1 0 246.354 2.189 20 10 BECDRO CN(C)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000397826185 711392881 /nfs/dbraw/zinc/39/28/81/711392881.db2.gz BCGXXPCBMKCRDU-GFCCVEGCSA-N 1 0 246.354 2.063 20 10 BECDRO Cc1ccc(CC[NH2+]Cc2ccccc2O)nc1 ZINC000399804733 711434761 /nfs/dbraw/zinc/43/47/61/711434761.db2.gz CMCRUEHOULBUIL-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1cn(C)nc1C[NH2+][C@H](C)c1ccccc1O ZINC000723486691 711512732 /nfs/dbraw/zinc/51/27/32/711512732.db2.gz HAFVRESMRNZJHV-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H](C)O ZINC000386727927 711649540 /nfs/dbraw/zinc/64/95/40/711649540.db2.gz UOMOFAXMQPIEJA-UMNHJUIQSA-N 1 0 223.316 2.202 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Cl)ccc1O ZINC000382311080 711659260 /nfs/dbraw/zinc/65/92/60/711659260.db2.gz QAJWTUTYIOFZIQ-NYRNMGCKSA-N 1 0 241.718 2.220 20 10 BECDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000136255349 711693101 /nfs/dbraw/zinc/69/31/01/711693101.db2.gz AUYUJLOGBJGYBB-WCQYABFASA-N 1 0 218.344 2.498 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000840918196 711709551 /nfs/dbraw/zinc/70/95/51/711709551.db2.gz DWRFISHDHRSWID-OAHLLOKOSA-N 1 0 248.370 2.018 20 10 BECDRO CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccccc1O ZINC000042544578 711808573 /nfs/dbraw/zinc/80/85/73/711808573.db2.gz LAPIFNHSMSHJQV-WCQYABFASA-N 1 0 234.343 2.137 20 10 BECDRO COc1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1C ZINC000161118776 711810637 /nfs/dbraw/zinc/81/06/37/711810637.db2.gz SXYLSOCSTXGCOQ-NSHDSACASA-N 1 0 237.343 2.253 20 10 BECDRO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1O ZINC000164736709 711825134 /nfs/dbraw/zinc/82/51/34/711825134.db2.gz NDLPHHMAKNRBAM-YPMHNXCESA-N 1 0 235.327 2.215 20 10 BECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000228406588 711834658 /nfs/dbraw/zinc/83/46/58/711834658.db2.gz JDAUOPCWOJTVMM-STQMWFEESA-N 1 0 235.327 2.439 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2ccncc2)c1 ZINC000071406581 711898353 /nfs/dbraw/zinc/89/83/53/711898353.db2.gz LEQLFAVTZZOXNH-UHFFFAOYSA-N 1 0 228.295 2.385 20 10 BECDRO Oc1cc2c(cc1C[NH2+]CC1=CCCC1)OCO2 ZINC000702326140 712047283 /nfs/dbraw/zinc/04/72/83/712047283.db2.gz OCOKMIDJONHADV-UHFFFAOYSA-N 1 0 247.294 2.321 20 10 BECDRO C[C@@H]([NH2+]CCOCCF)c1ccccc1O ZINC000702652953 712058703 /nfs/dbraw/zinc/05/87/03/712058703.db2.gz AQXXGSNEENTQDQ-SNVBAGLBSA-N 1 0 227.279 2.029 20 10 BECDRO CC1(O)CCC([NH2+]Cc2ccccc2O)CC1 ZINC000703002122 712063793 /nfs/dbraw/zinc/06/37/93/712063793.db2.gz DGZPDBXRLISLDB-UHFFFAOYSA-N 1 0 235.327 2.175 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C2CCC(C)(O)CC2)c1 ZINC000703616932 712081207 /nfs/dbraw/zinc/08/12/07/712081207.db2.gz WYTVDRFLMYAKAK-UHFFFAOYSA-N 1 0 249.354 2.484 20 10 BECDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000706291399 712144023 /nfs/dbraw/zinc/14/40/23/712144023.db2.gz UZTHFLRSXYSUDT-PHIMTYICSA-N 1 0 247.342 2.080 20 10 BECDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C2)cc1C ZINC000706499450 712148103 /nfs/dbraw/zinc/14/81/03/712148103.db2.gz WRUFQVOPZILXHN-JOCQHMNTSA-N 1 0 235.327 2.271 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000708725105 712197621 /nfs/dbraw/zinc/19/76/21/712197621.db2.gz ACKBQVNKQBKJDT-OTVXOJSOSA-N 1 0 248.370 2.267 20 10 BECDRO CC(C)n1ccnc1C[NH2+]Cc1ccccc1O ZINC000710324852 712251992 /nfs/dbraw/zinc/25/19/92/712251992.db2.gz JHDDILUQPSTYGI-UHFFFAOYSA-N 1 0 245.326 2.459 20 10 BECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1C=CCC1)OCO2 ZINC000711681190 712316501 /nfs/dbraw/zinc/31/65/01/712316501.db2.gz UPRZJOPIWJYTAJ-JTQLQIEISA-N 1 0 247.294 2.177 20 10 BECDRO CCOc1cccc(C[NH2+][C@H]2CC23CC3)c1O ZINC000715362343 712521802 /nfs/dbraw/zinc/52/18/02/712521802.db2.gz GGEKPRUHYVHTGL-LBPRGKRZSA-N 1 0 233.311 2.433 20 10 BECDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037196164 712552631 /nfs/dbraw/zinc/55/26/31/712552631.db2.gz LDTFCRLLDNXTPU-VXGBXAGGSA-N 1 0 236.359 2.438 20 10 BECDRO COCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037186345 712553042 /nfs/dbraw/zinc/55/30/42/712553042.db2.gz HIYDPTHDTIQFIY-NSHDSACASA-N 1 0 222.332 2.050 20 10 BECDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1O ZINC000379897855 712621830 /nfs/dbraw/zinc/62/18/30/712621830.db2.gz HJIDGGQIBDQXAC-MWLCHTKSSA-N 1 0 223.341 2.233 20 10 BECDRO OCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000717633545 712662039 /nfs/dbraw/zinc/66/20/39/712662039.db2.gz WKBWVXUZWRTRJH-LBPRGKRZSA-N 1 0 247.338 2.132 20 10 BECDRO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000038006267 712798670 /nfs/dbraw/zinc/79/86/70/712798670.db2.gz XZGLEXQZGVCPHP-LLVKDONJSA-N 1 0 244.342 2.327 20 10 BECDRO C[C@@H](C[NH2+]Cc1ccccc1O)N1CCCCC1 ZINC000038028364 712799787 /nfs/dbraw/zinc/79/97/87/712799787.db2.gz MDZLYNJZPCFBQH-ZDUSSCGKSA-N 1 0 248.370 2.356 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2CCN(C)[C@@H]2C)c1O ZINC000719647121 712820061 /nfs/dbraw/zinc/82/00/61/712820061.db2.gz ZBZHKFVLTIDMTJ-RISCZKNCSA-N 1 0 248.370 2.137 20 10 BECDRO C[C@@H]1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1C ZINC000719648752 712820893 /nfs/dbraw/zinc/82/08/93/712820893.db2.gz RRJHJAQFKUCSQQ-WXHSDQCUSA-N 1 0 246.354 2.062 20 10 BECDRO C[C@H]([NH2+]CCF)c1cc(F)cc(F)c1[O-] ZINC000380309166 712873629 /nfs/dbraw/zinc/87/36/29/712873629.db2.gz GLIFYPVRGKPSTE-LURJTMIESA-N 1 0 219.206 2.291 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000720940139 712881082 /nfs/dbraw/zinc/88/10/82/712881082.db2.gz MXMXFKJMWHUHAU-IJLUTSLNSA-N 1 0 235.327 2.122 20 10 BECDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC000128443281 1166062406 /nfs/dbraw/zinc/06/24/06/1166062406.db2.gz HUOJUYAULVJSQS-GXSJLCMTSA-N 1 0 221.300 2.376 20 10 BECDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC000128442341 1166062492 /nfs/dbraw/zinc/06/24/92/1166062492.db2.gz NNGQIDNNKQOLKW-MWLCHTKSSA-N 1 0 221.300 2.376 20 10 BECDRO CCCCC[C@@H](O)C[NH2+]Cc1ccccc1O ZINC001253549195 969221523 /nfs/dbraw/zinc/22/15/23/969221523.db2.gz OJGPHDYJJJNQAR-CYBMUJFWSA-N 1 0 237.343 2.423 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2ccc(N)cc2)[C@@H](C)C1 ZINC000310035760 1167342201 /nfs/dbraw/zinc/34/22/01/1167342201.db2.gz KTYUTTRYVXYUMF-FZMZJTMJSA-N 1 0 234.343 2.268 20 10 BECDRO CC[N@H+](CCCCCO)Cc1ccccc1O ZINC001236045500 979335234 /nfs/dbraw/zinc/33/52/34/979335234.db2.gz VFTKBWUTYAWKSR-UHFFFAOYSA-N 1 0 237.343 2.377 20 10 BECDRO [NH3+]Cc1cccc(NCc2ccc(O)c(O)c2)c1 ZINC001169992239 1168505988 /nfs/dbraw/zinc/50/59/88/1168505988.db2.gz AEVNLWRKWGOIND-UHFFFAOYSA-N 1 0 244.294 2.169 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)c1 ZINC000877605160 1168927272 /nfs/dbraw/zinc/92/72/72/1168927272.db2.gz OCDDOKXXQFIQBP-HIFRSBDPSA-N 1 0 247.338 2.311 20 10 BECDRO COCC1(C[NH2+]Cc2cc(C)ccc2O)CC1 ZINC000691807849 1169290185 /nfs/dbraw/zinc/29/01/85/1169290185.db2.gz RIXWLWRHTGLTLS-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO CN1CCCc2cc(C[NH+]3CCC3)ccc21 ZINC001138354092 1169353834 /nfs/dbraw/zinc/35/38/34/1169353834.db2.gz VEYPRGJKQZTOBB-UHFFFAOYSA-N 1 0 216.328 2.275 20 10 BECDRO C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC001327840231 972753371 /nfs/dbraw/zinc/75/33/71/972753371.db2.gz MZFZULOGMYHOTE-UWVGGRQHSA-N 1 0 240.322 2.037 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CO1 ZINC000402217286 970770334 /nfs/dbraw/zinc/77/03/34/970770334.db2.gz MVGZYIMWAYNHAS-GZMMTYOYSA-N 1 0 241.718 2.313 20 10 BECDRO C[C@@H]1CC[NH2+]CC[C@H]1OCc1ccc(N)cc1 ZINC001217781903 971405086 /nfs/dbraw/zinc/40/50/86/971405086.db2.gz NWGIAIWKUIDJHW-BXUZGUMPSA-N 1 0 234.343 2.174 20 10 BECDRO C[C@H]1CC[NH2+]CC[C@@H]1OCc1ccc(N)cc1 ZINC001217781904 971405745 /nfs/dbraw/zinc/40/57/45/971405745.db2.gz NWGIAIWKUIDJHW-FZMZJTMJSA-N 1 0 234.343 2.174 20 10 BECDRO Nc1ccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001218092812 971597977 /nfs/dbraw/zinc/59/79/77/971597977.db2.gz RXYSHBRHMMMBFB-KGLIPLIRSA-N 1 0 232.327 2.180 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)C1CCC1)CC2 ZINC000315763279 972250628 /nfs/dbraw/zinc/25/06/28/972250628.db2.gz CTPFCODAHALZLI-GXTWGEPZSA-N 1 0 247.338 2.130 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCOCC2)cc1 ZINC000086870029 957738517 /nfs/dbraw/zinc/73/85/17/957738517.db2.gz RAZOCTNMWYLYEX-AWEZNQCLSA-N 1 0 248.370 2.411 20 10 BECDRO CCC[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141139531 960384461 /nfs/dbraw/zinc/38/44/61/960384461.db2.gz WOUJKDHVZYXXCI-UHFFFAOYSA-N 1 0 234.343 2.357 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@](C)(O)C2)c1 ZINC001140617133 960462068 /nfs/dbraw/zinc/46/20/68/960462068.db2.gz GVHWDSBAQCHXAW-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1 ZINC001140622737 960467733 /nfs/dbraw/zinc/46/77/33/960467733.db2.gz FEODFKWYFGJLFQ-UXIGCNINSA-N 1 0 247.338 2.167 20 10 BECDRO CC(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140623951 960467937 /nfs/dbraw/zinc/46/79/37/960467937.db2.gz YTNRMPMSMXNMJK-LBPRGKRZSA-N 1 0 233.311 2.112 20 10 BECDRO CC[NH+](CC)Cc1ccc(O)c(C)c1O ZINC001140742447 960543636 /nfs/dbraw/zinc/54/36/36/960543636.db2.gz OLJQUAZTZKJKGV-UHFFFAOYSA-N 1 0 209.289 2.248 20 10 BECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]2CF)c1O ZINC001140750954 960552634 /nfs/dbraw/zinc/55/26/34/960552634.db2.gz DPLALDWKYARUQH-LLVKDONJSA-N 1 0 239.290 2.340 20 10 BECDRO C[N@H+](Cc1cnco1)Cc1ccccc1O ZINC001140933934 960717122 /nfs/dbraw/zinc/71/71/22/960717122.db2.gz NFWSKMIXNNVZRC-UHFFFAOYSA-N 1 0 218.256 2.012 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001140948184 960740483 /nfs/dbraw/zinc/74/04/83/960740483.db2.gz WYTLMSJTMFOEMJ-WFASDCNBSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)c1 ZINC001140958220 960754400 /nfs/dbraw/zinc/75/44/00/960754400.db2.gz USFCOHPFZZPORT-XYYAHUGASA-N 1 0 235.302 2.348 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(O)c1 ZINC001140954231 960754923 /nfs/dbraw/zinc/75/49/23/960754923.db2.gz NQEADFSMEDEKMY-AWEZNQCLSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(O)c1 ZINC001140958120 960757286 /nfs/dbraw/zinc/75/72/86/960757286.db2.gz QZHMBIAZYLBARZ-UXIGCNINSA-N 1 0 247.338 2.167 20 10 BECDRO Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c(O)c1 ZINC001140950987 960757347 /nfs/dbraw/zinc/75/73/47/960757347.db2.gz RWZPTAAQGVIMHV-WCQYABFASA-N 1 0 235.327 2.046 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001140954763 960763324 /nfs/dbraw/zinc/76/33/24/960763324.db2.gz YIKFXUUZCIBWEN-CHWSQXEVSA-N 1 0 233.311 2.064 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCC3(CC3)C2)c1 ZINC001141156716 960889846 /nfs/dbraw/zinc/88/98/46/960889846.db2.gz RTHHLEDTHMGQBK-UHFFFAOYSA-N 1 0 219.284 2.084 20 10 BECDRO CC[N@H+](Cc1cc(O)ccc1O)C(C)C ZINC001141155629 960890205 /nfs/dbraw/zinc/89/02/05/960890205.db2.gz BYFUELIZZPEKLF-UHFFFAOYSA-N 1 0 209.289 2.328 20 10 BECDRO C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156538 960892230 /nfs/dbraw/zinc/89/22/30/960892230.db2.gz ZNMQYKPZEIUHMK-SNVBAGLBSA-N 1 0 221.300 2.330 20 10 BECDRO CC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156441 960893234 /nfs/dbraw/zinc/89/32/34/960893234.db2.gz XXLADOMXTLNAST-UHFFFAOYSA-N 1 0 221.300 2.330 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC001141159955 960896974 /nfs/dbraw/zinc/89/69/74/960896974.db2.gz NCRFFVGWCFFXHA-SNVBAGLBSA-N 1 0 239.290 2.279 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1 ZINC001141162522 960907424 /nfs/dbraw/zinc/90/74/24/960907424.db2.gz VPEUSIPCHJZQSR-SKDRFNHKSA-N 1 0 219.284 2.082 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2ccc(N)cc2)CCCO1 ZINC000302288127 962201297 /nfs/dbraw/zinc/20/12/97/962201297.db2.gz CTSLUIGZZJNHTI-CQSZACIVSA-N 1 0 234.343 2.270 20 10 BECDRO CCN(CC)c1ccc(CN2CC(C)([NH3+])C2)cc1 ZINC001204966080 962987543 /nfs/dbraw/zinc/98/75/43/962987543.db2.gz PZJNDRMKZHPSST-UHFFFAOYSA-N 1 0 247.386 2.066 20 10 BECDRO CC(C)c1ccc(CN2CC(C)([NH3+])C2)c(O)c1 ZINC001204993763 963391685 /nfs/dbraw/zinc/39/16/85/963391685.db2.gz MKOPCSPQGDFQDF-UHFFFAOYSA-N 1 0 234.343 2.049 20 10 BECDRO Nc1ccc(NC=CC2CC[NH2+]CC2)cc1 ZINC001159485271 964111920 /nfs/dbraw/zinc/11/19/20/964111920.db2.gz JPFHACXKOGURSJ-JXMROGBWSA-N 1 0 217.316 2.194 20 10 BECDRO Nc1ccc(Nc2ccc3c(c2)C[C@@H]([NH3+])C3)cc1 ZINC001159827345 964209779 /nfs/dbraw/zinc/20/97/79/964209779.db2.gz MTNGVYBOTSFCMO-ZDUSSCGKSA-N 1 0 239.322 2.438 20 10 BECDRO CCc1cccc(C[NH2+][C@H](C)COC)c1O ZINC000691480537 964515953 /nfs/dbraw/zinc/51/59/53/964515953.db2.gz JPQBLDMVXQAYTL-SNVBAGLBSA-N 1 0 223.316 2.079 20 10 BECDRO CCC(CC)[NH2+]CCc1ccc(O)c(O)c1 ZINC001257287478 1169863832 /nfs/dbraw/zinc/86/38/32/1169863832.db2.gz XHOHFYLRJDCMKL-UHFFFAOYSA-N 1 0 223.316 2.419 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2COC[C@H]2C)c1 ZINC000699788446 966088611 /nfs/dbraw/zinc/08/86/11/966088611.db2.gz NWCIIOWGAGDNBS-MDZLAQPJSA-N 1 0 235.327 2.386 20 10 BECDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cc(F)ccc1O ZINC000699811821 966099038 /nfs/dbraw/zinc/09/90/38/966099038.db2.gz YJCQPLRKDRZQND-VDDIYKPWSA-N 1 0 239.290 2.217 20 10 BECDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cc(F)ccc1O ZINC000699811817 966099446 /nfs/dbraw/zinc/09/94/46/966099446.db2.gz YJCQPLRKDRZQND-HOTUBEGUSA-N 1 0 239.290 2.217 20 10 BECDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000699837633 966128011 /nfs/dbraw/zinc/12/80/11/966128011.db2.gz OUTNMJXJBMIRIW-TYNCELHUSA-N 1 0 248.370 2.438 20 10 BECDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000699837629 966129483 /nfs/dbraw/zinc/12/94/83/966129483.db2.gz OUTNMJXJBMIRIW-SLEUVZQESA-N 1 0 248.370 2.438 20 10 BECDRO C=Cn1cc(C[NH2+]Cc2cc(C)ccc2O)cn1 ZINC001206715552 966280899 /nfs/dbraw/zinc/28/08/99/966280899.db2.gz UVMWPHQFIDSCRS-UHFFFAOYSA-N 1 0 243.310 2.287 20 10 BECDRO CC(C)(C)c1cccc(CN2CC[C@@H]([NH3+])C2)c1O ZINC001236169779 966286255 /nfs/dbraw/zinc/28/62/55/966286255.db2.gz GAEYMUJSXZJWQB-GFCCVEGCSA-N 1 0 248.370 2.223 20 10 BECDRO [NH3+][C@@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001236173654 966300503 /nfs/dbraw/zinc/30/05/03/966300503.db2.gz ORRBCXBUPOQKQH-CYBMUJFWSA-N 1 0 242.322 2.078 20 10 BECDRO C[NH2+]Cc1cccc(Nc2ccc(N)cn2)c1 ZINC001167033591 966527864 /nfs/dbraw/zinc/52/78/64/966527864.db2.gz ZBZWCUOXTMZUNX-UHFFFAOYSA-N 1 0 228.299 2.127 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@]23CCOC3)c(O)c1 ZINC001236786693 966534635 /nfs/dbraw/zinc/53/46/35/966534635.db2.gz DQYSYEDPZHPROI-OAHLLOKOSA-N 1 0 247.338 2.319 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC001237485401 966664368 /nfs/dbraw/zinc/66/43/68/966664368.db2.gz OYJDIYOHJONIMU-QWHCGFSZSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CC[C@@]1(C)O ZINC001203550364 966679172 /nfs/dbraw/zinc/67/91/72/966679172.db2.gz TWQILBFSKIMRGC-SWLSCSKDSA-N 1 0 249.354 2.375 20 10 BECDRO C[C@@]1(CO)CCC[N@H+](Cc2ccccc2O)CC1 ZINC001203550554 966679775 /nfs/dbraw/zinc/67/97/75/966679775.db2.gz ZCHPWNKVNIDMDO-OAHLLOKOSA-N 1 0 249.354 2.377 20 10 BECDRO Oc1ccccc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001203558617 966689040 /nfs/dbraw/zinc/68/90/40/966689040.db2.gz PTLHIAFWOBWYAI-CNDDSTCGSA-N 1 0 221.275 2.040 20 10 BECDRO COc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001203586137 966699970 /nfs/dbraw/zinc/69/99/70/966699970.db2.gz ZJSBSANMCFKDTF-KOLCDFICSA-N 1 0 239.290 2.333 20 10 BECDRO COc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(O)c1 ZINC001203634753 966715968 /nfs/dbraw/zinc/71/59/68/966715968.db2.gz UDIPMOJVYGVEBW-MFKMUULPSA-N 1 0 233.311 2.385 20 10 BECDRO C[N@@H+](Cc1cc(Cl)ccc1O)CC1COC1 ZINC001203664297 966731409 /nfs/dbraw/zinc/73/14/09/966731409.db2.gz WVHGUFXTLFOTCW-UHFFFAOYSA-N 1 0 241.718 2.124 20 10 BECDRO C[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874326 966792601 /nfs/dbraw/zinc/79/26/01/966792601.db2.gz UEDHNWZZMTUKFZ-SNVBAGLBSA-N 1 0 221.300 2.330 20 10 BECDRO CC[N@H+](Cc1ccc(O)c(O)c1)C(C)C ZINC001203873349 966801321 /nfs/dbraw/zinc/80/13/21/966801321.db2.gz DSZUYWPWMCHXDY-UHFFFAOYSA-N 1 0 209.289 2.328 20 10 BECDRO CC[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883636 966808817 /nfs/dbraw/zinc/80/88/17/966808817.db2.gz KYLCLJCBISAUIL-SNVBAGLBSA-N 1 0 221.300 2.330 20 10 BECDRO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1O ZINC001203880362 966808931 /nfs/dbraw/zinc/80/89/31/966808931.db2.gz PJESWLKCHLIBMD-DCAQKATOSA-N 1 0 237.274 2.030 20 10 BECDRO CCO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937116 966823641 /nfs/dbraw/zinc/82/36/41/966823641.db2.gz LMASNPUZODFNIR-OAHLLOKOSA-N 1 0 248.370 2.363 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@H](F)CC2)c(O)c1 ZINC001204276069 966950061 /nfs/dbraw/zinc/95/00/61/966950061.db2.gz FLUSNKBOGOQRRK-NSHDSACASA-N 1 0 239.290 2.422 20 10 BECDRO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(O)c1 ZINC001204279945 966957684 /nfs/dbraw/zinc/95/76/84/966957684.db2.gz FWZLVXVMQVRDSP-NHCYSSNCSA-N 1 0 237.274 2.030 20 10 BECDRO Oc1ccc(C[N@H+](CC2CC2)C2CC2)c(O)c1 ZINC001204277387 966960889 /nfs/dbraw/zinc/96/08/89/966960889.db2.gz CEMIGLHVYBDRPN-UHFFFAOYSA-N 1 0 233.311 2.472 20 10 BECDRO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc(O)c1O ZINC001204346747 966975694 /nfs/dbraw/zinc/97/56/94/966975694.db2.gz YFBDFDRVPPQTTK-GXSJLCMTSA-N 1 0 249.310 2.091 20 10 BECDRO Oc1cccc(Nc2ccc3c[nH+]cn3c2)c1O ZINC001250328227 967709453 /nfs/dbraw/zinc/70/94/53/967709453.db2.gz IVTFDIYWLUWUFC-UHFFFAOYSA-N 1 0 241.250 2.489 20 10 BECDRO C[N@H+](Cc1cnoc1)Cc1ccccc1O ZINC001205724736 967804328 /nfs/dbraw/zinc/80/43/28/967804328.db2.gz YGUFMMAVJNWTBR-UHFFFAOYSA-N 1 0 218.256 2.012 20 10 BECDRO C[C@H](O)C1([NH2+]Cc2ccc(Cl)cc2O)CC1 ZINC001206743439 968451835 /nfs/dbraw/zinc/45/18/35/968451835.db2.gz SVYJQKJMLXUXIV-QMMMGPOBSA-N 1 0 241.718 2.049 20 10 BECDRO Oc1cccc2c1C[N@H+](C[C@H]1CCCCO1)CC2 ZINC001207958447 968955320 /nfs/dbraw/zinc/95/53/20/968955320.db2.gz DMEUJURSZQLTKX-CYBMUJFWSA-N 1 0 247.338 2.319 20 10 BECDRO C[C@H]1C[C@H]1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001209434347 969506487 /nfs/dbraw/zinc/50/64/87/969506487.db2.gz YBIGTXODZKBKGT-JQWIXIFHSA-N 1 0 217.312 2.406 20 10 BECDRO Oc1cccc2c1C[N@H+](Cc1cncs1)CC2 ZINC001209549804 969537468 /nfs/dbraw/zinc/53/74/68/969537468.db2.gz LTRDKTLGMFNDNZ-UHFFFAOYSA-N 1 0 246.335 2.407 20 10 BECDRO O=C1C[C@@H]2CC([NH2+]Cc3ccccc3O)C[C@H]2C1 ZINC001254921730 969821566 /nfs/dbraw/zinc/82/15/66/969821566.db2.gz GHBBFUJJKFRFLH-RYUDHWBXSA-N 1 0 245.322 2.240 20 10 BECDRO CCc1cccc(C[NH2+]C2CCN(C)CC2)c1O ZINC000691460059 969958863 /nfs/dbraw/zinc/95/88/63/969958863.db2.gz PKMPCADPESSIRW-UHFFFAOYSA-N 1 0 248.370 2.138 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000691459583 969959720 /nfs/dbraw/zinc/95/97/20/969959720.db2.gz KRJZEJBKUCZGGA-KBPBESRZSA-N 1 0 249.354 2.348 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2CO[C@H](C)C2)c1O ZINC000691483523 970007480 /nfs/dbraw/zinc/00/74/80/970007480.db2.gz QDSQVDDXVMAOJH-MFKMUULPSA-N 1 0 235.327 2.222 20 10 BECDRO C[C@@H]([NH2+]Cc1cnns1)c1ccccc1O ZINC000400227256 970561933 /nfs/dbraw/zinc/56/19/33/970561933.db2.gz MMCJOCRCYCASOU-MRVPVSSYSA-N 1 0 235.312 2.095 20 10 BECDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCCOC1 ZINC000401592654 970711262 /nfs/dbraw/zinc/71/12/62/970711262.db2.gz XUFGUFACOVPNDR-LBPRGKRZSA-N 1 0 239.290 2.142 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CO1 ZINC000401822502 970733036 /nfs/dbraw/zinc/73/30/36/970733036.db2.gz FEVMILJOSCLILR-YPMHNXCESA-N 1 0 234.343 2.020 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CO1 ZINC000401822500 970733988 /nfs/dbraw/zinc/73/39/88/970733988.db2.gz FEVMILJOSCLILR-WCQYABFASA-N 1 0 234.343 2.020 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CO1 ZINC000402055479 970759970 /nfs/dbraw/zinc/75/99/70/970759970.db2.gz RDOZBQMQHBNPJM-YUSALJHKSA-N 1 0 233.311 2.147 20 10 BECDRO C[C@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500592 972847134 /nfs/dbraw/zinc/84/71/34/972847134.db2.gz WCTFDTIESCXTEZ-VIFPVBQESA-N 1 0 237.299 2.178 20 10 BECDRO CCCC[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144500386 972847969 /nfs/dbraw/zinc/84/79/69/972847969.db2.gz SVNSEJLGDNBAAX-UHFFFAOYSA-N 1 0 225.288 2.035 20 10 BECDRO CCC(CC)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514442 972858942 /nfs/dbraw/zinc/85/89/42/972858942.db2.gz DRSCJQSUNUCZCU-UHFFFAOYSA-N 1 0 239.315 2.424 20 10 BECDRO Nc1ccc(C[N@H+](CCO)C2CCCCC2)cc1 ZINC000044414774 973746698 /nfs/dbraw/zinc/74/66/98/973746698.db2.gz YLVKRRPWMNFABI-UHFFFAOYSA-N 1 0 248.370 2.396 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCSC1)CC2 ZINC000390801478 973943404 /nfs/dbraw/zinc/94/34/04/973943404.db2.gz ZLEGRYXTWQJXRW-QWRGUYRKSA-N 1 0 235.352 2.475 20 10 BECDRO CC1(C)C[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CO1 ZINC001172294127 974561639 /nfs/dbraw/zinc/56/16/39/974561639.db2.gz VGAGBKKOCLTVRT-GFCCVEGCSA-N 1 0 247.338 2.318 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c(O)c1 ZINC001331074674 974589213 /nfs/dbraw/zinc/58/92/13/974589213.db2.gz GNFFJERYTJVJED-HNNXBMFYSA-N 1 0 247.338 2.047 20 10 BECDRO COC1(C[N@@H+]2Cc3cccc(O)c3C2)CCC1 ZINC001331083224 974594795 /nfs/dbraw/zinc/59/47/95/974594795.db2.gz KXYINIQIMVEYCF-UHFFFAOYSA-N 1 0 233.311 2.277 20 10 BECDRO CCOCC[C@H](C)[NH2+]Cc1ccccc1O ZINC001172409277 974670594 /nfs/dbraw/zinc/67/05/94/974670594.db2.gz SXYDQNRZYXWSAA-NSHDSACASA-N 1 0 223.316 2.297 20 10 BECDRO CCOCC[C@@H](C)[NH2+]Cc1cccc(O)c1O ZINC001172418592 974691930 /nfs/dbraw/zinc/69/19/30/974691930.db2.gz FHWOURSFSADBGD-SNVBAGLBSA-N 1 0 239.315 2.003 20 10 BECDRO Oc1cc(F)cc(F)c1Nc1cc[nH+]cc1 ZINC001173882677 975945005 /nfs/dbraw/zinc/94/50/05/975945005.db2.gz OLIDWZKUVXPNKD-UHFFFAOYSA-N 1 0 222.194 2.231 20 10 BECDRO CC(=O)c1cccc(Nc2cc[nH+]c(C)c2)c1O ZINC001174656215 976948054 /nfs/dbraw/zinc/94/80/54/976948054.db2.gz HIGGUUPDPMFOLA-UHFFFAOYSA-N 1 0 242.278 2.464 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC001336117409 977519053 /nfs/dbraw/zinc/51/90/53/977519053.db2.gz MJCWMBFUHQSCLX-KBPBESRZSA-N 1 0 246.354 2.127 20 10 BECDRO C[N@H+](Cc1c(O)ccc2ccccc21)C1COC1 ZINC001231589402 977632969 /nfs/dbraw/zinc/63/29/69/977632969.db2.gz GINZGGXEEHDYID-UHFFFAOYSA-N 1 0 243.306 2.376 20 10 BECDRO CC1(O)C[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC001231588214 977634393 /nfs/dbraw/zinc/63/43/93/977634393.db2.gz NFLCMINUOQVBPG-UHFFFAOYSA-N 1 0 243.306 2.112 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c1O ZINC001231594186 977639747 /nfs/dbraw/zinc/63/97/47/977639747.db2.gz VUIUMQGWHOJUSA-HNNXBMFYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c1O ZINC001231591630 977643453 /nfs/dbraw/zinc/64/34/53/977643453.db2.gz IXWWLLWEWPGZRF-OAHLLOKOSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCC[C@@H](O)C2)c1O ZINC001231591273 977643648 /nfs/dbraw/zinc/64/36/48/977643648.db2.gz YNBYPYXSRLUXCF-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO CC(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231594036 977644102 /nfs/dbraw/zinc/64/41/02/977644102.db2.gz BXBDWMIQMYCTRN-LBPRGKRZSA-N 1 0 233.311 2.112 20 10 BECDRO CCC[N@H+](CC)Cc1cc(OC)c(O)cc1O ZINC001231634092 977654004 /nfs/dbraw/zinc/65/40/04/977654004.db2.gz IABFELYKRAYURY-UHFFFAOYSA-N 1 0 239.315 2.338 20 10 BECDRO COCC1C[NH+](Cc2c(C)cc(C)cc2O)C1 ZINC001231842538 977760263 /nfs/dbraw/zinc/76/02/63/977760263.db2.gz NYZNZOLEYIRSKL-UHFFFAOYSA-N 1 0 235.327 2.087 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC001231842892 977760606 /nfs/dbraw/zinc/76/06/06/977760606.db2.gz QEEWBSCLUGSAMD-ZDUSSCGKSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1cc(C)c(C[N@@H+](C)CC2(C)COC2)c(O)c1 ZINC001231846078 977761730 /nfs/dbraw/zinc/76/17/30/977761730.db2.gz FOSJBBFDANPWJN-UHFFFAOYSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCCC[C@@H](O)C2)c(O)c1 ZINC001231842539 977763278 /nfs/dbraw/zinc/76/32/78/977763278.db2.gz OALYXHGTZGIZKB-CYBMUJFWSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CCOC[C@@H]2C)c(O)c1 ZINC001231842277 977763443 /nfs/dbraw/zinc/76/34/43/977763443.db2.gz LWVUHLQPDKQANS-LBPRGKRZSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(C[NH+]2CC3(C2)CCOC3)c(O)c1 ZINC001231842210 977764440 /nfs/dbraw/zinc/76/44/40/977764440.db2.gz KXCFAGLDGSTBJI-UHFFFAOYSA-N 1 0 247.338 2.231 20 10 BECDRO Cc1cc(Nc2cc(N)ccc2O)cc(C)[nH+]1 ZINC001176058335 977906408 /nfs/dbraw/zinc/90/64/08/977906408.db2.gz YTOJOFBALYWKKO-UHFFFAOYSA-N 1 0 229.283 2.152 20 10 BECDRO CC[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232258754 977980044 /nfs/dbraw/zinc/98/00/44/977980044.db2.gz NOBKRZFNMWOMLE-UHFFFAOYSA-N 1 0 215.680 2.203 20 10 BECDRO COc1cc(O)c(C[NH+]2CC=CC2)cc1Cl ZINC001232267181 977984927 /nfs/dbraw/zinc/98/49/27/977984927.db2.gz ZCUHCQCEXMARGD-UHFFFAOYSA-N 1 0 239.702 2.426 20 10 BECDRO C[N@H+](Cc1cc(Cl)c(O)cc1O)C1CC1 ZINC001232260386 977985264 /nfs/dbraw/zinc/98/52/64/977985264.db2.gz OYCGXXFXYGWYES-UHFFFAOYSA-N 1 0 227.691 2.345 20 10 BECDRO CC[N@H+](Cc1cnc(C)[nH]1)Cc1ccccc1O ZINC001232465229 978104864 /nfs/dbraw/zinc/10/48/64/978104864.db2.gz ZAUBZBKYFIOWSL-UHFFFAOYSA-N 1 0 245.326 2.446 20 10 BECDRO CC(C)[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232834667 978304957 /nfs/dbraw/zinc/30/49/57/978304957.db2.gz JAHKUDBNGPRFLR-UHFFFAOYSA-N 1 0 222.332 2.298 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(O)c1 ZINC001232840387 978308353 /nfs/dbraw/zinc/30/83/53/978308353.db2.gz VZLUSOHXQPKYEN-SMDDNHRTSA-N 1 0 246.354 2.443 20 10 BECDRO 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BECDRO C[N@@H+](Cc1cc(O)c(O)cc1O)CC1CCC1 ZINC001233485832 978610595 /nfs/dbraw/zinc/61/05/95/978610595.db2.gz MKAZWFVTFQMEHP-UHFFFAOYSA-N 1 0 237.299 2.035 20 10 BECDRO C[N@H+](CCC1CC1)Cc1cc(O)c(O)cc1O ZINC001233486563 978612402 /nfs/dbraw/zinc/61/24/02/978612402.db2.gz RTMZOFLBVOPDHV-UHFFFAOYSA-N 1 0 237.299 2.035 20 10 BECDRO CC[C@@H](C)[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233484165 978613284 /nfs/dbraw/zinc/61/32/84/978613284.db2.gz ZZXXKSXGKIYEIP-MRVPVSSYSA-N 1 0 225.288 2.034 20 10 BECDRO CC1CC([N@H+](C)Cc2cc(O)c(O)cc2O)C1 ZINC001233483030 978613847 /nfs/dbraw/zinc/61/38/47/978613847.db2.gz LUKLURNLQXOXLM-UHFFFAOYSA-N 1 0 237.299 2.034 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000070346884 978832989 /nfs/dbraw/zinc/83/29/89/978832989.db2.gz PKJCCFZFZLSVQF-TZMCWYRMSA-N 1 0 248.370 2.410 20 10 BECDRO CC[C@H]1CN(Cc2c(C)cc(C)cc2O)CC[NH2+]1 ZINC001235731455 979138659 /nfs/dbraw/zinc/13/86/59/979138659.db2.gz XWBSLABOIUCWJI-ZDUSSCGKSA-N 1 0 248.370 2.193 20 10 BECDRO CCC[C@H]1CN(Cc2cccc(C)c2O)CC[NH2+]1 ZINC001236178578 979440334 /nfs/dbraw/zinc/44/03/34/979440334.db2.gz OPWBXPJVLBKITN-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c(O)c1 ZINC001236782682 979727271 /nfs/dbraw/zinc/72/72/71/979727271.db2.gz CUZRAVUAWIMNDV-OAHLLOKOSA-N 1 0 249.354 2.159 20 10 BECDRO CCc1ccc(C[N@@H+]2CCO[C@@H](C)C2)c(O)c1 ZINC001236782785 979727303 /nfs/dbraw/zinc/72/73/03/979727303.db2.gz DVUHEJQETWSSTO-NSHDSACASA-N 1 0 235.327 2.175 20 10 BECDRO CCc1ccc(C[NH+]2CC(C)(OC)C2)c(O)c1 ZINC001236783533 979727365 /nfs/dbraw/zinc/72/73/65/979727365.db2.gz LIASAIJUNFGRQV-UHFFFAOYSA-N 1 0 235.327 2.175 20 10 BECDRO CCc1ccc(C[N@@H+](CC)C2CN(C)C2)c(O)c1 ZINC001236787256 979730747 /nfs/dbraw/zinc/73/07/47/979730747.db2.gz HRTCMKDKSGKZFP-UHFFFAOYSA-N 1 0 248.370 2.091 20 10 BECDRO CCc1ccc(C[N@H+](C)[C@H]2CCOC2)c(O)c1 ZINC001236788786 979731975 /nfs/dbraw/zinc/73/19/75/979731975.db2.gz QLFCSMZYDFVZOJ-ZDUSSCGKSA-N 1 0 235.327 2.175 20 10 BECDRO COc1cc(C)c(C[N@@H+]2CC[C@H]2C)c(O)c1 ZINC001236809009 979740895 /nfs/dbraw/zinc/74/08/95/979740895.db2.gz SMUNRMONAVEUOB-SNVBAGLBSA-N 1 0 221.300 2.303 20 10 BECDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]12 ZINC001203561992 979792671 /nfs/dbraw/zinc/79/26/71/979792671.db2.gz AIXHIHUOTBTOQK-YPMHNXCESA-N 1 0 245.322 2.193 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC001237047630 979807954 /nfs/dbraw/zinc/80/79/54/979807954.db2.gz NBGBAMBOMSJAJP-CQSZACIVSA-N 1 0 249.354 2.472 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC001237044114 979808996 /nfs/dbraw/zinc/80/89/96/979808996.db2.gz ARHKQKPUEXXVKR-BXUZGUMPSA-N 1 0 249.354 2.471 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC001237053977 979809969 /nfs/dbraw/zinc/80/99/69/979809969.db2.gz SAAMXFAJDNRCCU-GFCCVEGCSA-N 1 0 249.354 2.330 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001237048568 979811787 /nfs/dbraw/zinc/81/17/87/979811787.db2.gz HKOKFHIMVSBDHX-KBPBESRZSA-N 1 0 247.338 2.489 20 10 BECDRO Nc1ccc(C[N@@H+]2CCNC3=CCCC[C@H]32)cc1 ZINC001237228018 979855811 /nfs/dbraw/zinc/85/58/11/979855811.db2.gz HQMLNAVCDNKKSY-OAHLLOKOSA-N 1 0 243.354 2.110 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@H](O)CC1 ZINC001237486177 979908916 /nfs/dbraw/zinc/90/89/16/979908916.db2.gz WMJRBALEKAZODZ-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C1CC1)C1COC1 ZINC001237486661 979909639 /nfs/dbraw/zinc/90/96/39/979909639.db2.gz AIUMELUWKZPRGE-UHFFFAOYSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001237486264 979910775 /nfs/dbraw/zinc/91/07/75/979910775.db2.gz ZUVKLDGRPRIGOK-PWSUYJOCSA-N 1 0 223.291 2.490 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC001237485871 979912769 /nfs/dbraw/zinc/91/27/69/979912769.db2.gz UWEGZKXGRZQPPN-RYUDHWBXSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccno1 ZINC001237491163 979914240 /nfs/dbraw/zinc/91/42/40/979914240.db2.gz HXDCRQCUBCWIHD-UHFFFAOYSA-N 1 0 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BECDRO Cc1cc(F)cc(C[N@@H+](C)[C@@H]2CCOC2)c1O ZINC001238061423 980131783 /nfs/dbraw/zinc/13/17/83/980131783.db2.gz HVFRKQONQUKAQM-GFCCVEGCSA-N 1 0 239.290 2.060 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238062761 980132361 /nfs/dbraw/zinc/13/23/61/980132361.db2.gz REAHBGJWSADZPZ-GFCCVEGCSA-N 1 0 239.290 2.060 20 10 BECDRO Cc1cc(F)cc(C[N@@H+](C)C2CC2)c1O ZINC001238058377 980132512 /nfs/dbraw/zinc/13/25/12/980132512.db2.gz RDSSPSUDHAJSFZ-UHFFFAOYSA-N 1 0 209.264 2.434 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1C[C@@H](O)C1 ZINC001344438472 980396865 /nfs/dbraw/zinc/39/68/65/980396865.db2.gz NRUGFAWPMTZSOX-WISYIIOYSA-N 1 0 247.338 2.362 20 10 BECDRO Cn1ccc2c1nccc2-c1cncc(C[NH3+])c1 ZINC001239807373 980943792 /nfs/dbraw/zinc/94/37/92/980943792.db2.gz YJIQRHIPEPJFOH-UHFFFAOYSA-N 1 0 238.294 2.094 20 10 BECDRO Nc1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)cc1 ZINC001352788809 982581235 /nfs/dbraw/zinc/58/12/35/982581235.db2.gz HPBMHUHIMVEGHM-CQSZACIVSA-N 1 0 246.354 2.460 20 10 BECDRO Cn1ccc2c1nccc2C1=CCC[N@H+](C)C1 ZINC001241569970 982819299 /nfs/dbraw/zinc/81/92/99/982819299.db2.gz DSXDFLRPGGOBQI-UHFFFAOYSA-N 1 0 227.311 2.292 20 10 BECDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001356083586 983568516 /nfs/dbraw/zinc/56/85/16/983568516.db2.gz UBGKSUAHYXXOHN-OAHLLOKOSA-N 1 0 248.370 2.253 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](OC)C2)c1O ZINC000692108010 985405097 /nfs/dbraw/zinc/40/50/97/985405097.db2.gz GNMYUEGBTDANCW-CYBMUJFWSA-N 1 0 235.327 2.175 20 10 BECDRO CCc1cccc(C[N@@H+]2CCCN(C)CC2)c1O ZINC000692116642 985405772 /nfs/dbraw/zinc/40/57/72/985405772.db2.gz VAOBRSQHGCYEQS-UHFFFAOYSA-N 1 0 248.370 2.092 20 10 BECDRO CCc1cccc(C[NH+]2CCN(CC)CC2)c1O ZINC000692116978 985407262 /nfs/dbraw/zinc/40/72/62/985407262.db2.gz XJUSNYQOFVZRIO-UHFFFAOYSA-N 1 0 248.370 2.092 20 10 BECDRO CCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1O ZINC000692110486 985410560 /nfs/dbraw/zinc/41/05/60/985410560.db2.gz XDSKPBDBUPMCQP-NSHDSACASA-N 1 0 235.327 2.175 20 10 BECDRO Cn1ccc2ncc(C3=C[NH2+]CCC3)cc21 ZINC001243952418 985660617 /nfs/dbraw/zinc/66/06/17/985660617.db2.gz PEFDZHPNHWERGI-UHFFFAOYSA-N 1 0 213.284 2.298 20 10 BECDRO Cc1ccc(C)c(N(C)C(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC001579672541 986180940 /nfs/dbraw/zinc/18/09/40/986180940.db2.gz GGWJSEOBNVWQRC-ZDUSSCGKSA-N 1 0 244.338 2.314 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCOC2)c1 ZINC001462091817 986280752 /nfs/dbraw/zinc/28/07/52/986280752.db2.gz IKSGWSYJAQHTBQ-CYBMUJFWSA-N 1 0 235.327 2.394 20 10 BECDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@@H](C)CO)c1 ZINC001462197382 986305370 /nfs/dbraw/zinc/30/53/70/986305370.db2.gz HWRZVBTURQOGAM-NSHDSACASA-N 1 0 237.343 2.328 20 10 BECDRO Oc1cc2c(cc1C[NH2+][C@@H]1C[C@H]3C[C@H]3C1)OCO2 ZINC000397658669 986997311 /nfs/dbraw/zinc/99/73/11/986997311.db2.gz ZIZCZLIAQUBYAI-DOFRTFSJSA-N 1 0 247.294 2.009 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2CCCN(C)C2)c1O ZINC000691461554 987286787 /nfs/dbraw/zinc/28/67/87/987286787.db2.gz VSPRKPSNRKJYEU-AWEZNQCLSA-N 1 0 248.370 2.138 20 10 BECDRO CCN(Cc1ccccc1O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246858060 988592644 /nfs/dbraw/zinc/59/26/44/988592644.db2.gz AOSLJIYKZOJPMS-GXTWGEPZSA-N 1 0 248.370 2.355 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+](C)C[C@H](C)O)c1 ZINC001308679918 991095963 /nfs/dbraw/zinc/09/59/63/991095963.db2.gz HSFYMUZSTQDLEJ-NSHDSACASA-N 1 0 237.343 2.328 20 10 BECDRO CC[N@H+](Cc1ccc(Cl)cc1O)[C@H](C)CO ZINC001308795608 991134450 /nfs/dbraw/zinc/13/44/50/991134450.db2.gz NRSRLEQOKFVVCA-SECBINFHSA-N 1 0 243.734 2.248 20 10 BECDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001308885849 991181611 /nfs/dbraw/zinc/18/16/11/991181611.db2.gz KGVMZXBOFRVQLK-XYPYZODXSA-N 1 0 241.718 2.313 20 10 BECDRO CC[N@H+](Cc1cccnn1)Cc1ccccc1O ZINC001139972279 991444796 /nfs/dbraw/zinc/44/47/96/991444796.db2.gz PHUUWRSIWFXKPS-UHFFFAOYSA-N 1 0 243.310 2.204 20 10 BECDRO Oc1ccc(F)cc1C[NH+]1CC2CC(C2)C1 ZINC001140060175 991511738 /nfs/dbraw/zinc/51/17/38/991511738.db2.gz NXKKOXAMUUOQDZ-UHFFFAOYSA-N 1 0 221.275 2.373 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001140063560 991512601 /nfs/dbraw/zinc/51/26/01/991512601.db2.gz SIVZKRPOVJLTSQ-KPXOXKRLSA-N 1 0 239.265 2.321 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@H](C)C2)c1O ZINC001140178213 991551342 /nfs/dbraw/zinc/55/13/42/991551342.db2.gz CTFSOAGDNZJMLZ-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CCCN(C)CC2)c1O ZINC001140180684 991552239 /nfs/dbraw/zinc/55/22/39/991552239.db2.gz NUQKZNCBQLHNPW-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1O ZINC001140178624 991552279 /nfs/dbraw/zinc/55/22/79/991552279.db2.gz QYXRWVNAFAOMJQ-LBPRGKRZSA-N 1 0 247.338 2.420 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC001140178639 991553249 /nfs/dbraw/zinc/55/32/49/991553249.db2.gz RUVKQGQIRRMKKN-BETUJISGSA-N 1 0 247.338 2.372 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](O)C[C@H]2C)c1O ZINC001140182533 991555785 /nfs/dbraw/zinc/55/57/85/991555785.db2.gz UQOJDHDFWOBJSN-CHWSQXEVSA-N 1 0 249.354 2.354 20 10 BECDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1O)N(C)C ZINC001560837563 991617554 /nfs/dbraw/zinc/61/75/54/991617554.db2.gz VSBXYAJHXNVLGH-VIFPVBQESA-N 1 0 242.750 2.085 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCN2C)c1 ZINC001561017352 991686945 /nfs/dbraw/zinc/68/69/45/991686945.db2.gz WJMOVXJQRIRTBW-CQSZACIVSA-N 1 0 248.370 2.309 20 10 BECDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc(N)cc1)C2 ZINC001262488095 992893013 /nfs/dbraw/zinc/89/30/13/992893013.db2.gz QHGYPVNJNKNVPP-OCCSQVGLSA-N 1 0 248.395 2.454 20 10 BECDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001262487713 992894024 /nfs/dbraw/zinc/89/40/24/992894024.db2.gz BUERBMQKPWXHSQ-XUJVJEKNSA-N 1 0 248.370 2.250 20 10 BECDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N)cc1 ZINC000380642647 993341123 /nfs/dbraw/zinc/34/11/23/993341123.db2.gz UOWSZLMVDIYDJX-WDEREUQCSA-N 1 0 204.317 2.499 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)[C@@H]1C ZINC000380642641 993342115 /nfs/dbraw/zinc/34/21/15/993342115.db2.gz UOWSZLMVDIYDJX-GHMZBOCLSA-N 1 0 204.317 2.499 20 10 BECDRO CC[C@@](C)(C[NH2+]Cc1ccc(N)cc1)OC ZINC001576949552 993464585 /nfs/dbraw/zinc/46/45/85/993464585.db2.gz LHRCETKVXDHEHU-ZDUSSCGKSA-N 1 0 222.332 2.174 20 10 BECDRO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC001577495604 993671449 /nfs/dbraw/zinc/67/14/49/993671449.db2.gz RTVWYXLDXUZENX-UHFFFAOYSA-N 1 0 249.402 2.479 20 10 BECDRO CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000389563226 993755582 /nfs/dbraw/zinc/75/55/82/993755582.db2.gz URIZCOIMBHJRHI-RYUDHWBXSA-N 1 0 234.343 2.137 20 10 BECDRO Oc1cccc(Cl)c1CNCc1cnccn1 ZINC000700579010 993840798 /nfs/dbraw/zinc/84/07/98/993840798.db2.gz DOONMZYKTJGLJB-UHFFFAOYSA-N 1 0 249.701 2.125 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN(C)C ZINC000021968355 1170176312 /nfs/dbraw/zinc/17/63/12/1170176312.db2.gz DIZVRCMDNBKRSC-VXGBXAGGSA-N 1 0 248.370 2.400 20 10 BECDRO C[N@H+](CCc1ccncc1)Cc1ccc(N)cc1 ZINC000037662986 1170965393 /nfs/dbraw/zinc/96/53/93/1170965393.db2.gz BXJVDOLSUUCPJY-UHFFFAOYSA-N 1 0 241.338 2.338 20 10 BECDRO CCC(CC)(CO)[NH2+]Cc1ccccc1O ZINC000053046933 168329741 /nfs/dbraw/zinc/32/97/41/168329741.db2.gz HELMHCCBYOJMRF-UHFFFAOYSA-N 1 0 223.316 2.033 20 10 BECDRO COC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000296245938 398209389 /nfs/dbraw/zinc/20/93/89/398209389.db2.gz AZNYJGBNBHEANQ-OLZOCXBDSA-N 1 0 247.338 2.394 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)cc1C ZINC000293993758 178195199 /nfs/dbraw/zinc/19/51/99/178195199.db2.gz LVJXPPLDLLPUJE-CQSZACIVSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CO)C2)cc1C ZINC000154579586 178195511 /nfs/dbraw/zinc/19/55/11/178195511.db2.gz BNNFIXACZIEAHF-ZDUSSCGKSA-N 1 0 249.354 2.213 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1C ZINC000188829760 178197168 /nfs/dbraw/zinc/19/71/68/178197168.db2.gz RPJVHIXYONRMCG-JSGCOSHPSA-N 1 0 249.354 2.260 20 10 BECDRO COC[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000019904850 342962574 /nfs/dbraw/zinc/96/25/74/342962574.db2.gz JVYSEYIOHXBDPQ-QMMMGPOBSA-N 1 0 229.707 2.170 20 10 BECDRO CCN(CC)CC[NH2+][C@@H](C)c1ccccc1O ZINC000019919340 342963234 /nfs/dbraw/zinc/96/32/34/342963234.db2.gz YYMLPDJNEGIMSG-LBPRGKRZSA-N 1 0 236.359 2.385 20 10 BECDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CCCO1 ZINC000020206254 342977244 /nfs/dbraw/zinc/97/72/44/342977244.db2.gz ONTDIZSHVIFUJR-MFKMUULPSA-N 1 0 221.300 2.049 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccccc1O ZINC000037155769 343337336 /nfs/dbraw/zinc/33/73/36/343337336.db2.gz IKHXLZBOOKRLPN-NWDGAFQWSA-N 1 0 245.326 2.328 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2ccn(C)c2)c1 ZINC000267093166 178797853 /nfs/dbraw/zinc/79/78/53/178797853.db2.gz NBBZPIPXBWNCMF-UHFFFAOYSA-N 1 0 230.311 2.329 20 10 BECDRO CC[C@@H]([NH2+][C@@H](C)CO)c1ccc(C)cc1O ZINC000279957340 346287234 /nfs/dbraw/zinc/28/72/34/346287234.db2.gz CDCQPHXZLJMCMH-CMPLNLGQSA-N 1 0 223.316 2.122 20 10 BECDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1O ZINC000289560029 179070495 /nfs/dbraw/zinc/07/04/95/179070495.db2.gz IWTAPRDAIUAVNQ-CHWSQXEVSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000180256961 179080009 /nfs/dbraw/zinc/08/00/09/179080009.db2.gz ZHPJIPUILDOJGO-RYUDHWBXSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@]23CCOC3)c1O ZINC000310969769 179075878 /nfs/dbraw/zinc/07/58/78/179075878.db2.gz PGBBCVCFUUADFI-HNNXBMFYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(C[NH2+]C2(C)CCOCC2)c1O ZINC000164770200 179088442 /nfs/dbraw/zinc/08/84/42/179088442.db2.gz HAYLQRFZHHGUBZ-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cccc(C[NH2+]CCC[C@@H](C)CO)c1O ZINC000224938769 179089538 /nfs/dbraw/zinc/08/95/38/179089538.db2.gz IEXQQYHZBJQHCR-LLVKDONJSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CCCOC2)c1O ZINC000124722026 179093411 /nfs/dbraw/zinc/09/34/11/179093411.db2.gz YBFAZEYWJUPJEI-GFCCVEGCSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1O ZINC000124832945 179093461 /nfs/dbraw/zinc/09/34/61/179093461.db2.gz AMUUFIXWXAMKMO-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H](C)CCCO)c1O ZINC000294692138 179093511 /nfs/dbraw/zinc/09/35/11/179093511.db2.gz CJIMVENUDKYCBC-LLVKDONJSA-N 1 0 237.343 2.199 20 10 BECDRO COc1ccc(C[NH2+]CCC[C@H](C)O)cc1C ZINC000227958377 350521059 /nfs/dbraw/zinc/52/10/59/350521059.db2.gz OOCKTTKHUGVMJP-LBPRGKRZSA-N 1 0 237.343 2.254 20 10 BECDRO [NH3+][C@@H]1CC=C(C(=O)N2CCCc3ccccc32)C1 ZINC000637868462 351733293 /nfs/dbraw/zinc/73/32/93/351733293.db2.gz MYFJUBDSGLITAN-CYBMUJFWSA-N 1 0 242.322 2.013 20 10 BECDRO CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000637889487 351758559 /nfs/dbraw/zinc/75/85/59/351758559.db2.gz HXWXABILIZHQAC-GFCCVEGCSA-N 1 0 248.301 2.226 20 10 BECDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000072924507 351765099 /nfs/dbraw/zinc/76/50/99/351765099.db2.gz YXQKFUMFHXHMGL-OAHLLOKOSA-N 1 0 249.354 2.382 20 10 BECDRO CCN1CC[N@H+](Cc2cc(C)ccc2O)[C@@H](C)C1 ZINC000289211783 352176185 /nfs/dbraw/zinc/17/61/85/352176185.db2.gz CAJMUKKPDXAALX-ZDUSSCGKSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCCn2cccn2)c1 ZINC000113318872 188082369 /nfs/dbraw/zinc/08/23/69/188082369.db2.gz WCLWSQMNYSPEAL-UHFFFAOYSA-N 1 0 245.326 2.077 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC2(C)COC2)c(O)c1 ZINC000094721860 188145816 /nfs/dbraw/zinc/14/58/16/188145816.db2.gz UTOVMGGYUYBUAP-NSHDSACASA-N 1 0 235.327 2.388 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CCN(C)C)c(O)c1C ZINC000287182975 188208848 /nfs/dbraw/zinc/20/88/48/188208848.db2.gz VHHUOYZNWKFMHM-LBPRGKRZSA-N 1 0 236.359 2.221 20 10 BECDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)C(C)(C)O ZINC000293564172 364775418 /nfs/dbraw/zinc/77/54/18/364775418.db2.gz GIBJAWCJWITEFF-GFCCVEGCSA-N 1 0 237.343 2.340 20 10 BECDRO OC[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000062999131 183141637 /nfs/dbraw/zinc/14/16/37/183141637.db2.gz ZGNKJVGPLJYOJO-AWEZNQCLSA-N 1 0 243.306 2.215 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CCOCC1CC1)CC2 ZINC000297605995 183296896 /nfs/dbraw/zinc/29/68/96/183296896.db2.gz IFCXTYZYNWFWBV-CYBMUJFWSA-N 1 0 247.338 2.396 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)CC2 ZINC000296358468 183297094 /nfs/dbraw/zinc/29/70/94/183297094.db2.gz HYEGSPCEBXXGCB-AVGNSLFASA-N 1 0 247.338 2.273 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C1CCOCC1)CC2 ZINC000295923146 183297223 /nfs/dbraw/zinc/29/72/23/183297223.db2.gz JUGPOJXZPMJNBU-GFCCVEGCSA-N 1 0 233.311 2.148 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCC[C@H]1O)CC2 ZINC000296358475 183298975 /nfs/dbraw/zinc/29/89/75/183298975.db2.gz HYEGSPCEBXXGCB-JHJVBQTASA-N 1 0 247.338 2.273 20 10 BECDRO Oc1ccccc1C[NH2+]C1CC(F)(F)C1 ZINC000277646134 183301694 /nfs/dbraw/zinc/30/16/94/183301694.db2.gz MHHPJQZXMPZDQD-UHFFFAOYSA-N 1 0 213.227 2.280 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000375331652 183302035 /nfs/dbraw/zinc/30/20/35/183302035.db2.gz LKIYXBVMCQEJSX-CQSZACIVSA-N 1 0 233.311 2.003 20 10 BECDRO Oc1ccccc1C[NH2+]CCc1ccncc1 ZINC000048261275 183303046 /nfs/dbraw/zinc/30/30/46/183303046.db2.gz ZGIVCLXSHWUQJR-UHFFFAOYSA-N 1 0 228.295 2.120 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000077205526 183303376 /nfs/dbraw/zinc/30/33/76/183303376.db2.gz XCKVJFRDENGUBL-OCCSQVGLSA-N 1 0 235.327 2.033 20 10 BECDRO C[C@H](CCCO)[NH2+][C@H](C)c1ccccc1O ZINC000087358111 383826955 /nfs/dbraw/zinc/82/69/55/383826955.db2.gz NEVWYRKWBFCXHF-GHMZBOCLSA-N 1 0 223.316 2.204 20 10 BECDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccccc1O ZINC000111156533 383836157 /nfs/dbraw/zinc/83/61/57/383836157.db2.gz DQCHXZAYGBADBD-LLVKDONJSA-N 1 0 235.327 2.469 20 10 BECDRO C[C@H]([NH2+]CC1CCOCC1)c1ccccc1O ZINC000111156530 383838472 /nfs/dbraw/zinc/83/84/72/383838472.db2.gz DQCHXZAYGBADBD-NSHDSACASA-N 1 0 235.327 2.469 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C)CC2)c1 ZINC000035629058 383864690 /nfs/dbraw/zinc/86/46/90/383864690.db2.gz UZSAUHOJGXXZKX-LBPRGKRZSA-N 1 0 248.370 2.445 20 10 BECDRO CCN(CC)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296135519 383930920 /nfs/dbraw/zinc/93/09/20/383930920.db2.gz VZEYZVWAQBIISE-ZDUSSCGKSA-N 1 0 248.370 2.311 20 10 BECDRO CC(C)C[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296207702 383964835 /nfs/dbraw/zinc/96/48/35/383964835.db2.gz ZFBBEXPBOIEETQ-STQMWFEESA-N 1 0 249.354 2.376 20 10 BECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000037362947 383972571 /nfs/dbraw/zinc/97/25/71/383972571.db2.gz RHIRFUCKRBQEQM-FZMZJTMJSA-N 1 0 247.338 2.279 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N(C)C)c1 ZINC000038088025 384067844 /nfs/dbraw/zinc/06/78/44/384067844.db2.gz BBAARNRQHWOGSC-NWDGAFQWSA-N 1 0 236.359 2.301 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccccc1O ZINC000038088664 384068055 /nfs/dbraw/zinc/06/80/55/384068055.db2.gz JKEBYISQFMJCLO-DGCLKSJQSA-N 1 0 236.359 2.383 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccccc1O ZINC000071011609 384148971 /nfs/dbraw/zinc/14/89/71/384148971.db2.gz WPKVOXZYNHAIAX-MNOVXSKESA-N 1 0 221.300 2.222 20 10 BECDRO COC[C@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC000070955621 384144009 /nfs/dbraw/zinc/14/40/09/384144009.db2.gz ZYYCXYTZZFSQLI-LLVKDONJSA-N 1 0 223.316 2.073 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C2(CN(C)C)CCC2)c1 ZINC000282359948 384258617 /nfs/dbraw/zinc/25/86/17/384258617.db2.gz WCZDWBDSKUWCDD-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(F)ccc1O ZINC000094617786 384306234 /nfs/dbraw/zinc/30/62/34/384306234.db2.gz XMYUQNZCBNJGAL-NXEZZACHSA-N 1 0 240.322 2.132 20 10 BECDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(F)ccc1O ZINC000094617785 384308481 /nfs/dbraw/zinc/30/84/81/384308481.db2.gz XMYUQNZCBNJGAL-VHSXEESVSA-N 1 0 240.322 2.132 20 10 BECDRO C[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618463 384308515 /nfs/dbraw/zinc/30/85/15/384308515.db2.gz WSNYXCBCLVAULI-ZJUUUORDSA-N 1 0 241.306 2.200 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)COC2)c(O)c1 ZINC000094721859 384310519 /nfs/dbraw/zinc/31/05/19/384310519.db2.gz UTOVMGGYUYBUAP-LLVKDONJSA-N 1 0 235.327 2.388 20 10 BECDRO CCC[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297649161 384312138 /nfs/dbraw/zinc/31/21/38/384312138.db2.gz KCKVAJMVFZEAIR-NWDGAFQWSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@H](CCCO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094942585 384318575 /nfs/dbraw/zinc/31/85/75/384318575.db2.gz XIPLNBHROPMHEP-NXEZZACHSA-N 1 0 241.306 2.343 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000119720735 384300005 /nfs/dbraw/zinc/30/00/05/384300005.db2.gz NSBZDJKVUVRYBB-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO CC[C@H]([NH2+][C@H](C)CCO)c1ccccc1O ZINC000120627815 384367517 /nfs/dbraw/zinc/36/75/17/384367517.db2.gz PVTMMBVOOIWYNH-PWSUYJOCSA-N 1 0 223.316 2.204 20 10 BECDRO CC[C@@H](CCO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000094949664 384323466 /nfs/dbraw/zinc/32/34/66/384323466.db2.gz GFTWANJAHHDKEX-LBPRGKRZSA-N 1 0 249.354 2.120 20 10 BECDRO C[C@H](CCCO)[NH2+]Cc1c(O)cccc1Cl ZINC000095016430 384327503 /nfs/dbraw/zinc/32/75/03/384327503.db2.gz CMDPQNBUJRBZHE-SECBINFHSA-N 1 0 243.734 2.296 20 10 BECDRO CCOCC[NH2+][C@@H](C)c1ccccc1O ZINC000036229150 384435189 /nfs/dbraw/zinc/43/51/89/384435189.db2.gz XBXBUIZXKUNFGR-JTQLQIEISA-N 1 0 209.289 2.079 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1O ZINC000019963525 384563947 /nfs/dbraw/zinc/56/39/47/384563947.db2.gz YZURDEZFFUJSAQ-QWRGUYRKSA-N 1 0 221.300 2.222 20 10 BECDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccccc1O ZINC000050182397 384602567 /nfs/dbraw/zinc/60/25/67/384602567.db2.gz MMYPJVDOEQQTEI-UHFFFAOYSA-N 1 0 245.326 2.146 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000020205238 384598495 /nfs/dbraw/zinc/59/84/95/384598495.db2.gz JNBHFLYVHNWYBQ-DOMZBBRYSA-N 1 0 248.370 2.410 20 10 BECDRO CCOc1cccc(C[NH+]2CCCC2)c1O ZINC000101590300 384683735 /nfs/dbraw/zinc/68/37/35/384683735.db2.gz YSTSDJYEZZLAPB-UHFFFAOYSA-N 1 0 221.300 2.387 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000102675127 384721260 /nfs/dbraw/zinc/72/12/60/384721260.db2.gz ZPULARXVNSAWTE-OAHLLOKOSA-N 1 0 248.370 2.363 20 10 BECDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000186490125 384846521 /nfs/dbraw/zinc/84/65/21/384846521.db2.gz MBTVDJNKLIJPRL-HEKLCECKSA-N 1 0 235.327 2.370 20 10 BECDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000163979100 384888625 /nfs/dbraw/zinc/88/86/25/384888625.db2.gz MPEBLRXMSQIMEH-WDEREUQCSA-N 1 0 223.316 2.204 20 10 BECDRO C[C@H](CCO)C[NH2+][C@H](C)c1ccccc1O ZINC000085125563 384919486 /nfs/dbraw/zinc/91/94/86/384919486.db2.gz YKGXBPIJHKKXTB-GHMZBOCLSA-N 1 0 223.316 2.061 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccccc1O ZINC000189315836 385143173 /nfs/dbraw/zinc/14/31/73/385143173.db2.gz QJRFETVGNWMENF-TUAOUCFPSA-N 1 0 235.327 2.204 20 10 BECDRO C[C@H]1OCCN(Cc2cccc(F)c2O)[C@H]1C ZINC000272287913 385167066 /nfs/dbraw/zinc/16/70/66/385167066.db2.gz NTFOCUYGTNCSCZ-VHSXEESVSA-N 1 0 239.290 2.141 20 10 BECDRO CC[C@](C)(CCO)[NH2+]Cc1ccccc1O ZINC000166042965 385214833 /nfs/dbraw/zinc/21/48/33/385214833.db2.gz OXJYCOBHMROXFV-CYBMUJFWSA-N 1 0 223.316 2.033 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000289722655 385302913 /nfs/dbraw/zinc/30/29/13/385302913.db2.gz GEQOKRDZSQMVOY-MNOVXSKESA-N 1 0 223.316 2.214 20 10 BECDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1O ZINC000167453165 385316582 /nfs/dbraw/zinc/31/65/82/385316582.db2.gz GLTWUXBGGHVFQA-SDDRHHMPSA-N 1 0 235.327 2.468 20 10 BECDRO COC[C@H]([NH2+]Cc1ccccc1O)c1ccco1 ZINC000177572037 385264196 /nfs/dbraw/zinc/26/41/96/385264196.db2.gz OFNANHVLCFJEJL-LBPRGKRZSA-N 1 0 247.294 2.463 20 10 BECDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cccc(C)c1O ZINC000191957456 385337432 /nfs/dbraw/zinc/33/74/32/385337432.db2.gz OEXYPPBFGPSKTP-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO CC[C@@H](C[NH2+]Cc1cc(C)ccc1O)OC ZINC000289746754 385357516 /nfs/dbraw/zinc/35/75/16/385357516.db2.gz HXFHJRRXYYYLBQ-LBPRGKRZSA-N 1 0 223.316 2.215 20 10 BECDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168772682 385385725 /nfs/dbraw/zinc/38/57/25/385385725.db2.gz UPEJDQINQRGQLU-ONGXEEELSA-N 1 0 241.306 2.343 20 10 BECDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CCN1C ZINC000179579698 385476100 /nfs/dbraw/zinc/47/61/00/385476100.db2.gz HFPNXVCRNNKZCV-TZMCWYRMSA-N 1 0 248.370 2.307 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@H](C)O1 ZINC000295264095 385513605 /nfs/dbraw/zinc/51/36/05/385513605.db2.gz VGCOJFYMPBDRBU-JFGNBEQYSA-N 1 0 221.300 2.048 20 10 BECDRO COC[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000211417240 385684330 /nfs/dbraw/zinc/68/43/30/385684330.db2.gz YLKYUGPFERIPNT-GFCCVEGCSA-N 1 0 235.327 2.169 20 10 BECDRO C[N@H+](Cc1cccc(F)c1[O-])[C@@H]1CCSC1 ZINC000272301712 385891964 /nfs/dbraw/zinc/89/19/64/385891964.db2.gz PUOZWUWXJOSTQY-SNVBAGLBSA-N 1 0 241.331 2.469 20 10 BECDRO COc1cc(O)c(C[NH2+]C2CCC2)cc1OC ZINC000271914934 385860711 /nfs/dbraw/zinc/86/07/11/385860711.db2.gz YRZLYTILVSIETI-UHFFFAOYSA-N 1 0 237.299 2.052 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275971328 386257056 /nfs/dbraw/zinc/25/70/56/386257056.db2.gz LSQZGWRPVLVRAD-CQSZACIVSA-N 1 0 249.354 2.293 20 10 BECDRO CCC1(C)C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000297452184 386258011 /nfs/dbraw/zinc/25/80/11/386258011.db2.gz QTRWNFMFEKTSLC-UHFFFAOYSA-N 1 0 249.310 2.353 20 10 BECDRO CC[C@@H](COC)[NH2+]Cc1cc(F)ccc1O ZINC000226611293 386343816 /nfs/dbraw/zinc/34/38/16/386343816.db2.gz OIMXXLJPAUNPCZ-NSHDSACASA-N 1 0 227.279 2.046 20 10 BECDRO Cc1ccc(O)c(CN(C)CC[N@H+](C)C2CC2)c1 ZINC000290295041 386415367 /nfs/dbraw/zinc/41/53/67/386415367.db2.gz ASDFGWLNDIUENW-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H](C)O)c(O)c1 ZINC000293677466 386671920 /nfs/dbraw/zinc/67/19/20/386671920.db2.gz KCLJLYKIBCGRFD-NWDGAFQWSA-N 1 0 237.343 2.431 20 10 BECDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1O ZINC000295849257 386708827 /nfs/dbraw/zinc/70/88/27/386708827.db2.gz DUXIOKNSDLRWAR-QNSHHTMESA-N 1 0 241.718 2.220 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CCO)c(O)c1 ZINC000293251796 386793974 /nfs/dbraw/zinc/79/39/74/386793974.db2.gz BPIMSNDITZRJDV-RYUDHWBXSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1cc(C[N@H+](C)[C@H]2CCOC2)ccc1N(C)C ZINC000293196435 386787906 /nfs/dbraw/zinc/78/79/06/386787906.db2.gz UEBKTIZXCSEIQZ-AWEZNQCLSA-N 1 0 248.370 2.282 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]CCCO)c(O)c1 ZINC000284158171 387151182 /nfs/dbraw/zinc/15/11/82/387151182.db2.gz PRTMZJNCKSRXRZ-NSHDSACASA-N 1 0 223.316 2.042 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CO)c(O)c1 ZINC000284256342 387169884 /nfs/dbraw/zinc/16/98/84/387169884.db2.gz VZAXDJXLTBLKGA-WDEREUQCSA-N 1 0 223.316 2.040 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1 ZINC000188847451 387275950 /nfs/dbraw/zinc/27/59/50/387275950.db2.gz FMKJNKFKJLUFHX-ZFWWWQNUSA-N 1 0 248.370 2.003 20 10 BECDRO CC[C@H]([NH2+]Cc1ccccc1O)C(C)(C)O ZINC000292942443 387318565 /nfs/dbraw/zinc/31/85/65/387318565.db2.gz HZGPYMBDLTUSSN-LBPRGKRZSA-N 1 0 223.316 2.031 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c(O)c1 ZINC000296026484 177869981 /nfs/dbraw/zinc/86/99/81/177869981.db2.gz SJCCEBCQBHUXFJ-UTUOFQBUSA-N 1 0 235.327 2.183 20 10 BECDRO CO[C@@H](C)CC[NH2+]Cc1cc(C)ccc1O ZINC000264937923 387951167 /nfs/dbraw/zinc/95/11/67/387951167.db2.gz DWBXKVXVJHEOEF-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CF)c1 ZINC000288347106 387979208 /nfs/dbraw/zinc/97/92/08/387979208.db2.gz BUAIXPMXGDCZRF-SECBINFHSA-N 1 0 227.279 2.239 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000294936627 388406223 /nfs/dbraw/zinc/40/62/23/388406223.db2.gz ZYCCTHWVIFAORB-CYBMUJFWSA-N 1 0 235.327 2.358 20 10 BECDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000293581516 388390767 /nfs/dbraw/zinc/39/07/67/388390767.db2.gz CAACGHZGQPYTQU-YGRLFVJLSA-N 1 0 235.327 2.468 20 10 BECDRO CO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000293729340 388391825 /nfs/dbraw/zinc/39/18/25/388391825.db2.gz RFBMHFCPHPWFPT-GXTWGEPZSA-N 1 0 247.338 2.394 20 10 BECDRO C[C@H](CCCO)C[NH2+]Cc1cc(F)ccc1O ZINC000294748085 388403803 /nfs/dbraw/zinc/40/38/03/388403803.db2.gz HVLIRHDSRNPJJW-SNVBAGLBSA-N 1 0 241.306 2.030 20 10 BECDRO CC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)OC ZINC000297490132 388429312 /nfs/dbraw/zinc/42/93/12/388429312.db2.gz ZXRZDDDPEVMKCY-VXGBXAGGSA-N 1 0 235.327 2.394 20 10 BECDRO CO[C@H](C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297895361 388433094 /nfs/dbraw/zinc/43/30/94/388433094.db2.gz VTXSENWHPXGHSF-PWSUYJOCSA-N 1 0 235.327 2.394 20 10 BECDRO C[C@@H](CCCCO)[NH2+]Cc1ccccc1O ZINC000272517597 389033050 /nfs/dbraw/zinc/03/30/50/389033050.db2.gz XYYOMFPCMCGACA-NSHDSACASA-N 1 0 223.316 2.033 20 10 BECDRO CO[C@H](C)CC[NH2+]Cc1cccc(C)c1O ZINC000271851348 389026978 /nfs/dbraw/zinc/02/69/78/389026978.db2.gz IQVXJPIEOJXEQM-LLVKDONJSA-N 1 0 223.316 2.215 20 10 BECDRO C[C@@H]([NH2+]CCF)c1ccc(N(C)C)cc1 ZINC000275043975 389051639 /nfs/dbraw/zinc/05/16/39/389051639.db2.gz YMOPSKAIZDEGTI-SNVBAGLBSA-N 1 0 210.296 2.373 20 10 BECDRO CC(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020085504 132329833 /nfs/dbraw/zinc/32/98/33/132329833.db2.gz DOEMVSOLNVEZCQ-UHFFFAOYSA-N 1 0 234.343 2.021 20 10 BECDRO C[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000035602375 132338494 /nfs/dbraw/zinc/33/84/94/132338494.db2.gz ARJBFLFLWMZLES-ZDUSSCGKSA-N 1 0 248.370 2.147 20 10 BECDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000185810912 397873378 /nfs/dbraw/zinc/87/33/78/397873378.db2.gz YETKJNUKBGKDPE-ISZGNANSSA-N 1 0 249.354 2.426 20 10 BECDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C[C@H](C)O ZINC000297677357 410046104 /nfs/dbraw/zinc/04/61/04/410046104.db2.gz LITRGGGYUGOBLM-NTZNESFSSA-N 1 0 249.354 2.376 20 10 BECDRO CC(C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC000179567365 167095928 /nfs/dbraw/zinc/09/59/28/167095928.db2.gz ZRGIMBVDKZTKMX-UHFFFAOYSA-N 1 0 248.370 2.355 20 10 BECDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230688224 167392556 /nfs/dbraw/zinc/39/25/56/167392556.db2.gz ZLGNJEPKOBDRJJ-CQSZACIVSA-N 1 0 249.354 2.118 20 10 BECDRO CC1(C[NH2+]Cc2c(O)cccc2Cl)COC1 ZINC000083552554 168042873 /nfs/dbraw/zinc/04/28/73/168042873.db2.gz YHOKDYKSGFEZEB-UHFFFAOYSA-N 1 0 241.718 2.172 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000179584697 170898339 /nfs/dbraw/zinc/89/83/39/170898339.db2.gz DWWQRKUAQBFVAE-BXUZGUMPSA-N 1 0 236.359 2.174 20 10 BECDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297794991 171378170 /nfs/dbraw/zinc/37/81/70/171378170.db2.gz QDQSQZAQUZUTDX-JKOKRWQUSA-N 1 0 249.354 2.376 20 10 BECDRO CCn1cc(C[NH2+]Cc2cc(C)ccc2O)cn1 ZINC000265573540 172171643 /nfs/dbraw/zinc/17/16/43/172171643.db2.gz XCWHJUMUIKPJKF-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1 ZINC000129219319 172553933 /nfs/dbraw/zinc/55/39/33/172553933.db2.gz WDIXTOZLEFHAQI-ZIAGYGMSSA-N 1 0 248.370 2.002 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000152955763 172554316 /nfs/dbraw/zinc/55/43/16/172554316.db2.gz DEAJAKQSMBBCBK-KFWWJZLASA-N 1 0 246.354 2.162 20 10 BECDRO CN1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296192905 173056487 /nfs/dbraw/zinc/05/64/87/173056487.db2.gz YQTCABPYSXINQR-QWHCGFSZSA-N 1 0 246.354 2.063 20 10 BECDRO COCC(C)(C)[N@H+](C)Cc1ccccc1O ZINC000292818905 174079671 /nfs/dbraw/zinc/07/96/71/174079671.db2.gz PSQMRTAUUCQRIY-UHFFFAOYSA-N 1 0 223.316 2.249 20 10 BECDRO COCC1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000282054907 174103425 /nfs/dbraw/zinc/10/34/25/174103425.db2.gz PQFQXIPQZLTFPF-UHFFFAOYSA-N 1 0 235.327 2.299 20 10 BECDRO COCC1([NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000284156467 174110083 /nfs/dbraw/zinc/11/00/83/174110083.db2.gz WBTARDWOMPWHQL-UHFFFAOYSA-N 1 0 247.338 2.280 20 10 BECDRO COCCC[NH2+]Cc1c(O)cccc1Cl ZINC000083551236 174246760 /nfs/dbraw/zinc/24/67/60/174246760.db2.gz AJCKNKHUYHJMSA-UHFFFAOYSA-N 1 0 229.707 2.172 20 10 BECDRO COCCC[NH2+][C@H](C)c1ccccc1O ZINC000020142335 174250556 /nfs/dbraw/zinc/25/05/56/174250556.db2.gz PBSHLJWOZFEAIP-SNVBAGLBSA-N 1 0 209.289 2.079 20 10 BECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)cc1C ZINC000077424304 175109544 /nfs/dbraw/zinc/10/95/44/175109544.db2.gz MEBGOXGTTITDDU-RYUDHWBXSA-N 1 0 237.343 2.110 20 10 BECDRO COc1ccc(O)c(C[NH2+]Cc2cccnc2)c1 ZINC000020141431 175158648 /nfs/dbraw/zinc/15/86/48/175158648.db2.gz YLJXLAJABWEOBW-UHFFFAOYSA-N 1 0 244.294 2.086 20 10 BECDRO COc1ccc(O)c([C@H](C)[NH2+]C(C)C)c1 ZINC000019880737 175160613 /nfs/dbraw/zinc/16/06/13/175160613.db2.gz PQBQMTFSVVWIRD-VIFPVBQESA-N 1 0 209.289 2.460 20 10 BECDRO COc1ccc(O)c([C@H](C)[NH2+]CCF)c1 ZINC000271855366 175160903 /nfs/dbraw/zinc/16/09/03/175160903.db2.gz SFWPYHZPLWMVTI-QMMMGPOBSA-N 1 0 213.252 2.021 20 10 BECDRO COc1cccc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1O ZINC000211650023 175259656 /nfs/dbraw/zinc/25/96/56/175259656.db2.gz BXXKHHJMXVABSY-GHMZBOCLSA-N 1 0 235.327 2.489 20 10 BECDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccccc1O ZINC000223660632 175882190 /nfs/dbraw/zinc/88/21/90/175882190.db2.gz SIXSSDMENXNMDA-LLVKDONJSA-N 1 0 235.327 2.469 20 10 BECDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000071207008 176150324 /nfs/dbraw/zinc/15/03/24/176150324.db2.gz TZCQTGWYUOTWEU-MWLCHTKSSA-N 1 0 249.310 2.399 20 10 BECDRO C[C@@H]1COCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000376582056 176332829 /nfs/dbraw/zinc/33/28/29/176332829.db2.gz RIKHKNSCLCMDQM-ZDUSSCGKSA-N 1 0 248.370 2.221 20 10 BECDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000119901153 176480471 /nfs/dbraw/zinc/48/04/71/176480471.db2.gz YSPYIBVGECSNAV-SMDDNHRTSA-N 1 0 234.343 2.020 20 10 BECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000135209111 176874931 /nfs/dbraw/zinc/87/49/31/176874931.db2.gz YOGBOOVTTCZLDM-GXTWGEPZSA-N 1 0 248.370 2.267 20 10 BECDRO C[C@H](c1cnccn1)[N@H+](C)Cc1ccccc1O ZINC000184654867 177050836 /nfs/dbraw/zinc/05/08/36/177050836.db2.gz SGVQILPCPATLCR-LLVKDONJSA-N 1 0 243.310 2.375 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000161304749 177332392 /nfs/dbraw/zinc/33/23/92/177332392.db2.gz IACBNKOVEXWZRD-JQWIXIFHSA-N 1 0 221.300 2.049 20 10 BECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000529653641 324372562 /nfs/dbraw/zinc/37/25/62/324372562.db2.gz SOYONQRGTZODED-OCCSQVGLSA-N 1 0 235.327 2.358 20 10 BECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000529650889 324372636 /nfs/dbraw/zinc/37/26/36/324372636.db2.gz JLPILDZGMGICLF-OLZOCXBDSA-N 1 0 239.290 2.188 20 10 BECDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000134054944 488165285 /nfs/dbraw/zinc/16/52/85/488165285.db2.gz XNOHNWVIDMAMHI-CQSZACIVSA-N 1 0 248.370 2.308 20 10 BECDRO CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000034837368 535515888 /nfs/dbraw/zinc/51/58/88/535515888.db2.gz WPOQEHWZTOXJQH-GFCCVEGCSA-N 1 0 234.343 2.194 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC(C)(C)O)c(Cl)c1 ZINC000840898148 583056045 /nfs/dbraw/zinc/05/60/45/583056045.db2.gz UUXSSLDXOYNVJC-UHFFFAOYSA-N 1 0 243.734 2.215 20 10 BECDRO CC[C@H](NCC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000854226572 588780707 /nfs/dbraw/zinc/78/07/07/588780707.db2.gz IHKQAHVKCKGLQN-QRJNDHJOSA-N 1 0 246.354 2.185 20 10 BECDRO C[NH2+]C[C@H](C)N[C@@H](C)c1cc(Cl)ccc1O ZINC000854232190 588781334 /nfs/dbraw/zinc/78/13/34/588781334.db2.gz NZUQMHBLVQQNKG-IUCAKERBSA-N 1 0 242.750 2.304 20 10 BECDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1O ZINC000854232443 588781474 /nfs/dbraw/zinc/78/14/74/588781474.db2.gz PVGQMFBFBNCZRD-JQWIXIFHSA-N 1 0 236.359 2.268 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c1 ZINC000775985514 583108601 /nfs/dbraw/zinc/10/86/01/583108601.db2.gz MBVSYYONAHWEBO-CHWSQXEVSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@]1(C)CCOC1 ZINC000840937401 583166710 /nfs/dbraw/zinc/16/67/10/583166710.db2.gz SLRIMNVPWIXAPU-OAHLLOKOSA-N 1 0 248.370 2.330 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c1 ZINC000857061261 588884667 /nfs/dbraw/zinc/88/46/67/588884667.db2.gz NBBNZIYXJOKPNV-TZMCWYRMSA-N 1 0 249.354 2.151 20 10 BECDRO CC[C@]1(O)CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000877691295 583342768 /nfs/dbraw/zinc/34/27/68/583342768.db2.gz MACGCPIZLRDXRJ-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO Cn1ccc(C[NH2+]Cc2ccccc2O)c1 ZINC000129077825 583572713 /nfs/dbraw/zinc/57/27/13/583572713.db2.gz OEKNLHAJHLIIII-UHFFFAOYSA-N 1 0 216.284 2.021 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895292109 583637610 /nfs/dbraw/zinc/63/76/10/583637610.db2.gz FAHBWWJZPGFJRE-LBPRGKRZSA-N 1 0 236.359 2.130 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2cnccn2)c1 ZINC000895392960 583664901 /nfs/dbraw/zinc/66/49/01/583664901.db2.gz XAYMGNXZIRXMBK-LLVKDONJSA-N 1 0 243.310 2.341 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1 ZINC000895436409 583674715 /nfs/dbraw/zinc/67/47/15/583674715.db2.gz DNPHSCXUGGFMAB-UKRRQHHQSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCc1ccns1 ZINC000895529385 583685031 /nfs/dbraw/zinc/68/50/31/583685031.db2.gz KTRWLXFMJSUNRZ-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CF)C1 ZINC000895572246 583692232 /nfs/dbraw/zinc/69/22/32/583692232.db2.gz FVBYTQKOTAWIJJ-LLVKDONJSA-N 1 0 223.291 2.492 20 10 BECDRO CCO[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000897067334 583876346 /nfs/dbraw/zinc/87/63/46/583876346.db2.gz HNHJAINRCUSTIG-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC[C@H](O)C2CC2)cc1 ZINC000898206806 584091893 /nfs/dbraw/zinc/09/18/93/584091893.db2.gz WHKWNWUALAGVOW-HNNXBMFYSA-N 1 0 248.370 2.003 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC[C@@H](O)C2CC2)cc1 ZINC000898206807 584092113 /nfs/dbraw/zinc/09/21/13/584092113.db2.gz WHKWNWUALAGVOW-OAHLLOKOSA-N 1 0 248.370 2.003 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898380561 584114763 /nfs/dbraw/zinc/11/47/63/584114763.db2.gz QOBOYNLLLWCCGU-UONOGXRCSA-N 1 0 247.338 2.215 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C)c(O)c1C ZINC000903319420 584746606 /nfs/dbraw/zinc/74/66/06/584746606.db2.gz ZCGCARAENWWXJY-CHWSQXEVSA-N 1 0 248.370 2.364 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN2C)c(O)c1 ZINC000903315891 584749748 /nfs/dbraw/zinc/74/97/48/584749748.db2.gz ABCLAERTGUNCLM-OLZOCXBDSA-N 1 0 248.370 2.364 20 10 BECDRO CN(C)c1ccc(CN(C)CCC[NH+](C)C)cc1 ZINC000734843292 584968934 /nfs/dbraw/zinc/96/89/34/584968934.db2.gz ITFZMXJWQSQKQS-UHFFFAOYSA-N 1 0 249.402 2.136 20 10 BECDRO CC[C@H]([NH2+][C@H](C)CN)c1ccc(C)cc1O ZINC000817965902 584993371 /nfs/dbraw/zinc/99/33/71/584993371.db2.gz FCGAOZLJSFONCJ-PWSUYJOCSA-N 1 0 222.332 2.089 20 10 BECDRO CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000817979337 584994303 /nfs/dbraw/zinc/99/43/03/584994303.db2.gz JNCBSNCAWKFGGA-PWSUYJOCSA-N 1 0 240.322 2.309 20 10 BECDRO C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817978080 584994358 /nfs/dbraw/zinc/99/43/58/584994358.db2.gz VOSUFHRKNHQNNO-FXQIFTODSA-N 1 0 244.285 2.057 20 10 BECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)C1CC1 ZINC000838859549 585075619 /nfs/dbraw/zinc/07/56/19/585075619.db2.gz LGYFXMALWDPYCG-HNNXBMFYSA-N 1 0 249.354 2.375 20 10 BECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000839190858 585097519 /nfs/dbraw/zinc/09/75/19/585097519.db2.gz ARRUJLRETYPTRA-YPMHNXCESA-N 1 0 239.290 2.188 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)C2CC2)cc1 ZINC000741257512 585111876 /nfs/dbraw/zinc/11/18/76/585111876.db2.gz DUJYLTGKEXUQTN-HNNXBMFYSA-N 1 0 248.370 2.003 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCN2CC[C@@H](C)C2)c1 ZINC000744449781 585150269 /nfs/dbraw/zinc/15/02/69/585150269.db2.gz OKEHYLMFGKAFBR-CYBMUJFWSA-N 1 0 248.370 2.132 20 10 BECDRO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccccc1O ZINC000754100744 585278263 /nfs/dbraw/zinc/27/82/63/585278263.db2.gz FDWJXRBBWXFAOZ-ZYHUDNBSSA-N 1 0 205.301 2.480 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000754736789 585290082 /nfs/dbraw/zinc/29/00/82/585290082.db2.gz MATODUQTKXJBBU-ZDUSSCGKSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(O)c(C[N@H+]2CCOC[C@@H](C)C2)c1 ZINC000754748997 585290430 /nfs/dbraw/zinc/29/04/30/585290430.db2.gz UVNSCNLYPCEZCB-LBPRGKRZSA-N 1 0 249.354 2.477 20 10 BECDRO COCC1([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000765271566 585483353 /nfs/dbraw/zinc/48/33/53/585483353.db2.gz OTDBXJPPNGEHIB-UHFFFAOYSA-N 1 0 235.327 2.278 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C)C1 ZINC000769102581 585549077 /nfs/dbraw/zinc/54/90/77/585549077.db2.gz OMFCTVRKEOYUQW-SNVBAGLBSA-N 1 0 221.300 2.243 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1C ZINC000769389225 585555432 /nfs/dbraw/zinc/55/54/32/585555432.db2.gz MCQNZZYBRWWKJE-SNVBAGLBSA-N 1 0 221.300 2.385 20 10 BECDRO Cc1cc(O)c(C[N@H+](C)Cc2cn[nH]c2)cc1C ZINC000769427642 585556240 /nfs/dbraw/zinc/55/62/40/585556240.db2.gz YTVVKGSYSPNBKC-UHFFFAOYSA-N 1 0 245.326 2.364 20 10 BECDRO CCN(C)c1ccc(C[N@H+](C)C2CC(O)C2)cc1 ZINC000773844930 585644803 /nfs/dbraw/zinc/64/48/03/585644803.db2.gz IWVOBJINRJNQKB-UHFFFAOYSA-N 1 0 248.370 2.098 20 10 BECDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccccc1O ZINC000775130775 585672470 /nfs/dbraw/zinc/67/24/70/585672470.db2.gz OGFBJROGSGCRHT-OLZOCXBDSA-N 1 0 248.370 2.385 20 10 BECDRO Cc1cccc(C[N@H+](C)Cc2cn[nH]c2)c1O ZINC000775700253 585683297 /nfs/dbraw/zinc/68/32/97/585683297.db2.gz LHBQRETXMSUOOI-UHFFFAOYSA-N 1 0 231.299 2.056 20 10 BECDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000785988377 585884673 /nfs/dbraw/zinc/88/46/73/585884673.db2.gz MPBMLPUDKQYWMZ-DYEKYZERSA-N 1 0 249.354 2.374 20 10 BECDRO COc1ccc(O)c(C[NH+]2CC(C(C)C)C2)c1 ZINC000793193187 586013612 /nfs/dbraw/zinc/01/36/12/586013612.db2.gz SBVOTKMALMRPEG-UHFFFAOYSA-N 1 0 235.327 2.489 20 10 BECDRO COc1cccc(O)c1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000793220032 586014542 /nfs/dbraw/zinc/01/45/42/586014542.db2.gz JIQCLNFZMGQXBJ-AOOOYVTPSA-N 1 0 221.300 2.384 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C)cc1O ZINC000794804385 586049227 /nfs/dbraw/zinc/04/92/27/586049227.db2.gz DSKJCWZTQDQCQF-OCCSQVGLSA-N 1 0 248.370 2.445 20 10 BECDRO CO[C@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000795750562 586091657 /nfs/dbraw/zinc/09/16/57/586091657.db2.gz LILZXQUPCHYHBT-GFCCVEGCSA-N 1 0 237.343 2.476 20 10 BECDRO CCOc1cccc(C[NH+]2CC(C)C2)c1O ZINC000802651301 586307530 /nfs/dbraw/zinc/30/75/30/586307530.db2.gz LXZVWJUTMVWMBK-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO CC1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000802651088 586308076 /nfs/dbraw/zinc/30/80/76/586308076.db2.gz IONFFKIWXUGGSZ-UHFFFAOYSA-N 1 0 211.692 2.497 20 10 BECDRO Cc1cc(O)c(C[N@H+](C)C[C@@H](O)C2CC2)cc1C ZINC000809750921 586516946 /nfs/dbraw/zinc/51/69/46/586516946.db2.gz BTRJYDDGRZHFIL-OAHLLOKOSA-N 1 0 249.354 2.212 20 10 BECDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1O ZINC000816647258 586749307 /nfs/dbraw/zinc/74/93/07/586749307.db2.gz QEBWYIIJBDHMDV-DTWKUNHWSA-N 1 0 209.264 2.372 20 10 BECDRO COc1cccc(O)c1C[NH2+]C1CC=CC1 ZINC000817408918 586800810 /nfs/dbraw/zinc/80/08/10/586800810.db2.gz SAISVYGBTNJEKC-UHFFFAOYSA-N 1 0 219.284 2.209 20 10 BECDRO OCC[C@@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000817418969 586803776 /nfs/dbraw/zinc/80/37/76/586803776.db2.gz MSBNOZJDGGJSAP-CYBMUJFWSA-N 1 0 249.354 2.377 20 10 BECDRO CC[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(C)cc1O ZINC000817941979 586845080 /nfs/dbraw/zinc/84/50/80/586845080.db2.gz VHJKYVLQGTUYHE-GXTWGEPZSA-N 1 0 248.370 2.493 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2CCC[NH2+]C2)c(O)c1C ZINC000817942488 586845606 /nfs/dbraw/zinc/84/56/06/586845606.db2.gz ZRSXTPQPXWEVEH-QWHCGFSZSA-N 1 0 248.370 2.412 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+]C2)c(O)c1C ZINC000817945065 586845995 /nfs/dbraw/zinc/84/59/95/586845995.db2.gz SOTOMYCSUDHLHN-NWDGAFQWSA-N 1 0 234.343 2.022 20 10 BECDRO CC[C@H](N[C@H]1CC[NH2+]C1)c1ccc(C)cc1O ZINC000817945035 586846025 /nfs/dbraw/zinc/84/60/25/586846025.db2.gz RVYUTJFDYLLQFH-AAEUAGOBSA-N 1 0 234.343 2.103 20 10 BECDRO Cc1cc(C)c([C@H](C)N[C@H]2CC[NH2+]C2)c(O)c1 ZINC000817945218 586846279 /nfs/dbraw/zinc/84/62/79/586846279.db2.gz XJTMZTUQKWFVEC-RYUDHWBXSA-N 1 0 234.343 2.022 20 10 BECDRO Cc1ccc(O)c([C@@H](C)NC[C@H]2CCCC[NH2+]2)c1 ZINC000817948484 586846740 /nfs/dbraw/zinc/84/67/40/586846740.db2.gz AMGQTWSNKKBPOL-CHWSQXEVSA-N 1 0 248.370 2.493 20 10 BECDRO Oc1cccc2c1[C@@H](NC[C@@H]1CCCC[NH2+]1)CC2 ZINC000817949310 586847080 /nfs/dbraw/zinc/84/70/80/586847080.db2.gz IHWKDDHXCYDTGL-STQMWFEESA-N 1 0 246.354 2.111 20 10 BECDRO CO[C@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956723 586850381 /nfs/dbraw/zinc/85/03/81/586850381.db2.gz BFMQVWJDZRKBBN-CABCVRRESA-N 1 0 248.370 2.359 20 10 BECDRO C[C@H](NC1C[NH2+]C1)c1ccc2ccccc2c1O ZINC000817956390 586850403 /nfs/dbraw/zinc/85/04/03/586850403.db2.gz YBCSZRRDYIBJAA-JTQLQIEISA-N 1 0 242.322 2.168 20 10 BECDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCCOC1 ZINC000817957085 586850440 /nfs/dbraw/zinc/85/04/40/586850440.db2.gz ILQJPQFDPYTZOL-OCCSQVGLSA-N 1 0 248.370 2.216 20 10 BECDRO CCC[NH2+]CCN[C@@H](C)c1cc(F)ccc1O ZINC000817962402 586852859 /nfs/dbraw/zinc/85/28/59/586852859.db2.gz LEPVKGRAGJBRRA-JTQLQIEISA-N 1 0 240.322 2.182 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H](CN)C2CC2)c(O)c1C ZINC000817961306 586852963 /nfs/dbraw/zinc/85/29/63/586852963.db2.gz WWXHVOJFGMUKBC-FZMZJTMJSA-N 1 0 248.370 2.397 20 10 BECDRO C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccccc1O ZINC000817967844 586856562 /nfs/dbraw/zinc/85/65/62/586856562.db2.gz MLBAJMPNWKQSPA-NTZNESFSSA-N 1 0 234.343 2.041 20 10 BECDRO CC[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccccc1O ZINC000817968791 586856830 /nfs/dbraw/zinc/85/68/30/586856830.db2.gz MQYOMPQVVGRZBO-XBFCOCLRSA-N 1 0 248.370 2.431 20 10 BECDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(F)cc1O ZINC000817972775 586859655 /nfs/dbraw/zinc/85/96/55/586859655.db2.gz OMFIOVWGQCJVSQ-NXEZZACHSA-N 1 0 240.322 2.180 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c(O)c1C ZINC000818358328 586888892 /nfs/dbraw/zinc/88/88/92/586888892.db2.gz VMWDHBJHTQOTDR-RAIGVLPGSA-N 1 0 235.327 2.183 20 10 BECDRO CCOc1ccc(C[N@@H+]2CC[C@H](F)C2)c(O)c1 ZINC000824571044 587276933 /nfs/dbraw/zinc/27/69/33/587276933.db2.gz HRUPRCQMNZSBRZ-NSHDSACASA-N 1 0 239.290 2.335 20 10 BECDRO COc1cccc(C[N@@H+]2CC[C@H]2C2CC2)c1O ZINC000824649700 587280543 /nfs/dbraw/zinc/28/05/43/587280543.db2.gz FKHXKIYEYQSIOA-LBPRGKRZSA-N 1 0 233.311 2.385 20 10 BECDRO CCOCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825421633 587318780 /nfs/dbraw/zinc/31/87/80/587318780.db2.gz FIMSOVWYUOYRQG-UHFFFAOYSA-N 1 0 243.734 2.480 20 10 BECDRO Cc1cc(O)c(C[N@H+](C)CCCO)cc1Cl ZINC000825774295 587338334 /nfs/dbraw/zinc/33/83/34/587338334.db2.gz VXGGNIHFOHXUML-UHFFFAOYSA-N 1 0 243.734 2.168 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@@H]2C=CCC2)c1 ZINC000826941404 587366333 /nfs/dbraw/zinc/36/63/33/587366333.db2.gz JETMCFNKFAOUGK-LLVKDONJSA-N 1 0 219.284 2.209 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@H]2C=CCC2)c1 ZINC000826941406 587366367 /nfs/dbraw/zinc/36/63/67/587366367.db2.gz JETMCFNKFAOUGK-NSHDSACASA-N 1 0 219.284 2.209 20 10 BECDRO CO[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000827087613 587369931 /nfs/dbraw/zinc/36/99/31/587369931.db2.gz OYHOAMIUGWAQSS-GFCCVEGCSA-N 1 0 236.359 2.186 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506791 587384911 /nfs/dbraw/zinc/38/49/11/587384911.db2.gz MFPGQEDMSDVEPM-ZYHUDNBSSA-N 1 0 203.285 2.234 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](C)c2nccn2C)c1O ZINC000827722736 587399245 /nfs/dbraw/zinc/39/92/45/587399245.db2.gz SWKOKEJCRMCELF-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO OC[C@H](CC1CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834693741 587764441 /nfs/dbraw/zinc/76/44/41/587764441.db2.gz QKNMKKIGLOBGQA-QWHCGFSZSA-N 1 0 247.338 2.130 20 10 BECDRO COCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034878 587779312 /nfs/dbraw/zinc/77/93/12/587779312.db2.gz ZIHCSZHVDHKPLU-GQCTYLIASA-N 1 0 248.370 2.392 20 10 BECDRO C[C@H](CCO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040099 587779379 /nfs/dbraw/zinc/77/93/79/587779379.db2.gz OBTHQISTUHAHPN-MUBLQREKSA-N 1 0 248.370 2.126 20 10 BECDRO CO[C@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835049998 587779583 /nfs/dbraw/zinc/77/95/83/587779583.db2.gz LGDBHXVFWMKOND-URWSZGRFSA-N 1 0 248.370 2.390 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC[C@@H](C)O)c(Cl)c1 ZINC000840896800 587928484 /nfs/dbraw/zinc/92/84/84/587928484.db2.gz GROYFVLJZUUNTF-SECBINFHSA-N 1 0 243.734 2.215 20 10 BECDRO CCc1ncc(C[NH2+]Cc2ccccc2O)cn1 ZINC000840892138 587928669 /nfs/dbraw/zinc/92/86/69/587928669.db2.gz YNKSLWPTJLNKDP-UHFFFAOYSA-N 1 0 243.310 2.034 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCOCC1 ZINC000840911113 587929627 /nfs/dbraw/zinc/92/96/27/587929627.db2.gz PHAZUNWBDILPLB-UHFFFAOYSA-N 1 0 248.370 2.283 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC2)c(Cl)c1 ZINC000840908705 587929674 /nfs/dbraw/zinc/92/96/74/587929674.db2.gz YRFVFSNEATXPHI-VIFPVBQESA-N 1 0 241.718 2.233 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC[NH+](C)C ZINC000840928309 587930249 /nfs/dbraw/zinc/93/02/49/587930249.db2.gz OSNWHPCHZMMCAG-UHFFFAOYSA-N 1 0 249.402 2.102 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCF)c(Cl)c1 ZINC000840942586 587931369 /nfs/dbraw/zinc/93/13/69/587931369.db2.gz IPRIRHSQBKNDIU-UHFFFAOYSA-N 1 0 217.671 2.413 20 10 BECDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@H](O)C(C)C ZINC000840968094 587932642 /nfs/dbraw/zinc/93/26/42/587932642.db2.gz VIWAILWOVGZRLT-GXTWGEPZSA-N 1 0 237.343 2.277 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1O ZINC000840977813 587933439 /nfs/dbraw/zinc/93/34/39/587933439.db2.gz KBBHAFVJGTXXJZ-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO CCN(CC)c1ccc(CNCC(C)(C)[NH3+])cc1 ZINC000841030991 587935925 /nfs/dbraw/zinc/93/59/25/587935925.db2.gz NBVHFGWGMAOZGI-UHFFFAOYSA-N 1 0 249.402 2.360 20 10 BECDRO CC(C)[C@@H]([NH3+])CNCc1c(O)cccc1Cl ZINC000841030459 587936577 /nfs/dbraw/zinc/93/65/77/587936577.db2.gz RZWPHWMOASUYFY-NSHDSACASA-N 1 0 242.750 2.119 20 10 BECDRO C[C@H]1C[C@H](CNc2ccc(N)cc2)CC[NH2+]1 ZINC000841040626 587938524 /nfs/dbraw/zinc/93/85/24/587938524.db2.gz PYPKJZZVMDQKGS-WDEREUQCSA-N 1 0 219.332 2.069 20 10 BECDRO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(N)cc1 ZINC000841039925 587938757 /nfs/dbraw/zinc/93/87/57/587938757.db2.gz DYCIXZGCCZCQGC-MFKMUULPSA-N 1 0 219.332 2.211 20 10 BECDRO C[C@@H]1C[C@H](CNc2ccc(N)cc2)CC[NH2+]1 ZINC000841040623 587938781 /nfs/dbraw/zinc/93/87/81/587938781.db2.gz PYPKJZZVMDQKGS-GHMZBOCLSA-N 1 0 219.332 2.069 20 10 BECDRO CN(C)c1ccc([C@@H](N)C[NH2+]CC2(C)CC2)cc1 ZINC000841045753 587939400 /nfs/dbraw/zinc/93/94/00/587939400.db2.gz PHKIUBCPXFGJJL-AWEZNQCLSA-N 1 0 247.386 2.142 20 10 BECDRO C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841076590 587944165 /nfs/dbraw/zinc/94/41/65/587944165.db2.gz JORFGIJWBWDGDR-BQBZGAKWSA-N 1 0 246.713 2.010 20 10 BECDRO Cc1cc(O)c(CN[C@H]2CC[NH2+]C2(C)C)cc1C ZINC000841086851 587945781 /nfs/dbraw/zinc/94/57/81/587945781.db2.gz PIAGRKAKBMWNDH-AWEZNQCLSA-N 1 0 248.370 2.239 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H](CN)C(C)(C)C)cc1 ZINC000841087690 587945785 /nfs/dbraw/zinc/94/57/85/587945785.db2.gz QLYRNSFNBWNULT-CQSZACIVSA-N 1 0 249.402 2.216 20 10 BECDRO COCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744544 587973457 /nfs/dbraw/zinc/97/34/57/587973457.db2.gz PPFBMBSUNSTZDP-MRVPVSSYSA-N 1 0 229.707 2.343 20 10 BECDRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(N)cc1 ZINC000841846031 587977518 /nfs/dbraw/zinc/97/75/18/587977518.db2.gz JCRZZNSOGDLSJZ-GFCCVEGCSA-N 1 0 249.358 2.232 20 10 BECDRO COC[C@H](C)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058410 588078151 /nfs/dbraw/zinc/07/81/51/588078151.db2.gz RPLCDGXUMOMKLI-GFCCVEGCSA-N 1 0 248.370 2.180 20 10 BECDRO Nc1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000843125746 588084153 /nfs/dbraw/zinc/08/41/53/588084153.db2.gz HBXSRNTUQAPPCN-COPLHBTASA-N 1 0 231.343 2.069 20 10 BECDRO C[NH2+]CCCN1CCCc2cc(OC)ccc21 ZINC000843357293 588103552 /nfs/dbraw/zinc/10/35/52/588103552.db2.gz FYNCUAIGFFQFQU-UHFFFAOYSA-N 1 0 234.343 2.057 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000843428834 588108504 /nfs/dbraw/zinc/10/85/04/588108504.db2.gz NQYDNAKTJLPDSX-AWEZNQCLSA-N 1 0 247.338 2.393 20 10 BECDRO COc1ccc(N(C)CC[N@H+](C)CC2CC2)cc1 ZINC000844401834 588190262 /nfs/dbraw/zinc/19/02/62/588190262.db2.gz SCWLLRQVYLFTBU-UHFFFAOYSA-N 1 0 248.370 2.473 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](F)C1 ZINC000846120212 588258063 /nfs/dbraw/zinc/25/80/63/588258063.db2.gz MUKWABFEZYOXEI-JTQLQIEISA-N 1 0 239.290 2.335 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC000846120214 588258142 /nfs/dbraw/zinc/25/81/42/588258142.db2.gz MUKWABFEZYOXEI-SNVBAGLBSA-N 1 0 239.290 2.335 20 10 BECDRO COCCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846137393 588258447 /nfs/dbraw/zinc/25/84/47/588258447.db2.gz OWPOZWNQZRLDJB-SNVBAGLBSA-N 1 0 239.315 2.088 20 10 BECDRO COc1cccc([C@@H](C)[NH2+]CCF)c1O ZINC000846169307 588259036 /nfs/dbraw/zinc/25/90/36/588259036.db2.gz ZUCMKUNEYQYEOU-MRVPVSSYSA-N 1 0 213.252 2.021 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CCF)c1 ZINC000846208814 588260081 /nfs/dbraw/zinc/26/00/81/588260081.db2.gz LUKZLCPXWOOWNH-WDEREUQCSA-N 1 0 241.306 2.072 20 10 BECDRO CCc1cccc(C[N@H+](CCO)C2CCC2)c1O ZINC000848905810 588418701 /nfs/dbraw/zinc/41/87/01/588418701.db2.gz OQMWTLGJMMIMKM-UHFFFAOYSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[NH+]2CC(C)C2)c1O ZINC000848908448 588419330 /nfs/dbraw/zinc/41/93/30/588419330.db2.gz USRLBINNJXLNCU-UHFFFAOYSA-N 1 0 205.301 2.406 20 10 BECDRO [NH2+]=C(NCc1ccccc1O)N1CCCCCC1 ZINC000848984799 588425027 /nfs/dbraw/zinc/42/50/27/588425027.db2.gz FAOWLQOLYOTRLJ-UHFFFAOYSA-N 1 0 247.342 2.293 20 10 BECDRO Cc1cc(N(C)C)ccc1CN(C)CC(C)(C)[NH3+] ZINC000849350824 588474975 /nfs/dbraw/zinc/47/49/75/588474975.db2.gz XOQRMBWLUBYYLL-UHFFFAOYSA-N 1 0 249.402 2.230 20 10 BECDRO COc1cccc(O)c1C[NH2+]CCc1ccoc1 ZINC000850377013 588542122 /nfs/dbraw/zinc/54/21/22/588542122.db2.gz SCKYOVNUWMXMCB-UHFFFAOYSA-N 1 0 247.294 2.326 20 10 BECDRO COc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1O ZINC000850392060 588543854 /nfs/dbraw/zinc/54/38/54/588543854.db2.gz FXZUCENVMNBXCM-PTEHBNRSSA-N 1 0 233.311 2.289 20 10 BECDRO C[C@H]([NH2+]C/C=C/CO)c1cc(Cl)ccc1O ZINC000850507198 588553579 /nfs/dbraw/zinc/55/35/79/588553579.db2.gz DTPBJBXDRVWNNL-HPOULIHZSA-N 1 0 241.718 2.245 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C/C=C\CO)cc1 ZINC000850506935 588553615 /nfs/dbraw/zinc/55/36/15/588553615.db2.gz CRQGKVCAQIKKSI-CFHLNLSMSA-N 1 0 248.370 2.342 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]C/C=C\CO)c(O)c1 ZINC000850509089 588554491 /nfs/dbraw/zinc/55/44/91/588554491.db2.gz PBWLYZFYZJOKFS-RXNFCKPNSA-N 1 0 235.327 2.208 20 10 BECDRO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(N)cc1 ZINC000852790556 588702964 /nfs/dbraw/zinc/70/29/64/588702964.db2.gz RYHLTQVZZIEBIL-NSHDSACASA-N 1 0 249.358 2.218 20 10 BECDRO CC[C@H](C)[N@H+](CCO)Cc1cccc(C)c1O ZINC000862387291 589207283 /nfs/dbraw/zinc/20/72/83/589207283.db2.gz JLQFEVZIVINAPQ-LBPRGKRZSA-N 1 0 237.343 2.293 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC2COC2)cc1Cl ZINC000862532283 589218433 /nfs/dbraw/zinc/21/84/33/589218433.db2.gz VWQLGNXYGRZLHN-UHFFFAOYSA-N 1 0 241.718 2.090 20 10 BECDRO COc1ccc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000863485325 589293099 /nfs/dbraw/zinc/29/30/99/589293099.db2.gz ZGPDZPAYLROXBQ-TZMCWYRMSA-N 1 0 248.370 2.234 20 10 BECDRO Cc1cc(O)c(CN[C@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000863484173 589293481 /nfs/dbraw/zinc/29/34/81/589293481.db2.gz HPZDHJOGURHQET-JSGCOSHPSA-N 1 0 248.370 2.239 20 10 BECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCc2cccc(O)c21 ZINC000863543519 589297316 /nfs/dbraw/zinc/29/73/16/589297316.db2.gz PSENRTGSBBFOSQ-YNEHKIRRSA-N 1 0 246.354 2.110 20 10 BECDRO C[C@@H]1CC[C@@H](N[C@@H]2CCc3cccc(O)c32)C[NH2+]1 ZINC000863548026 589298242 /nfs/dbraw/zinc/29/82/42/589298242.db2.gz UEZQIWYCOUIPHR-RAIGVLPGSA-N 1 0 246.354 2.110 20 10 BECDRO Cc1cc(C)c([C@@H](C)N[C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000863547218 589298538 /nfs/dbraw/zinc/29/85/38/589298538.db2.gz PPPAIUSUZMIQGN-YNEHKIRRSA-N 1 0 248.370 2.410 20 10 BECDRO CN(CC[C@@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000863558725 589299094 /nfs/dbraw/zinc/29/90/94/589299094.db2.gz USMILBICGFRGOG-LBPRGKRZSA-N 1 0 233.359 2.095 20 10 BECDRO Cc1cc(O)c(CN(C)C[C@H](C)[NH3+])c(Cl)c1 ZINC000863652528 589307819 /nfs/dbraw/zinc/30/78/19/589307819.db2.gz UCYWWGPGYZQAQF-VIFPVBQESA-N 1 0 242.750 2.133 20 10 BECDRO CCC(CC)NC(=[NH2+])NCc1ccccc1O ZINC000864453905 589365881 /nfs/dbraw/zinc/36/58/81/589365881.db2.gz RHGVEXLHWIZFGM-UHFFFAOYSA-N 1 0 235.331 2.195 20 10 BECDRO COc1ccc(N(C[C@H](C)[NH3+])CC2CC2)cc1 ZINC000866672657 589510611 /nfs/dbraw/zinc/51/06/11/589510611.db2.gz QBNFIJIUYZJZFN-NSHDSACASA-N 1 0 234.343 2.259 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1C ZINC000872266618 589902731 /nfs/dbraw/zinc/90/27/31/589902731.db2.gz JFFUYZVYTWMSNO-OKILXGFUSA-N 1 0 247.338 2.087 20 10 BECDRO Cc1ccc(O)c(CN[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230421 590001765 /nfs/dbraw/zinc/00/17/65/590001765.db2.gz RFGHINZSBXEKTI-CABCVRRESA-N 1 0 246.354 2.075 20 10 BECDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000020087563 590073351 /nfs/dbraw/zinc/07/33/51/590073351.db2.gz QWPWURZKIMWJEA-MNOVXSKESA-N 1 0 223.316 2.386 20 10 BECDRO CC[C@@H](CCO)C[NH2+]Cc1cccc(C)c1O ZINC000124859211 590094668 /nfs/dbraw/zinc/09/46/68/590094668.db2.gz DVKUJZXLSXPHRS-LBPRGKRZSA-N 1 0 237.343 2.199 20 10 BECDRO CCCN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876522841 590207832 /nfs/dbraw/zinc/20/78/32/590207832.db2.gz DQNZMFOXMSIKCV-UHFFFAOYSA-N 1 0 248.370 2.228 20 10 BECDRO CC[C@H]1COCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876617952 590222598 /nfs/dbraw/zinc/22/25/98/590222598.db2.gz XVGIUJDJNOBDOW-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCCOC[C@@H]1C ZINC000876751972 590237948 /nfs/dbraw/zinc/23/79/48/590237948.db2.gz CEECMMOEVBNPPH-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)c(O)c1 ZINC000876931185 590258182 /nfs/dbraw/zinc/25/81/82/590258182.db2.gz KTMUGMVBDKACRR-PWSUYJOCSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)c(O)c1 ZINC000876929692 590258387 /nfs/dbraw/zinc/25/83/87/590258387.db2.gz MECXDDBNQJJKOR-LBPRGKRZSA-N 1 0 245.326 2.075 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)CC(C)C ZINC000876987890 590265361 /nfs/dbraw/zinc/26/53/61/590265361.db2.gz MEZGCFYONNXCGU-LBPRGKRZSA-N 1 0 237.343 2.197 20 10 BECDRO COCC[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000876994591 590267016 /nfs/dbraw/zinc/26/70/16/590267016.db2.gz KMTLZYZOYDGSIM-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000877024064 590270268 /nfs/dbraw/zinc/27/02/68/590270268.db2.gz PKBKUOKKMDAFFP-LBPRGKRZSA-N 1 0 248.370 2.273 20 10 BECDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1c(C)cccc1O ZINC000877024620 590270877 /nfs/dbraw/zinc/27/08/77/590270877.db2.gz JLWSHCVSTWUROI-IINYFYTJSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(C[NH2+]C[C@](C)(O)C(C)C)c(O)c1 ZINC000877042883 590273572 /nfs/dbraw/zinc/27/35/72/590273572.db2.gz AVFJMXJHOZJHSW-AWEZNQCLSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(C[NH2+]CCc2cscn2)c(O)c1 ZINC000877062179 590276844 /nfs/dbraw/zinc/27/68/44/590276844.db2.gz ZVCQMXANYFBHET-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c(O)c1 ZINC000877070919 590277655 /nfs/dbraw/zinc/27/76/55/590277655.db2.gz YUMXOBSNQCCHHA-GXTWGEPZSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCSC1 ZINC000877072031 590277911 /nfs/dbraw/zinc/27/79/11/590277911.db2.gz GGNRBOPIJJKNIW-JTQLQIEISA-N 1 0 223.341 2.296 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCc1ccncc1 ZINC000877089217 590281097 /nfs/dbraw/zinc/28/10/97/590281097.db2.gz GNUMNXJLHLIHBL-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO CC[C@H](CCO)C[NH2+]Cc1ccc(C)cc1O ZINC000877110948 590287210 /nfs/dbraw/zinc/28/72/10/590287210.db2.gz GRRLXGCFGREFDM-GFCCVEGCSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1ccc(C[NH2+]CCC[C@H](C)CO)c(O)c1 ZINC000877127240 590290116 /nfs/dbraw/zinc/29/01/16/590290116.db2.gz BZLXSIWGGSGWOC-LBPRGKRZSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCCOCC2)c(O)c1 ZINC000877139128 590291415 /nfs/dbraw/zinc/29/14/15/590291415.db2.gz IGBHJINDRWGUME-ZDUSSCGKSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[N@H+]2CC=CCC2)c(O)c1 ZINC000877168618 590295672 /nfs/dbraw/zinc/29/56/72/590295672.db2.gz XFNMVIGQLRZTBC-UHFFFAOYSA-N 1 0 203.285 2.463 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c(O)c1 ZINC000877322239 590316583 /nfs/dbraw/zinc/31/65/83/590316583.db2.gz ABVCCRAZLRWDKH-AWEZNQCLSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c(O)c1 ZINC000877409686 590323717 /nfs/dbraw/zinc/32/37/17/590323717.db2.gz XZEXVQYYXKPBCQ-CHWSQXEVSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)c(O)c1 ZINC000877407064 590323934 /nfs/dbraw/zinc/32/39/34/590323934.db2.gz MEYWLNFEZYYSJQ-STQMWFEESA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(C[NH2+]C2CCC(O)CC2)c(O)c1 ZINC000877423443 590325254 /nfs/dbraw/zinc/32/52/54/590325254.db2.gz ADZDVNNVVHLZQO-UHFFFAOYSA-N 1 0 235.327 2.094 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)c(O)c1 ZINC000877441127 590328088 /nfs/dbraw/zinc/32/80/88/590328088.db2.gz XOEULZBJVHOSOM-STQMWFEESA-N 1 0 235.327 2.094 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c(O)c1 ZINC000877442710 590328944 /nfs/dbraw/zinc/32/89/44/590328944.db2.gz UMGOPILYNAPGOH-TZMCWYRMSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000877442398 590329317 /nfs/dbraw/zinc/32/93/17/590329317.db2.gz GZFYLHAAZPTXSQ-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877464110 590332711 /nfs/dbraw/zinc/33/27/11/590332711.db2.gz GFYYHWHHHFTTOO-QWRGUYRKSA-N 1 0 223.316 2.214 20 10 BECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877464111 590332737 /nfs/dbraw/zinc/33/27/37/590332737.db2.gz GFYYHWHHHFTTOO-WDEREUQCSA-N 1 0 223.316 2.214 20 10 BECDRO Cc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c(O)c1 ZINC000877488245 590338481 /nfs/dbraw/zinc/33/84/81/590338481.db2.gz CYTBQVIJDQJFHR-CYBMUJFWSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000877489517 590340192 /nfs/dbraw/zinc/34/01/92/590340192.db2.gz PRPZMZSHNSBGPY-GFCCVEGCSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(C[NH2+][C@H](CO)CC2CCC2)c(O)c1 ZINC000877491398 590340520 /nfs/dbraw/zinc/34/05/20/590340520.db2.gz RNLLENGPPNUAFG-AWEZNQCLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c(O)c1 ZINC000877518736 590345491 /nfs/dbraw/zinc/34/54/91/590345491.db2.gz GGLNBTCBZXHSHI-OLZOCXBDSA-N 1 0 249.354 2.463 20 10 BECDRO CO[C@@H](C[NH2+]Cc1c(C)cccc1O)C1CC1 ZINC000877551840 590355631 /nfs/dbraw/zinc/35/56/31/590355631.db2.gz FCYBFGAOGAJNAI-AWEZNQCLSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC[C@@H](C)CCO ZINC000877556403 590357402 /nfs/dbraw/zinc/35/74/02/590357402.db2.gz FTOSTJIWNUCMIN-LLVKDONJSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1ccc(C[N@@H+](C(C)C)C2COC2)c(O)c1 ZINC000877558093 590358364 /nfs/dbraw/zinc/35/83/64/590358364.db2.gz WHQJVLHXQNHYKD-UHFFFAOYSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC1=CCOCC1 ZINC000877559239 590358572 /nfs/dbraw/zinc/35/85/72/590358572.db2.gz ULGQMAGAPFQCGQ-UHFFFAOYSA-N 1 0 233.311 2.137 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](F)C1 ZINC000877558352 590359303 /nfs/dbraw/zinc/35/93/03/590359303.db2.gz FKMGAVZSPXZKDQ-JTQLQIEISA-N 1 0 209.264 2.244 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCOC2(C)C)c(O)c1 ZINC000877562153 590359839 /nfs/dbraw/zinc/35/98/39/590359839.db2.gz VTPLNYKTBBYDNH-ZDUSSCGKSA-N 1 0 235.327 2.358 20 10 BECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877561391 590360110 /nfs/dbraw/zinc/36/01/10/590360110.db2.gz LWMYCIMVRNTZAJ-ZIAGYGMSSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000877579054 590364651 /nfs/dbraw/zinc/36/46/51/590364651.db2.gz RUOOJXCYVUBFLJ-NEPJUHHUSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(C[NH2+]C(C)(C)CN(C)C)c(O)c1 ZINC000877579590 590365058 /nfs/dbraw/zinc/36/50/58/590365058.db2.gz WESQAVNTNYCIOP-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CC(C(F)F)C1 ZINC000877581125 590365582 /nfs/dbraw/zinc/36/55/82/590365582.db2.gz YCXNKDBQVBIBQN-UHFFFAOYSA-N 1 0 227.254 2.398 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c(O)c1 ZINC000877593249 590368672 /nfs/dbraw/zinc/36/86/72/590368672.db2.gz QVXDAGJOGRIRDG-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000877592312 590369273 /nfs/dbraw/zinc/36/92/73/590369273.db2.gz NMWGFLMDPJEESP-CHWSQXEVSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000877592315 590369285 /nfs/dbraw/zinc/36/92/85/590369285.db2.gz NMWGFLMDPJEESP-STQMWFEESA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c(O)c1 ZINC000877594864 590370064 /nfs/dbraw/zinc/37/00/64/590370064.db2.gz LGXCDSDYFDKNNN-OLZOCXBDSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCC1(CO)CCC1 ZINC000877615285 590374527 /nfs/dbraw/zinc/37/45/27/590374527.db2.gz SZVAQQLZMJIOOR-UHFFFAOYSA-N 1 0 249.354 2.343 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000877632298 590378149 /nfs/dbraw/zinc/37/81/49/590378149.db2.gz USSRELKYSAQEAA-ZIAGYGMSSA-N 1 0 247.338 2.094 20 10 BECDRO CN(C)c1ccc(/C=C\C[NH2+]C2CSC2)cc1 ZINC000877633955 590378542 /nfs/dbraw/zinc/37/85/42/590378542.db2.gz IVECTPQGNACCRN-ARJAWSKDSA-N 1 0 248.395 2.471 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H](C)c1nccn1C ZINC000877639938 590381515 /nfs/dbraw/zinc/38/15/15/590381515.db2.gz HAFDEWTZTXFOAE-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000877658754 590386247 /nfs/dbraw/zinc/38/62/47/590386247.db2.gz WKYHPHRGKFBUMV-DOMZBBRYSA-N 1 0 247.338 2.358 20 10 BECDRO CCC[C@@H](CCO)[NH2+]Cc1c(C)cccc1O ZINC000877666466 590388618 /nfs/dbraw/zinc/38/86/18/590388618.db2.gz BVNQESKQQYWSLO-LBPRGKRZSA-N 1 0 237.343 2.341 20 10 BECDRO CCC[C@H](CCO)[NH2+]Cc1ccc(C)cc1O ZINC000877666856 590389213 /nfs/dbraw/zinc/38/92/13/590389213.db2.gz IYCXZJZSEVUTHY-CYBMUJFWSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877690629 590392587 /nfs/dbraw/zinc/39/25/87/590392587.db2.gz DGSKPDQGCYJCNL-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO C[C@@H]1C[C@H]1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703071 590396115 /nfs/dbraw/zinc/39/61/15/590396115.db2.gz PZBDWVGPBQULBN-KOLCDFICSA-N 1 0 203.285 2.364 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1O ZINC000877752106 590416119 /nfs/dbraw/zinc/41/61/19/590416119.db2.gz MYCCHBUQMCWGMN-ZDUSSCGKSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1O ZINC000877755580 590416944 /nfs/dbraw/zinc/41/69/44/590416944.db2.gz GLTWUXBGGHVFQA-TUAOUCFPSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1O ZINC000877756592 590417839 /nfs/dbraw/zinc/41/78/39/590417839.db2.gz WLJRWYKTQJNOSY-JFGNBEQYSA-N 1 0 221.300 2.220 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1O ZINC000877755855 590418147 /nfs/dbraw/zinc/41/81/47/590418147.db2.gz OZTIGFDMUFHJSJ-DMDPSCGWSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@@H]([NH2+]Cc1ccccc1O)c1cnccn1 ZINC000130432124 591467929 /nfs/dbraw/zinc/46/79/29/591467929.db2.gz RTBHBEVIYLZYTB-SNVBAGLBSA-N 1 0 229.283 2.033 20 10 BECDRO CC[C@H](O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000131707247 591643976 /nfs/dbraw/zinc/64/39/76/591643976.db2.gz OQDIACVAZMIUGS-NSHDSACASA-N 1 0 243.734 2.296 20 10 BECDRO CN(CC[NH+](C)C)Cc1c(O)cccc1Cl ZINC000132736858 591734701 /nfs/dbraw/zinc/73/47/01/591734701.db2.gz UPPSLCBILDRXIA-UHFFFAOYSA-N 1 0 242.750 2.039 20 10 BECDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc(N)cc1 ZINC000884009323 591796686 /nfs/dbraw/zinc/79/66/86/591796686.db2.gz SRRZJWBDJVLTHM-LBPRGKRZSA-N 1 0 249.358 2.217 20 10 BECDRO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000134229636 591903078 /nfs/dbraw/zinc/90/30/78/591903078.db2.gz XUVSYQFMMSQXQP-SECBINFHSA-N 1 0 249.310 2.257 20 10 BECDRO OCC1(C[NH2+]Cc2ccccc2O)CCCC1 ZINC000135074770 591982745 /nfs/dbraw/zinc/98/27/45/591982745.db2.gz QAFCLZDCLFERNO-UHFFFAOYSA-N 1 0 235.327 2.035 20 10 BECDRO CC1(C)COC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000313023440 634438569 /nfs/dbraw/zinc/43/85/69/634438569.db2.gz ORCMMXCARHFKGJ-LBPRGKRZSA-N 1 0 239.290 2.046 20 10 BECDRO COC1CC([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000230674342 635491328 /nfs/dbraw/zinc/49/13/28/635491328.db2.gz MZDIOWMOGVKEFV-WHXUTIOJSA-N 1 0 221.300 2.220 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C(C)(C)CN(C)C)c1 ZINC000308610837 631447663 /nfs/dbraw/zinc/44/76/63/631447663.db2.gz ZMMVEJLUFKLLPK-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO CSCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000308959010 631755433 /nfs/dbraw/zinc/75/54/33/631755433.db2.gz YMATZGKWYGIFQL-JTQLQIEISA-N 1 0 223.341 2.332 20 10 BECDRO COc1ccc(N(C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091543915 632069071 /nfs/dbraw/zinc/06/90/71/632069071.db2.gz OHRNJRVHTKFAIC-NEPJUHHUSA-N 1 0 234.343 2.259 20 10 BECDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000829418836 632112791 /nfs/dbraw/zinc/11/27/91/632112791.db2.gz GEJKAVMLADGQCG-UKRRQHHQSA-N 1 0 248.370 2.267 20 10 BECDRO [O-]c1c(Cl)cccc1C[NH2+]Cc1cocn1 ZINC000309488564 632419428 /nfs/dbraw/zinc/41/94/28/632419428.db2.gz HNQZNRFIFDSLCY-UHFFFAOYSA-N 1 0 238.674 2.323 20 10 BECDRO COC[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000309513358 632434094 /nfs/dbraw/zinc/43/40/94/632434094.db2.gz QKFGZDNODWWBSG-MWLCHTKSSA-N 1 0 221.300 2.004 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@@H]1C)c1ccccc1O ZINC000235203271 632524572 /nfs/dbraw/zinc/52/45/72/632524572.db2.gz STVLIJJLGWFINX-UTUOFQBUSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000309817287 632672728 /nfs/dbraw/zinc/67/27/28/632672728.db2.gz VMVCDXCITRAZLR-KWQFWETISA-N 1 0 241.331 2.372 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CCC(C)(O)CC2)c1 ZINC000179726577 632757473 /nfs/dbraw/zinc/75/74/73/632757473.db2.gz PIWXFARRERDXCN-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO CN(C)c1ccc(C[NH2+]C2CSC2)cc1F ZINC000309430813 633061905 /nfs/dbraw/zinc/06/19/05/633061905.db2.gz GDHCCOIGUUGDNA-UHFFFAOYSA-N 1 0 240.347 2.097 20 10 BECDRO Cc1cccc(C[N@H+](C)CCn2cccn2)c1O ZINC000180222175 633883791 /nfs/dbraw/zinc/88/37/91/633883791.db2.gz ZGGJJUXJWOWENA-UHFFFAOYSA-N 1 0 245.326 2.029 20 10 BECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)O)c1O ZINC000309878556 633889082 /nfs/dbraw/zinc/88/90/82/633889082.db2.gz ULKAHHXZIBFAPY-BDAKNGLRSA-N 1 0 243.734 2.385 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]Cc1ccoc1 ZINC000180507970 633893774 /nfs/dbraw/zinc/89/37/74/633893774.db2.gz VLUGHWVIQIGBEX-UHFFFAOYSA-N 1 0 221.231 2.414 20 10 BECDRO COC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000181078085 633909237 /nfs/dbraw/zinc/90/92/37/633909237.db2.gz NCSJHFHTXWNLNK-UHFFFAOYSA-N 1 0 247.338 2.280 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CC1(O)CCCC1)CC2 ZINC000311129757 634222728 /nfs/dbraw/zinc/22/27/28/634222728.db2.gz BVOROMMIUFHMKC-LBPRGKRZSA-N 1 0 247.338 2.274 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1 ZINC000258744125 635194203 /nfs/dbraw/zinc/19/42/03/635194203.db2.gz JQBVFRZQXZFQDR-CQSZACIVSA-N 1 0 248.370 2.098 20 10 BECDRO CC(C)(CCO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258933605 635224680 /nfs/dbraw/zinc/22/46/80/635224680.db2.gz VONGAVZBHZHSHT-UHFFFAOYSA-N 1 0 249.354 2.262 20 10 BECDRO CCOc1ccc(N(C)C[C@H]2CC[NH2+]C2)cc1 ZINC000258926632 635226220 /nfs/dbraw/zinc/22/62/20/635226220.db2.gz OYTCHSQYXBZDEG-LBPRGKRZSA-N 1 0 234.343 2.131 20 10 BECDRO Oc1ccccc1C[NH2+]CCc1ccco1 ZINC000035661753 639810819 /nfs/dbraw/zinc/81/08/19/639810819.db2.gz GBEHZYPLZWKOKX-UHFFFAOYSA-N 1 0 217.268 2.318 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccccc1O ZINC000044684220 640452812 /nfs/dbraw/zinc/45/28/12/640452812.db2.gz AJBIFKYLMBZFOV-NEPJUHHUSA-N 1 0 246.354 2.280 20 10 BECDRO COC[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000164403008 640481689 /nfs/dbraw/zinc/48/16/89/640481689.db2.gz FBYXBFOOVCIVOI-LLVKDONJSA-N 1 0 223.316 2.134 20 10 BECDRO Cc1cc(C)c(O)c(C[N@H+](C)C[C@@H]2CCOC2)c1 ZINC000164459596 640484251 /nfs/dbraw/zinc/48/42/51/640484251.db2.gz BKCHHGZEOFDOMO-ZDUSSCGKSA-N 1 0 249.354 2.477 20 10 BECDRO C[C@H]([NH2+]CC1(CO)CC1)c1ccc(N(C)C)cc1 ZINC000157323120 640665897 /nfs/dbraw/zinc/66/58/97/640665897.db2.gz JVNPOIPXGNDMGN-LBPRGKRZSA-N 1 0 248.370 2.176 20 10 BECDRO COC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111329 640845696 /nfs/dbraw/zinc/84/56/96/640845696.db2.gz XZVLXNWYTCWHMV-DTWKUNHWSA-N 1 0 227.279 2.217 20 10 BECDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccccc1O ZINC000230150855 641031529 /nfs/dbraw/zinc/03/15/29/641031529.db2.gz GGKMMYVESVGHSB-GXFFZTMASA-N 1 0 221.300 2.049 20 10 BECDRO c1cc2c(cc1C[NH2+]C[C@H]1CCCO1)CCCO2 ZINC000062351253 641040077 /nfs/dbraw/zinc/04/00/77/641040077.db2.gz JFGVVSYRVTWWDH-CQSZACIVSA-N 1 0 247.338 2.280 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000230669380 641078042 /nfs/dbraw/zinc/07/80/42/641078042.db2.gz LKAILHMVPJLVDQ-YPMHNXCESA-N 1 0 235.327 2.033 20 10 BECDRO Cc1cc(O)c(C[NH2+]Cc2cncn2C)cc1C ZINC000289736232 641150086 /nfs/dbraw/zinc/15/00/86/641150086.db2.gz GPIILAAAKCQWQV-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO COc1cc(C[NH2+]Cc2ccccc2O)ccn1 ZINC000060942039 641181242 /nfs/dbraw/zinc/18/12/42/641181242.db2.gz UIRFMTKAESQDFA-UHFFFAOYSA-N 1 0 244.294 2.086 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000039225794 641217500 /nfs/dbraw/zinc/21/75/00/641217500.db2.gz BDKIGUZKDNCELL-HNNXBMFYSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1O ZINC000914436136 641705471 /nfs/dbraw/zinc/70/54/71/641705471.db2.gz PUKCSIBHPRRPSS-ZIAGYGMSSA-N 1 0 247.338 2.215 20 10 BECDRO CC(C)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000075666383 641767406 /nfs/dbraw/zinc/76/74/06/641767406.db2.gz ZMTHFZDLNYSCES-UHFFFAOYSA-N 1 0 249.310 2.494 20 10 BECDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000324365975 641780949 /nfs/dbraw/zinc/78/09/49/641780949.db2.gz WSCYSLZCWRVKPE-NSHDSACASA-N 1 0 249.310 2.399 20 10 BECDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000077423894 641855916 /nfs/dbraw/zinc/85/59/16/641855916.db2.gz VVCWZOVBGNMUGF-DTWKUNHWSA-N 1 0 243.734 2.152 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000154479542 642108103 /nfs/dbraw/zinc/10/81/03/642108103.db2.gz HFZYKSYZZMQDDS-AWEZNQCLSA-N 1 0 249.354 2.436 20 10 BECDRO COCCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000154911348 642303385 /nfs/dbraw/zinc/30/33/85/642303385.db2.gz VBJTWGYOWBPFSB-UHFFFAOYSA-N 1 0 236.359 2.221 20 10 BECDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000097987278 642652057 /nfs/dbraw/zinc/65/20/57/642652057.db2.gz GZJISGMQQYWBDG-AOOOYVTPSA-N 1 0 249.310 2.209 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H](O)c2ccco2)c1O ZINC000305778325 642692502 /nfs/dbraw/zinc/69/25/02/642692502.db2.gz MHGAJZFXJDOCSX-LBPRGKRZSA-N 1 0 247.294 2.117 20 10 BECDRO Cc1cccc(C[N@@H+](C[C@@H](C)O)C(C)C)c1O ZINC000305775777 642692598 /nfs/dbraw/zinc/69/25/98/642692598.db2.gz NXYZBYAXEPZSBC-GFCCVEGCSA-N 1 0 237.343 2.292 20 10 BECDRO C[C@@H]1OCC[N@H+](Cc2ccccc2O)[C@H]1C ZINC000179575430 642725355 /nfs/dbraw/zinc/72/53/55/642725355.db2.gz GFRAFCAIAAKLRZ-QWRGUYRKSA-N 1 0 221.300 2.001 20 10 BECDRO CC[C@@](C)(CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000070899079 643080067 /nfs/dbraw/zinc/08/00/67/643080067.db2.gz FFTMWEWMHJEBEA-LBPRGKRZSA-N 1 0 243.734 2.296 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2C)c1 ZINC000071273192 643114447 /nfs/dbraw/zinc/11/44/47/643114447.db2.gz ATDVFEREYKYICP-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000183509650 643140429 /nfs/dbraw/zinc/14/04/29/643140429.db2.gz KPNVJPJMJLQDFM-RISCZKNCSA-N 1 0 237.343 2.450 20 10 BECDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000183510593 643140463 /nfs/dbraw/zinc/14/04/63/643140463.db2.gz GYCQFIWHSZBRRN-COPLHBTASA-N 1 0 237.343 2.450 20 10 BECDRO CCCN(Cc1cc(C)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000071409556 643141964 /nfs/dbraw/zinc/14/19/64/643141964.db2.gz XPHCGNSSDQWXSF-CQSZACIVSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC2(CO)CCC2)cc1C ZINC000184378516 643208353 /nfs/dbraw/zinc/20/83/53/643208353.db2.gz VLTQHKNWTYWGHN-UHFFFAOYSA-N 1 0 249.354 2.261 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000042545704 643510642 /nfs/dbraw/zinc/51/06/42/643510642.db2.gz NFPRXPDSDMQKHV-GXTWGEPZSA-N 1 0 247.386 2.107 20 10 BECDRO CCOC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000044691810 643547231 /nfs/dbraw/zinc/54/72/31/643547231.db2.gz SFGYZPQFJUKETL-LLVKDONJSA-N 1 0 235.327 2.136 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccccc1O ZINC000044684213 643547406 /nfs/dbraw/zinc/54/74/06/643547406.db2.gz AJBIFKYLMBZFOV-NWDGAFQWSA-N 1 0 246.354 2.280 20 10 BECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000049948674 643563420 /nfs/dbraw/zinc/56/34/20/643563420.db2.gz RFMYJEKYMRSLNI-UKRRQHHQSA-N 1 0 247.338 2.279 20 10 BECDRO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccccc1O ZINC000186280451 643673388 /nfs/dbraw/zinc/67/33/88/643673388.db2.gz VMQNPHJMSUEDAC-DYEKYZERSA-N 1 0 235.327 2.346 20 10 BECDRO FCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921861130 643810876 /nfs/dbraw/zinc/81/08/76/643810876.db2.gz VSOGCQKAUKAIKE-UHFFFAOYSA-N 1 0 223.291 2.461 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](C)O ZINC000922160824 643880173 /nfs/dbraw/zinc/88/01/73/643880173.db2.gz XQVUYGZAVCYHJA-FZMZJTMJSA-N 1 0 249.354 2.261 20 10 BECDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922298037 643959366 /nfs/dbraw/zinc/95/93/66/643959366.db2.gz NSLHDKIFWAZFBB-HDJSIYSDSA-N 1 0 247.338 2.279 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C)[C@H]2C)cc1C ZINC000922557877 644024936 /nfs/dbraw/zinc/02/49/36/644024936.db2.gz UZXQJJNGFBDINE-GXTWGEPZSA-N 1 0 248.370 2.191 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2COC[C@@H]2C)cc1C ZINC000922641785 644056661 /nfs/dbraw/zinc/05/66/61/644056661.db2.gz RESUFYWODLQUGW-AAEUAGOBSA-N 1 0 235.327 2.134 20 10 BECDRO C[C@@]1(C[NH2+]Cc2ccccc2O)CCCCO1 ZINC000922815369 644105240 /nfs/dbraw/zinc/10/52/40/644105240.db2.gz BIWRDFMWOPONBD-AWEZNQCLSA-N 1 0 235.327 2.441 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)C2CC2)cc1 ZINC000193988653 644292833 /nfs/dbraw/zinc/29/28/33/644292833.db2.gz YPRHHJLRZZVWPK-UHFFFAOYSA-N 1 0 204.317 2.347 20 10 BECDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(N(C)C)cc1 ZINC000087009564 644463083 /nfs/dbraw/zinc/46/30/83/644463083.db2.gz NYSUPZSWYUCTGX-LLVKDONJSA-N 1 0 236.359 2.174 20 10 BECDRO CC[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1O ZINC000087784629 644502644 /nfs/dbraw/zinc/50/26/44/644502644.db2.gz VUXJNRZMXWZVNM-ZYHUDNBSSA-N 1 0 221.300 2.222 20 10 BECDRO C[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756448385 644628242 /nfs/dbraw/zinc/62/82/42/644628242.db2.gz BWEMGJSXVXUYCO-XKSSXDPKSA-N 1 0 239.290 2.050 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000091917240 644641991 /nfs/dbraw/zinc/64/19/91/644641991.db2.gz IDPWGURLXALGNF-UHFFFAOYSA-N 1 0 248.370 2.363 20 10 BECDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1ccccc1O ZINC000783518255 644756661 /nfs/dbraw/zinc/75/66/61/644756661.db2.gz LINSZVVLXCXWMQ-ZWNOBZJWSA-N 1 0 235.327 2.204 20 10 BECDRO COc1cc(C[N@@H+]2CC[C@H](F)C2)c(O)cc1C ZINC000840105033 644866255 /nfs/dbraw/zinc/86/62/55/644866255.db2.gz WPKCUOWQOLVRJA-NSHDSACASA-N 1 0 239.290 2.253 20 10 BECDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccccc1O ZINC000252813166 644909915 /nfs/dbraw/zinc/90/99/15/644909915.db2.gz IBENYMQKHMECRB-IJLUTSLNSA-N 1 0 235.327 2.346 20 10 BECDRO Cc1cc(O)c(C[NH+]2CC3(C2)CCOC3)cc1C ZINC000816669517 644965237 /nfs/dbraw/zinc/96/52/37/644965237.db2.gz UDLSZRLOEHVCGF-UHFFFAOYSA-N 1 0 247.338 2.231 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@H]2CCCC[NH2+]C2)c1 ZINC000817984665 644994353 /nfs/dbraw/zinc/99/43/53/644994353.db2.gz XDMQPFYHTKTWQT-STQMWFEESA-N 1 0 248.370 2.493 20 10 BECDRO OCC1(CC[NH2+]Cc2ccccc2O)CCC1 ZINC000846102284 645404270 /nfs/dbraw/zinc/40/42/70/645404270.db2.gz LATBSUKTTFHREC-UHFFFAOYSA-N 1 0 235.327 2.035 20 10 BECDRO Oc1ccccc1C[NH2+]CCOCC(F)(F)F ZINC000111607854 645500074 /nfs/dbraw/zinc/50/00/74/645500074.db2.gz GEZKDSBTGNHTRM-UHFFFAOYSA-N 1 0 249.232 2.061 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H]2CCC=CO2)c(O)c1 ZINC000877459573 645796914 /nfs/dbraw/zinc/79/69/14/645796914.db2.gz LDINSVRGTXTOGA-CYBMUJFWSA-N 1 0 233.311 2.483 20 10 BECDRO Cc1ccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c(O)c1 ZINC000877628006 645802152 /nfs/dbraw/zinc/80/21/52/645802152.db2.gz CGLIPPXKCSKBRA-RYUDHWBXSA-N 1 0 249.354 2.149 20 10 BECDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877626829 645802651 /nfs/dbraw/zinc/80/26/51/645802651.db2.gz YZAOPHICSIDOIW-JOCQHMNTSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1nc(C)c(C[N@@H+](C)Cc2ccccc2O)[nH]1 ZINC000929974743 646381359 /nfs/dbraw/zinc/38/13/59/646381359.db2.gz ADTAIMANTZPUIA-UHFFFAOYSA-N 1 0 245.326 2.364 20 10 BECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C(C)(C)C ZINC000382210032 711602482 /nfs/dbraw/zinc/60/24/82/711602482.db2.gz CRKWNRFRBVGMFL-UHFFFAOYSA-N 1 0 237.299 2.351 20 10 BECDRO Oc1cccc(Cl)c1C[NH2+]CCOCCF ZINC000705766571 712137217 /nfs/dbraw/zinc/13/72/17/712137217.db2.gz ZFHRUSXJBVWXPR-UHFFFAOYSA-N 1 0 247.697 2.121 20 10 BECDRO COCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000378758713 712360897 /nfs/dbraw/zinc/36/08/97/712360897.db2.gz ZMRWHBJMHHZDEB-LLVKDONJSA-N 1 0 223.316 2.306 20 10 BECDRO CCSCC[NH2+]Cc1ccc(OC)cc1O ZINC000380845121 712395096 /nfs/dbraw/zinc/39/50/96/712395096.db2.gz WBUFOJIZSJSDKM-UHFFFAOYSA-N 1 0 241.356 2.244 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000714444254 712489719 /nfs/dbraw/zinc/48/97/19/712489719.db2.gz SEQYMOJDWBPNMR-WVSHTKLVSA-N 1 0 239.290 2.046 20 10 BECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(F)ccc1O ZINC000716853650 712578620 /nfs/dbraw/zinc/57/86/20/712578620.db2.gz QDXXRDNPBKIGEY-JOYOIKCWSA-N 1 0 241.306 2.170 20 10 BECDRO CC[N@@H+](Cc1cc(F)ccc1O)C[C@@H](C)OC ZINC000383341989 710980355 /nfs/dbraw/zinc/98/03/55/710980355.db2.gz RTJVQXPEWIAZEV-SNVBAGLBSA-N 1 0 241.306 2.388 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000384890471 710999983 /nfs/dbraw/zinc/99/99/83/710999983.db2.gz KSWLHTWBAGLMST-NTZNESFSSA-N 1 0 235.327 2.356 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H](C)O1 ZINC000384570428 710994559 /nfs/dbraw/zinc/99/45/59/710994559.db2.gz IZKFMQREVJNUDX-SUNKGSAMSA-N 1 0 247.338 2.277 20 10 BECDRO CCSCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000380697292 712902516 /nfs/dbraw/zinc/90/25/16/712902516.db2.gz KEQPTQBYEBCSJC-UHFFFAOYSA-N 1 0 237.368 2.464 20 10 BECDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1CCCOC1 ZINC000388523721 711061907 /nfs/dbraw/zinc/06/19/07/711061907.db2.gz XTJUUJWRIZMWCT-AAEUAGOBSA-N 1 0 235.327 2.297 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CC[C@H]2C)c(O)c1 ZINC000390671330 711130416 /nfs/dbraw/zinc/13/04/16/711130416.db2.gz SVHRXWJIZXNLQR-SKDRFNHKSA-N 1 0 221.300 2.289 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2C)c(O)c1 ZINC000390671328 711130689 /nfs/dbraw/zinc/13/06/89/711130689.db2.gz SVHRXWJIZXNLQR-CABZTGNLSA-N 1 0 221.300 2.289 20 10 BECDRO CCC1(C[NH2+]Cc2ccc(N(C)C)cc2)COC1 ZINC000393976008 711180296 /nfs/dbraw/zinc/18/02/96/711180296.db2.gz ICIWWAMEIBHOFJ-UHFFFAOYSA-N 1 0 248.370 2.269 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H](C)O ZINC000395699430 711214783 /nfs/dbraw/zinc/21/47/83/711214783.db2.gz KQRPVAVRWVTZPU-WCQYABFASA-N 1 0 237.343 2.253 20 10 BECDRO C[C@H]([NH2+]CCC1(CO)CC1)c1ccccc1O ZINC000395878618 711217220 /nfs/dbraw/zinc/21/72/20/711217220.db2.gz NDKUBKZXTGGRRQ-NSHDSACASA-N 1 0 235.327 2.205 20 10 BECDRO Cc1nocc1C[NH2+]Cc1cc(C)ccc1O ZINC000397958357 711397658 /nfs/dbraw/zinc/39/76/58/711397658.db2.gz SXDNREYDJJOVLU-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)O1 ZINC000398101170 711400542 /nfs/dbraw/zinc/40/05/42/711400542.db2.gz XFQYKMHOKYEXDP-CABZTGNLSA-N 1 0 239.290 2.188 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@](C)(CO)C(C)C)c1 ZINC000398487167 711410371 /nfs/dbraw/zinc/41/03/71/711410371.db2.gz BWFUWLRSRHFXRN-CQSZACIVSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(C[N@H+]2CCCOC[C@@H]2C)c1O ZINC000398959996 711417557 /nfs/dbraw/zinc/41/75/57/711417557.db2.gz YFFNNMCBPFVHIC-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO C/C=C/C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000384930046 711000359 /nfs/dbraw/zinc/00/03/59/711000359.db2.gz SHQIFQITOBNITQ-NSCUHMNNSA-N 1 0 203.285 2.287 20 10 BECDRO CC[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000386028704 711021005 /nfs/dbraw/zinc/02/10/05/711021005.db2.gz ZDPPCHMPALINLV-HNNXBMFYSA-N 1 0 247.338 2.280 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@]2(C)CCOC2)c1O ZINC000397133545 711378526 /nfs/dbraw/zinc/37/85/26/711378526.db2.gz XKXGSNGOJIFADA-CQSZACIVSA-N 1 0 235.327 2.217 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1 ZINC000397241838 711378900 /nfs/dbraw/zinc/37/89/00/711378900.db2.gz RYYVTLSJEGPJQN-HNNXBMFYSA-N 1 0 248.370 2.269 20 10 BECDRO c1cc(C[NH2+]CC2=CCOCC2)cc2c1OCC2 ZINC000397750058 711391123 /nfs/dbraw/zinc/39/11/23/711391123.db2.gz PBCAKRREJKXVEW-UHFFFAOYSA-N 1 0 245.322 2.058 20 10 BECDRO CCC[C@@H](CCO)[NH2+]Cc1ccccc1O ZINC000716930228 711588243 /nfs/dbraw/zinc/58/82/43/711588243.db2.gz LFTKFTZOBLPJNQ-LBPRGKRZSA-N 1 0 223.316 2.033 20 10 BECDRO COC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000122803666 711603849 /nfs/dbraw/zinc/60/38/49/711603849.db2.gz LSSCUDBBPXDNJX-LBPRGKRZSA-N 1 0 236.359 2.186 20 10 BECDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@H](C)O ZINC000386727926 711649899 /nfs/dbraw/zinc/64/98/99/711649899.db2.gz UOMOFAXMQPIEJA-SCVCMEIPSA-N 1 0 223.316 2.202 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000840918190 711709541 /nfs/dbraw/zinc/70/95/41/711709541.db2.gz DWRFISHDHRSWID-HNNXBMFYSA-N 1 0 248.370 2.018 20 10 BECDRO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1O ZINC000398581245 711727094 /nfs/dbraw/zinc/72/70/94/711727094.db2.gz OVTXTBBVVPGREU-CYBMUJFWSA-N 1 0 241.306 2.028 20 10 BECDRO Cc1cccc(CN(C)CC[NH+]2CCCC2)c1O ZINC000160231581 711806097 /nfs/dbraw/zinc/80/60/97/711806097.db2.gz ASQXGKBQAISPJJ-UHFFFAOYSA-N 1 0 248.370 2.228 20 10 BECDRO Cc1cccc(C[N@H+]2CCN(C)C(C)(C)C2)c1O ZINC000160237987 711806190 /nfs/dbraw/zinc/80/61/90/711806190.db2.gz YGPBBMODEKKMQG-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](C)O ZINC000386900185 711825305 /nfs/dbraw/zinc/82/53/05/711825305.db2.gz OPSDCGOIOYEBGQ-SMDDNHRTSA-N 1 0 236.359 2.002 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1O ZINC000700638362 712003821 /nfs/dbraw/zinc/00/38/21/712003821.db2.gz COOCAWAOUFCIHH-KGLIPLIRSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1ncc(C[NH2+][C@H](C)c2ccccc2O)n1C ZINC000701827238 712029966 /nfs/dbraw/zinc/02/99/66/712029966.db2.gz YSMWIHMWUGIMNH-SNVBAGLBSA-N 1 0 245.326 2.285 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2C[C@H](OC)C2)c1O ZINC000706498296 712147391 /nfs/dbraw/zinc/14/73/91/712147391.db2.gz LPEVQYWOGUVSFQ-JOCQHMNTSA-N 1 0 235.327 2.222 20 10 BECDRO C[C@H]1[N@H+](Cc2ccccc2O)CCOC1(C)C ZINC000707691213 712175937 /nfs/dbraw/zinc/17/59/37/712175937.db2.gz PFRDICVPVFRBER-LLVKDONJSA-N 1 0 235.327 2.392 20 10 BECDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000707639228 712176009 /nfs/dbraw/zinc/17/60/09/712176009.db2.gz GTNPWEHMKCKGKO-SGMGOOAPSA-N 1 0 248.370 2.174 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000707702691 712176578 /nfs/dbraw/zinc/17/65/78/712176578.db2.gz JXAQTDFSJMNTKO-SDDRHHMPSA-N 1 0 235.327 2.122 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000707702692 712176734 /nfs/dbraw/zinc/17/67/34/712176734.db2.gz JXAQTDFSJMNTKO-UTUOFQBUSA-N 1 0 235.327 2.122 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H]2CCCOC2)c1O ZINC000709405529 712220827 /nfs/dbraw/zinc/22/08/27/712220827.db2.gz FNNAQIJNIMUBBS-GFCCVEGCSA-N 1 0 249.354 2.471 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@H](CF)C2)c1O ZINC000711492872 712307309 /nfs/dbraw/zinc/30/73/09/712307309.db2.gz UYYWTAVOTGHYMR-LLVKDONJSA-N 1 0 223.291 2.492 20 10 BECDRO CC[C@@H]([NH2+]CCc1cn[nH]c1)c1ccccc1O ZINC000379571724 712388400 /nfs/dbraw/zinc/38/84/00/712388400.db2.gz RJXQORVCZWNYFX-CYBMUJFWSA-N 1 0 245.326 2.399 20 10 BECDRO CC[C@H]([NH2+]C[C@H]1CCN1C)c1ccccc1O ZINC000712586931 712434691 /nfs/dbraw/zinc/43/46/91/712434691.db2.gz PQDPYUACBDYVPF-YPMHNXCESA-N 1 0 234.343 2.137 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C)c(O)c1 ZINC000712588803 712435158 /nfs/dbraw/zinc/43/51/58/712435158.db2.gz YLFXSQYQXWUZEQ-VXGBXAGGSA-N 1 0 234.343 2.055 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000714448380 712489798 /nfs/dbraw/zinc/48/97/98/712489798.db2.gz KHIBGVXFSGLKJG-XBXGTLAGSA-N 1 0 247.338 2.136 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000714450246 712490123 /nfs/dbraw/zinc/49/01/23/712490123.db2.gz TWOCZMPYNHAPAU-KGYLQXTDSA-N 1 0 247.338 2.394 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000714450247 712490325 /nfs/dbraw/zinc/49/03/25/712490325.db2.gz TWOCZMPYNHAPAU-UHTWSYAYSA-N 1 0 247.338 2.394 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+]Cc2cc(C)ccc2O)C1 ZINC000714731097 712496669 /nfs/dbraw/zinc/49/66/69/712496669.db2.gz VKCHTMGSWQQGAE-AULYBMBSSA-N 1 0 235.327 2.215 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@H]2CC23CC3)c1 ZINC000715321282 712521291 /nfs/dbraw/zinc/52/12/91/712521291.db2.gz QCUYNDFOGCQDEL-LBPRGKRZSA-N 1 0 219.284 2.043 20 10 BECDRO CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000037240141 712556608 /nfs/dbraw/zinc/55/66/08/712556608.db2.gz QMXWSMIKSGDJFN-UHFFFAOYSA-N 1 0 234.343 2.274 20 10 BECDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)[nH]n1 ZINC000716492553 712566038 /nfs/dbraw/zinc/56/60/38/712566038.db2.gz GJKHEKGOKKZFIB-JTQLQIEISA-N 1 0 231.299 2.275 20 10 BECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(C)ccc1O ZINC000716813161 712576119 /nfs/dbraw/zinc/57/61/19/712576119.db2.gz GZFZAVIJURGYAI-WCQYABFASA-N 1 0 237.343 2.340 20 10 BECDRO COc1cc(O)c(C[NH2+][C@@H]2C=CCC2)cc1OC ZINC000826942554 712592882 /nfs/dbraw/zinc/59/28/82/712592882.db2.gz QANGTQNGWXMOMP-LLVKDONJSA-N 1 0 249.310 2.218 20 10 BECDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccccc1O ZINC000717603444 712662079 /nfs/dbraw/zinc/66/20/79/712662079.db2.gz IDXYJAZJAICCAK-GXFFZTMASA-N 1 0 235.327 2.204 20 10 BECDRO C1=CO[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000380030468 712683499 /nfs/dbraw/zinc/68/34/99/712683499.db2.gz ZDPAANNBZVLPTI-CQSZACIVSA-N 1 0 245.322 2.404 20 10 BECDRO C[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000038006266 712798736 /nfs/dbraw/zinc/79/87/36/712798736.db2.gz XZGLEXQZGVCPHP-NSHDSACASA-N 1 0 244.342 2.327 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2C)c1 ZINC000719559706 712809051 /nfs/dbraw/zinc/80/90/51/712809051.db2.gz NRVDHLJNIYUOBP-OUCADQQQSA-N 1 0 248.370 2.444 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2C)c(O)c1 ZINC000719558695 712809174 /nfs/dbraw/zinc/80/91/74/712809174.db2.gz LXZAOCOSKDSEOT-SGMGOOAPSA-N 1 0 248.370 2.444 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2C)cc1C ZINC000719596384 712813196 /nfs/dbraw/zinc/81/31/96/712813196.db2.gz AKPBXXQERSRIEJ-JSGCOSHPSA-N 1 0 248.370 2.186 20 10 BECDRO CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccccc1O ZINC000720940723 712881007 /nfs/dbraw/zinc/88/10/07/712881007.db2.gz QYHAXELNEHLPAN-NQBHXWOUSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000720994957 712886191 /nfs/dbraw/zinc/88/61/91/712886191.db2.gz MXMXFKJMWHUHAU-SDDRHHMPSA-N 1 0 235.327 2.122 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c(O)c1 ZINC000720993199 712886309 /nfs/dbraw/zinc/88/63/09/712886309.db2.gz BFBRQIRBNAUQMO-SDDRHHMPSA-N 1 0 235.327 2.122 20 10 BECDRO CC1C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140460986 958494326 /nfs/dbraw/zinc/49/43/26/958494326.db2.gz AHIGDKYNRKROJM-UHFFFAOYSA-N 1 0 211.692 2.497 20 10 BECDRO Oc1ccc(C[NH+]2CCC(F)CC2)c(O)c1 ZINC001204272608 966951249 /nfs/dbraw/zinc/95/12/49/966951249.db2.gz RHODTQKTYIFUCL-UHFFFAOYSA-N 1 0 225.263 2.032 20 10 BECDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC000128442133 1166062830 /nfs/dbraw/zinc/06/28/30/1166062830.db2.gz NNGQIDNNKQOLKW-ONGXEEELSA-N 1 0 221.300 2.376 20 10 BECDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC000128442529 1166063280 /nfs/dbraw/zinc/06/32/80/1166063280.db2.gz NNGQIDNNKQOLKW-GXSJLCMTSA-N 1 0 221.300 2.376 20 10 BECDRO c1cc(C[NH2+][C@@H]2CCCOCC2)cc2c1OCC2 ZINC000310981075 1166691742 /nfs/dbraw/zinc/69/17/42/1166691742.db2.gz RAQWJHZBUCOFGC-CQSZACIVSA-N 1 0 247.338 2.280 20 10 BECDRO C[C@H]([NH2+]Cc1cnns1)c1ccccc1O ZINC000400227258 970562801 /nfs/dbraw/zinc/56/28/01/970562801.db2.gz MMCJOCRCYCASOU-QMMMGPOBSA-N 1 0 235.312 2.095 20 10 BECDRO CC1([NH3+])CN(Cc2c(O)ccc3ccccc32)C1 ZINC001204985464 1167183821 /nfs/dbraw/zinc/18/38/21/1167183821.db2.gz JWUKGCKWJFSKJW-UHFFFAOYSA-N 1 0 242.322 2.078 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c1O ZINC001231591223 1167661121 /nfs/dbraw/zinc/66/11/21/1167661121.db2.gz WOQOBXUWQLDYGS-RISCZKNCSA-N 1 0 249.354 2.293 20 10 BECDRO CC[N@H+](Cc1cc(O)c(O)cc1O)C(C)C ZINC001233482330 978612991 /nfs/dbraw/zinc/61/29/91/978612991.db2.gz JRYNEDKBTDEGOB-UHFFFAOYSA-N 1 0 225.288 2.034 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCC2)c(O)c1 ZINC000168763449 1168389320 /nfs/dbraw/zinc/38/93/20/1168389320.db2.gz IOWHNQXEYVWNGL-NSHDSACASA-N 1 0 235.327 2.266 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000711489847 1168408870 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ZINC000695752711 960424226 /nfs/dbraw/zinc/42/42/26/960424226.db2.gz VIZJTKFACXYPHC-LBPRGKRZSA-N 1 0 230.311 2.005 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@](C)(O)C2)c1 ZINC001140617134 960461257 /nfs/dbraw/zinc/46/12/57/960461257.db2.gz GVHWDSBAQCHXAW-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c1 ZINC001140617673 960462306 /nfs/dbraw/zinc/46/23/06/960462306.db2.gz WBYOVIMOCMVWPW-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001140623632 960464333 /nfs/dbraw/zinc/46/43/33/960464333.db2.gz ZHHSMFATMHOJCE-TXEJJXNPSA-N 1 0 245.322 2.112 20 10 BECDRO CC[N@H+](Cc1ccc(O)c(C)c1O)C1CC1 ZINC001140741830 960541691 /nfs/dbraw/zinc/54/16/91/960541691.db2.gz DGGOFKJDCWNFOR-UHFFFAOYSA-N 1 0 221.300 2.391 20 10 BECDRO Cc1c(O)ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC001140748437 960552351 /nfs/dbraw/zinc/55/23/51/960552351.db2.gz GJBFBAXVNLUNDP-TXEJJXNPSA-N 1 0 247.338 2.494 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC001140947756 960743851 /nfs/dbraw/zinc/74/38/51/960743851.db2.gz DRHANELDOHTUAY-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001140948151 960743915 /nfs/dbraw/zinc/74/39/15/960743915.db2.gz VTWAVPJLZISRNU-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC001140947759 960746466 /nfs/dbraw/zinc/74/64/66/960746466.db2.gz DRHANELDOHTUAY-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140957465 960752490 /nfs/dbraw/zinc/75/24/90/960752490.db2.gz AALXBUWXSCCXOG-GFCCVEGCSA-N 1 0 233.311 2.112 20 10 BECDRO Cc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c(O)c1 ZINC001140950985 960758730 /nfs/dbraw/zinc/75/87/30/960758730.db2.gz RWZPTAAQGVIMHV-AAEUAGOBSA-N 1 0 235.327 2.046 20 10 BECDRO Nc1ccc(CC[NH2+]Cc2cscn2)cc1 ZINC000082626882 960818962 /nfs/dbraw/zinc/81/89/62/960818962.db2.gz RMWPJSNAYXFQSS-UHFFFAOYSA-N 1 0 233.340 2.058 20 10 BECDRO C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141138913 960884204 /nfs/dbraw/zinc/88/42/04/960884204.db2.gz DAVCDPCOTBNSGC-GFCCVEGCSA-N 1 0 246.354 2.500 20 10 BECDRO CC[N@H+](Cc1ccc2c(c1)OCCN2C)C1CC1 ZINC001141141258 960887002 /nfs/dbraw/zinc/88/70/02/960887002.db2.gz WFZCWOVSHULAAS-UHFFFAOYSA-N 1 0 246.354 2.500 20 10 BECDRO Cc1nc(CC[NH2+]Cc2ccc(N)cc2)cs1 ZINC000226465978 961334233 /nfs/dbraw/zinc/33/42/33/961334233.db2.gz FBJMVLRABHQHDV-UHFFFAOYSA-N 1 0 247.367 2.366 20 10 BECDRO CCN(Cc1ccccc1O)c1cccc(N)[nH+]1 ZINC001154889709 962883114 /nfs/dbraw/zinc/88/31/14/962883114.db2.gz FQUNFWLQMVWQPR-UHFFFAOYSA-N 1 0 243.310 2.396 20 10 BECDRO C[C@@H]1C[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CCO1 ZINC001168137208 963835618 /nfs/dbraw/zinc/83/56/18/963835618.db2.gz NLRXHBYLRYISJI-YPMHNXCESA-N 1 0 247.338 2.318 20 10 BECDRO CNc1ccccc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162404504 964964001 /nfs/dbraw/zinc/96/40/01/964964001.db2.gz NOKREHOMNQYJCY-MNOVXSKESA-N 1 0 219.332 2.410 20 10 BECDRO COc1ccc(O)c(C[NH2+]CC2(C)CC2)c1 ZINC000224898329 965196661 /nfs/dbraw/zinc/19/66/61/965196661.db2.gz FTGZYQMYENIBCW-UHFFFAOYSA-N 1 0 221.300 2.291 20 10 BECDRO CC(C)N(CCC[NH3+])c1ccc2c(c1)CCO2 ZINC001164122902 965745415 /nfs/dbraw/zinc/74/54/15/965745415.db2.gz RTOLRENWDCPFSR-UHFFFAOYSA-N 1 0 234.343 2.185 20 10 BECDRO COc1ccc(N2CC[C@@H]([NH3+])C2)cc1C(C)C ZINC001164289119 965832012 /nfs/dbraw/zinc/83/20/12/965832012.db2.gz VFGRNFIYEBYTAO-LLVKDONJSA-N 1 0 234.343 2.356 20 10 BECDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccccc1O ZINC000699474970 965903055 /nfs/dbraw/zinc/90/30/55/965903055.db2.gz LKBXIJOKBYGEKW-SCVCMEIPSA-N 1 0 221.300 2.078 20 10 BECDRO [NH3+][C@H]1CCN(Cc2ccc3ccccc3c2O)C1 ZINC001236173663 966299308 /nfs/dbraw/zinc/29/93/08/966299308.db2.gz ORRBCXBUPOQKQH-ZDUSSCGKSA-N 1 0 242.322 2.078 20 10 BECDRO CCC1([NH3+])CN(Cc2ccc(C(C)C)cc2O)C1 ZINC001236185876 966305628 /nfs/dbraw/zinc/30/56/28/966305628.db2.gz AXOMIXDEIVGKHV-UHFFFAOYSA-N 1 0 248.370 2.439 20 10 BECDRO CC[N@H+](Cc1ccccc1O)C1CCN(C)CC1 ZINC001203555859 966676505 /nfs/dbraw/zinc/67/65/05/966676505.db2.gz HSBLIAWXZOVTEZ-UHFFFAOYSA-N 1 0 248.370 2.308 20 10 BECDRO CC1(C)C[N@H+](Cc2ccccc2O)[C@](C)(CO)C1 ZINC001203550156 966679473 /nfs/dbraw/zinc/67/94/73/966679473.db2.gz KHZWXRYAYIQBDT-HNNXBMFYSA-N 1 0 249.354 2.375 20 10 BECDRO C[C@]1(CO)CCC[N@H+](Cc2ccccc2O)CC1 ZINC001203550553 966681190 /nfs/dbraw/zinc/68/11/90/966681190.db2.gz ZCHPWNKVNIDMDO-HNNXBMFYSA-N 1 0 249.354 2.377 20 10 BECDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CC[C@]1(C)O ZINC001203550365 966681954 /nfs/dbraw/zinc/68/19/54/966681954.db2.gz TWQILBFSKIMRGC-WFASDCNBSA-N 1 0 249.354 2.375 20 10 BECDRO Oc1ccccc1CN1CC([NH+]2CCCCC2)C1 ZINC001203558340 966687885 /nfs/dbraw/zinc/68/78/85/966687885.db2.gz GLMDRRUCLYBMHC-UHFFFAOYSA-N 1 0 246.354 2.062 20 10 BECDRO COc1cccc(C[N@@H+]2C[C@H](F)C[C@H]2C)c1O ZINC001203586138 966701415 /nfs/dbraw/zinc/70/14/15/966701415.db2.gz ZJSBSANMCFKDTF-MWLCHTKSSA-N 1 0 239.290 2.333 20 10 BECDRO COc1cccc(C[NH+]2CC3CC(C3)C2)c1O ZINC001203600227 966702918 /nfs/dbraw/zinc/70/29/18/966702918.db2.gz YHDDDYATZCXGHC-UHFFFAOYSA-N 1 0 233.311 2.243 20 10 BECDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203873564 966801588 /nfs/dbraw/zinc/80/15/88/966801588.db2.gz GALBAXDXZQRURP-JTQLQIEISA-N 1 0 221.300 2.472 20 10 BECDRO Oc1ccc(C[NH+]2C3CCC2CC3)cc1O ZINC001203882938 966810459 /nfs/dbraw/zinc/81/04/59/966810459.db2.gz XUABVMWEHUGFII-UHFFFAOYSA-N 1 0 219.284 2.225 20 10 BECDRO C[N@H+](Cc1ccc(O)cc1O)C(C)(C)C ZINC001204275492 966951784 /nfs/dbraw/zinc/95/17/84/966951784.db2.gz SUDPYDXNLNHVKC-UHFFFAOYSA-N 1 0 209.289 2.328 20 10 BECDRO C[C@@]1(CF)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276364 966960100 /nfs/dbraw/zinc/96/01/00/966960100.db2.gz KWQXLOXXYQMLQL-ZDUSSCGKSA-N 1 0 239.290 2.279 20 10 BECDRO COc1cc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc(O)c1O ZINC001204349083 966977244 /nfs/dbraw/zinc/97/72/44/966977244.db2.gz OJUVYWGRLZVEGK-WDEREUQCSA-N 1 0 249.310 2.091 20 10 BECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CO1 ZINC000711231915 968004530 /nfs/dbraw/zinc/00/45/30/968004530.db2.gz NVMFKNGSDVFTTH-NEPJUHHUSA-N 1 0 221.300 2.049 20 10 BECDRO C[C@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001251971871 968415340 /nfs/dbraw/zinc/41/53/40/968415340.db2.gz UEBRQMZTOWFZHC-JTQLQIEISA-N 1 0 231.295 2.016 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C/C=C/Cl ZINC001207738365 968872968 /nfs/dbraw/zinc/87/29/68/968872968.db2.gz BGXXUQRELGYRCF-DAFODLJHSA-N 1 0 215.655 2.373 20 10 BECDRO CN1CCOc2cc(C3=CCC[N@H+](C)C3)ccc21 ZINC001241570401 969060512 /nfs/dbraw/zinc/06/05/12/969060512.db2.gz JIIVSXZUAUMMDL-UHFFFAOYSA-N 1 0 244.338 2.234 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2CCOC[C@H]2C)c1O ZINC000691459437 969961300 /nfs/dbraw/zinc/96/13/00/969961300.db2.gz JPMNGKWCMVGYLP-RISCZKNCSA-N 1 0 249.354 2.469 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2CO[C@H](C)C2)c1O ZINC000691483524 970007695 /nfs/dbraw/zinc/00/76/95/970007695.db2.gz QDSQVDDXVMAOJH-ZWNOBZJWSA-N 1 0 235.327 2.222 20 10 BECDRO CCc1cccc(C[NH2+]CC2(CCO)CC2)c1O ZINC000691484193 970008372 /nfs/dbraw/zinc/00/83/72/970008372.db2.gz UBENYMIVQSKDKN-UHFFFAOYSA-N 1 0 249.354 2.207 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1O ZINC000691483521 970010297 /nfs/dbraw/zinc/01/02/97/970010297.db2.gz QDSQVDDXVMAOJH-GWCFXTLKSA-N 1 0 235.327 2.222 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000785770608 970086716 /nfs/dbraw/zinc/08/67/16/970086716.db2.gz ZLCRROIRIULFGN-OCCSQVGLSA-N 1 0 216.328 2.347 20 10 BECDRO COc1c[nH+]ccc1Nc1c(O)cccc1F ZINC001211260929 970208414 /nfs/dbraw/zinc/20/84/14/970208414.db2.gz TZQWYELUSMZINB-UHFFFAOYSA-N 1 0 234.230 2.100 20 10 BECDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000304068934 970552854 /nfs/dbraw/zinc/55/28/54/970552854.db2.gz UVDRZHUWBATOEY-RISCZKNCSA-N 1 0 249.354 2.118 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCOC1 ZINC000401557951 970700613 /nfs/dbraw/zinc/70/06/13/970700613.db2.gz DZWMHCLMUZZYME-GFCCVEGCSA-N 1 0 221.300 2.003 20 10 BECDRO C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC001327840230 972755537 /nfs/dbraw/zinc/75/55/37/972755537.db2.gz MZFZULOGMYHOTE-NXEZZACHSA-N 1 0 240.322 2.037 20 10 BECDRO Oc1cc(O)c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001144499179 972847954 /nfs/dbraw/zinc/84/79/54/972847954.db2.gz DHSFWDYTVAWFDV-NXEZZACHSA-N 1 0 249.310 2.035 20 10 BECDRO Oc1cc(O)c(C[N@H+](CC2CC2)C2CC2)c(O)c1 ZINC001144516466 972856897 /nfs/dbraw/zinc/85/68/97/972856897.db2.gz ZAZMULOQIKCJPO-UHFFFAOYSA-N 1 0 249.310 2.178 20 10 BECDRO COc1ccc(N2CC3(C2)CC[N@H+](C)C3)c(C)c1 ZINC001277018338 974189076 /nfs/dbraw/zinc/18/90/76/974189076.db2.gz IJRCEAVCAQXXPR-UHFFFAOYSA-N 1 0 246.354 2.146 20 10 BECDRO CN(C)c1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001227940277 975802318 /nfs/dbraw/zinc/80/23/18/975802318.db2.gz JFHJTFLDSHYJOF-UHFFFAOYSA-N 1 0 234.343 2.226 20 10 BECDRO Oc1cc(F)c(F)cc1Nc1cc[nH+]cc1 ZINC001173883718 975951975 /nfs/dbraw/zinc/95/19/75/975951975.db2.gz XTLOIBKTIARLIV-UHFFFAOYSA-N 1 0 222.194 2.231 20 10 BECDRO COc1ccc(C[N@H+]2CC=CCC2)c(O)c1OC ZINC001333753191 976065176 /nfs/dbraw/zinc/06/51/76/976065176.db2.gz HRNOXHGCAYBXHD-UHFFFAOYSA-N 1 0 249.310 2.171 20 10 BECDRO COc1cccc(O)c1Nc1cc[nH+]cc1C ZINC001174540219 976830929 /nfs/dbraw/zinc/83/09/29/976830929.db2.gz YNYHSMXCICPVBA-UHFFFAOYSA-N 1 0 230.267 2.270 20 10 BECDRO Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1O ZINC001231593116 977639992 /nfs/dbraw/zinc/63/99/92/977639992.db2.gz ZVACDNRLGRIHTO-BETUJISGSA-N 1 0 245.322 2.397 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@]23CCOC3)c1O ZINC001231594060 977643466 /nfs/dbraw/zinc/64/34/66/977643466.db2.gz CNKNTXIGRRWPGP-CQSZACIVSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c1O ZINC001231591007 977644746 /nfs/dbraw/zinc/64/47/46/977644746.db2.gz ONACXNSLNWLFOY-SMDDNHRTSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cc(C)c(C[NH+]2CC(C)C2)c(O)c1 ZINC001231841638 977761241 /nfs/dbraw/zinc/76/12/41/977761241.db2.gz CKZJQPFOLIDLSP-UHFFFAOYSA-N 1 0 205.301 2.461 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCCC[C@H](O)C2)c(O)c1 ZINC001231842540 977765086 /nfs/dbraw/zinc/76/50/86/977765086.db2.gz OALYXHGTZGIZKB-ZDUSSCGKSA-N 1 0 249.354 2.356 20 10 BECDRO CC[N@H+](Cc1c(C)cc(C)cc1O)C1CN(C)C1 ZINC001231850316 977767558 /nfs/dbraw/zinc/76/75/58/977767558.db2.gz MVRCKDWEWOXHRG-UHFFFAOYSA-N 1 0 248.370 2.145 20 10 BECDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001231852408 977769871 /nfs/dbraw/zinc/76/98/71/977769871.db2.gz UNBQMNJCHYBFGR-BETUJISGSA-N 1 0 246.354 2.213 20 10 BECDRO C[N@H+](Cc1ccc2ccccc2c1O)C1COC1 ZINC001231881803 977785979 /nfs/dbraw/zinc/78/59/79/977785979.db2.gz IFQPTKGIZJCVCG-UHFFFAOYSA-N 1 0 243.306 2.376 20 10 BECDRO CN(Cc1ccccc1O)c1cc[nH+]cc1 ZINC001336908901 978047145 /nfs/dbraw/zinc/04/71/45/978047145.db2.gz JVQKEMLAJRTGJJ-UHFFFAOYSA-N 1 0 214.268 2.424 20 10 BECDRO CN(C)c1ccc(C[NH+]2CC(C)(C)C2)c(O)c1 ZINC001232834922 978308039 /nfs/dbraw/zinc/30/80/39/978308039.db2.gz QGANAMZDBJOJLF-UHFFFAOYSA-N 1 0 234.343 2.300 20 10 BECDRO C[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233008792 978409882 /nfs/dbraw/zinc/40/98/82/978409882.db2.gz HHZCVESTLFKOMC-SECBINFHSA-N 1 0 237.299 2.035 20 10 BECDRO Nc1ccc(CN[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC001337838987 978523372 /nfs/dbraw/zinc/52/33/72/978523372.db2.gz YGBBJXAQLQOVQK-AWEZNQCLSA-N 1 0 245.370 2.033 20 10 BECDRO Nc1ccc(CN[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC001337838988 978524230 /nfs/dbraw/zinc/52/42/30/978524230.db2.gz YGBBJXAQLQOVQK-CQSZACIVSA-N 1 0 245.370 2.033 20 10 BECDRO CC[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487743 978611050 /nfs/dbraw/zinc/61/10/50/978611050.db2.gz QKQSAMOWAHKCFP-SECBINFHSA-N 1 0 237.299 2.035 20 10 BECDRO C[N@H+](Cc1cc(O)c(O)cc1O)CC(C)(C)C ZINC001233485530 978612287 /nfs/dbraw/zinc/61/22/87/978612287.db2.gz ZVBLEYBOKXBACS-UHFFFAOYSA-N 1 0 239.315 2.281 20 10 BECDRO CCC[NH+](CCC)Cc1cc(O)c(O)cc1O ZINC001233482680 978612330 /nfs/dbraw/zinc/61/23/30/978612330.db2.gz YAEZILBIGOSYTM-UHFFFAOYSA-N 1 0 239.315 2.425 20 10 BECDRO C[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482249 978613774 /nfs/dbraw/zinc/61/37/74/978613774.db2.gz GNSLEQFSBZEBBU-SECBINFHSA-N 1 0 237.299 2.178 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC001180546485 978902625 /nfs/dbraw/zinc/90/26/25/978902625.db2.gz LCUJAHWHSHOVDH-CQSZACIVSA-N 1 0 249.354 2.472 20 10 BECDRO Oc1ccccc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235120428 978978363 /nfs/dbraw/zinc/97/83/63/978978363.db2.gz BJDZVZNQUHNVHE-OAHLLOKOSA-N 1 0 246.354 2.110 20 10 BECDRO Cc1cc(C)c(CN2C[C@H](C)[NH2+]C[C@H]2C)c(O)c1 ZINC001235450268 979048244 /nfs/dbraw/zinc/04/82/44/979048244.db2.gz PFKOINHESHZGDV-QWHCGFSZSA-N 1 0 248.370 2.191 20 10 BECDRO Cc1ccc(C[N@H+]2CCNC[C@H]2C(C)C)c(O)c1 ZINC001235457155 979050136 /nfs/dbraw/zinc/05/01/36/979050136.db2.gz VAUAVQFFLVWCAP-AWEZNQCLSA-N 1 0 248.370 2.130 20 10 BECDRO CC(C)(C)c1ccc(C[NH+]2CC(CO)C2)c(O)c1 ZINC001235683389 979118286 /nfs/dbraw/zinc/11/82/86/979118286.db2.gz FOBYFDPIHJRLPM-UHFFFAOYSA-N 1 0 249.354 2.114 20 10 BECDRO Cc1cc(C)c(CN2CC[NH2+]C(C)(C)C2)c(O)c1 ZINC001235835529 979163285 /nfs/dbraw/zinc/16/32/85/979163285.db2.gz ZPGAKTHXIUHRNU-UHFFFAOYSA-N 1 0 248.370 2.193 20 10 BECDRO [NH3+][C@@H]1CCN(Cc2cc3ccccc3cc2O)C1 ZINC001236172805 979429295 /nfs/dbraw/zinc/42/92/95/979429295.db2.gz GFKOZPZAACOHNU-CQSZACIVSA-N 1 0 242.322 2.078 20 10 BECDRO CC(C)c1ccc(CN2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236173922 979435842 /nfs/dbraw/zinc/43/58/42/979435842.db2.gz NOTQFMJUZQOJDV-CYBMUJFWSA-N 1 0 234.343 2.049 20 10 BECDRO CC(C)c1ccc(CN2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236251675 979471638 /nfs/dbraw/zinc/47/16/38/979471638.db2.gz XINZJJZMQZBJKM-CQSZACIVSA-N 1 0 248.370 2.439 20 10 BECDRO CCc1ccc(C[N@@H+]2CCCN(C)CC2)c(O)c1 ZINC001236784326 979729510 /nfs/dbraw/zinc/72/95/10/979729510.db2.gz USLVODJISZPNAA-UHFFFAOYSA-N 1 0 248.370 2.092 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@H](N(C)C)C2)c(O)c1 ZINC001236782739 979730575 /nfs/dbraw/zinc/73/05/75/979730575.db2.gz DOCPNSHAWDXNBV-AWEZNQCLSA-N 1 0 248.370 2.091 20 10 BECDRO CCc1ccc(C[NH+]2CC(C)C2)c(O)c1 ZINC001236782858 979730694 /nfs/dbraw/zinc/73/06/94/979730694.db2.gz FXZYAGJUMWOFMI-UHFFFAOYSA-N 1 0 205.301 2.406 20 10 BECDRO CCc1ccc(C[NH+]2CC([C@@H](C)OC)C2)c(O)c1 ZINC001236788909 979732251 /nfs/dbraw/zinc/73/22/51/979732251.db2.gz SRSWXAHGYDVECJ-LLVKDONJSA-N 1 0 249.354 2.421 20 10 BECDRO CCc1ccc(C[N@@H+]2CCN(C)[C@H](C)C2)c(O)c1 ZINC001236795263 979740677 /nfs/dbraw/zinc/74/06/77/979740677.db2.gz SRSLAXLNCVYTND-GFCCVEGCSA-N 1 0 248.370 2.091 20 10 BECDRO CC[C@H]([NH3+])CN(C)Cc1ccc(Cl)cc1O ZINC001236868637 979770871 /nfs/dbraw/zinc/77/08/71/979770871.db2.gz OPCMCBBPBKASPZ-NSHDSACASA-N 1 0 242.750 2.215 20 10 BECDRO CC(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001237045985 979807400 /nfs/dbraw/zinc/80/74/00/979807400.db2.gz OJTQSEQFYYVSQL-NHYWBVRUSA-N 1 0 249.354 2.328 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC001237046987 979808300 /nfs/dbraw/zinc/80/83/00/979808300.db2.gz YEVXUQVXFBMBFB-CYBMUJFWSA-N 1 0 235.327 2.082 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](O)C2)c(O)c1 ZINC001237045925 979808710 /nfs/dbraw/zinc/80/87/10/979808710.db2.gz NBGBAMBOMSJAJP-AWEZNQCLSA-N 1 0 249.354 2.472 20 10 BECDRO C[NH+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237120118 979821543 /nfs/dbraw/zinc/82/15/43/979821543.db2.gz MLLCATAVTMSPFV-UHFFFAOYSA-N 1 0 235.205 2.352 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@](C)(O)C1 ZINC001237486217 979908061 /nfs/dbraw/zinc/90/80/61/979908061.db2.gz YHTVYSDIDAXXTB-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001237486241 979908544 /nfs/dbraw/zinc/90/85/44/979908544.db2.gz ZKXIUOMILAIBOL-IUODEOHRSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCCC2(COC2)C1 ZINC001237485741 979913848 /nfs/dbraw/zinc/91/38/48/979913848.db2.gz RIQOTCBEYCCDGQ-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCOCC12CC2 ZINC001237491623 979916933 /nfs/dbraw/zinc/91/69/33/979916933.db2.gz KOPDIRQOTFNOCS-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001345106367 980550063 /nfs/dbraw/zinc/55/00/63/980550063.db2.gz YIAOOQPGMWSHHB-CHWSQXEVSA-N 1 0 247.386 2.112 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@]23CCOC3)c1O ZINC001346540808 980860853 /nfs/dbraw/zinc/86/08/53/980860853.db2.gz QJBWGOHALAPVOG-HNNXBMFYSA-N 1 0 247.338 2.319 20 10 BECDRO CC1(C)CN(Cc2cccc(F)c2O)CCO1 ZINC000160200569 982517131 /nfs/dbraw/zinc/51/71/31/982517131.db2.gz HYNHQAIQZDXODR-UHFFFAOYSA-N 1 0 239.290 2.142 20 10 BECDRO CCCC[C@@H](O)C[NH2+]Cc1ccccc1O ZINC001252107873 983661335 /nfs/dbraw/zinc/66/13/35/983661335.db2.gz JNAXWTSYZGLYBZ-GFCCVEGCSA-N 1 0 223.316 2.033 20 10 BECDRO Oc1cc(Br)ccc1C[NH2+]CCF ZINC000691390598 984313647 /nfs/dbraw/zinc/31/36/47/984313647.db2.gz HDEPPCGBOMISON-UHFFFAOYSA-N 1 0 248.095 2.214 20 10 BECDRO C1=C(c2cc3c4c(c2)CCCN4CCC3)C[NH2+]C1 ZINC001243111971 984579421 /nfs/dbraw/zinc/57/94/21/984579421.db2.gz KLOMHEODXGAPRY-UHFFFAOYSA-N 1 0 240.350 2.372 20 10 BECDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2O)[C@H](C)O1 ZINC000686515624 985126840 /nfs/dbraw/zinc/12/68/40/985126840.db2.gz UFHCTCKLYODDPQ-MDZLAQPJSA-N 1 0 235.327 2.295 20 10 BECDRO CCOCC[N@H+](C)Cc1cccc(CC)c1O ZINC000692108063 985409478 /nfs/dbraw/zinc/40/94/78/985409478.db2.gz HWLZGGFDZIUHNZ-UHFFFAOYSA-N 1 0 237.343 2.423 20 10 BECDRO Cn1ccc2c1nccc2C1=C[NH2+]CCC1 ZINC001243951990 985658047 /nfs/dbraw/zinc/65/80/47/985658047.db2.gz LILQKZIVDYADQX-UHFFFAOYSA-N 1 0 213.284 2.298 20 10 BECDRO Cc1ccc(CN[C@@H]2CC[NH2+]C23CCC3)c(O)c1 ZINC001579696884 986184814 /nfs/dbraw/zinc/18/48/14/986184814.db2.gz KXCFZBLEMHJCDB-CQSZACIVSA-N 1 0 246.354 2.075 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCOC2)c1 ZINC001462091824 986282346 /nfs/dbraw/zinc/28/23/46/986282346.db2.gz IKSGWSYJAQHTBQ-ZDUSSCGKSA-N 1 0 235.327 2.394 20 10 BECDRO CC(C)(C)[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001253729843 986344642 /nfs/dbraw/zinc/34/46/42/986344642.db2.gz LGHYASPQTSPEQP-AWEZNQCLSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](CC)[C@H](C)O)c1O ZINC000691449481 987287509 /nfs/dbraw/zinc/28/75/09/987287509.db2.gz UCQUGFFXESPQCR-GWCFXTLKSA-N 1 0 237.343 2.204 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000691458389 987287634 /nfs/dbraw/zinc/28/76/34/987287634.db2.gz CBOFJWWEXCXQGZ-FZMZJTMJSA-N 1 0 249.354 2.205 20 10 BECDRO C[C@@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1O ZINC001246301695 987696988 /nfs/dbraw/zinc/69/69/88/987696988.db2.gz UZJWVTAPQAGZCU-QJPTWQEYSA-N 1 0 234.343 2.183 20 10 BECDRO Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC001120370805 989643120 /nfs/dbraw/zinc/64/31/20/989643120.db2.gz FUYLXGFPSSAFNF-KFWWJZLASA-N 1 0 246.354 2.316 20 10 BECDRO Cc1cc(C[NH+]2CCC2)ccc1N(C)C ZINC001139669802 990800683 /nfs/dbraw/zinc/80/06/83/990800683.db2.gz OOPPZUNRFLXOHQ-UHFFFAOYSA-N 1 0 204.317 2.267 20 10 BECDRO Cc1c(C[N@@H+]2CC[C@@H](O)C2)c2ccccc2n1C ZINC001138252557 990903802 /nfs/dbraw/zinc/90/38/02/990903802.db2.gz LIUMEJDTBVIBSJ-GFCCVEGCSA-N 1 0 244.338 2.053 20 10 BECDRO CC[N@@H+](Cc1ccc(N)cc1)C[C@@H]1CCCO1 ZINC000035361341 991124051 /nfs/dbraw/zinc/12/40/51/991124051.db2.gz SUFHKVXZQDYHCQ-AWEZNQCLSA-N 1 0 234.343 2.270 20 10 BECDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC001308857538 991176983 /nfs/dbraw/zinc/17/69/83/991176983.db2.gz ODESPVSVYDOGHP-NSHDSACASA-N 1 0 241.718 2.314 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccno2)c1 ZINC001308868291 991191786 /nfs/dbraw/zinc/19/17/86/991191786.db2.gz FOJQHRRFLAEUCC-NSHDSACASA-N 1 0 246.310 2.409 20 10 BECDRO C[C@@H](CC1CC1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258450031 991396458 /nfs/dbraw/zinc/39/64/58/991396458.db2.gz CTWFWFAWLOOICH-JTQLQIEISA-N 1 0 235.327 2.419 20 10 BECDRO C[N@@H+](Cc1ccc(N)cc1)C[C@H]1CCCCO1 ZINC000036231131 991545574 /nfs/dbraw/zinc/54/55/74/991545574.db2.gz ZLUDKOHGCWNPHC-CQSZACIVSA-N 1 0 234.343 2.270 20 10 BECDRO OCC[N@H+](Cc1ccc(Cl)cc1O)C1CC1 ZINC001560678919 991549341 /nfs/dbraw/zinc/54/93/41/991549341.db2.gz WIAFIQDNSVRHTI-UHFFFAOYSA-N 1 0 241.718 2.002 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCN(C)[C@H](C)C2)c1O ZINC001140181430 991549912 /nfs/dbraw/zinc/54/99/12/991549912.db2.gz BCJRPQTVLPRRBK-CYBMUJFWSA-N 1 0 248.370 2.145 20 10 BECDRO COCC[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140181681 991550602 /nfs/dbraw/zinc/55/06/02/991550602.db2.gz ZDMZDTKPJNBKIA-UHFFFAOYSA-N 1 0 223.316 2.087 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H](C)C2)c1O ZINC001140178214 991552319 /nfs/dbraw/zinc/55/23/19/991552319.db2.gz CTFSOAGDNZJMLZ-LBPRGKRZSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCOC3(CC3)C2)c1O ZINC001140185003 991556379 /nfs/dbraw/zinc/55/63/79/991556379.db2.gz NXHLNPYHMSYNRJ-UHFFFAOYSA-N 1 0 247.338 2.374 20 10 BECDRO Oc1cc(Cl)ccc1C[NH+]1CC=CC1 ZINC001140461076 991643572 /nfs/dbraw/zinc/64/35/72/991643572.db2.gz DLLCCDPPSXFTNE-UHFFFAOYSA-N 1 0 209.676 2.417 20 10 BECDRO CC[N@H+](Cc1ccc(Cl)cc1O)C1COC1 ZINC001140464708 991644338 /nfs/dbraw/zinc/64/43/38/991644338.db2.gz AGSBOCGTMPNMRV-UHFFFAOYSA-N 1 0 241.718 2.266 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC001560969112 991673355 /nfs/dbraw/zinc/67/33/55/991673355.db2.gz FOKPWDAIXNOKQE-VDISTLRHSA-N 1 0 249.354 2.376 20 10 BECDRO CCO[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000701660934 993897050 /nfs/dbraw/zinc/89/70/50/993897050.db2.gz FCJNFOIWZXOSLC-GFCCVEGCSA-N 1 0 221.300 2.003 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H](C)CO ZINC000035602684 1170180385 /nfs/dbraw/zinc/18/03/85/1170180385.db2.gz KYWWAQHUOOCLDJ-GARJFASQSA-N 1 0 235.327 2.219 20 10 BECDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(O)cc1O ZINC000036993625 1170924596 /nfs/dbraw/zinc/92/45/96/1170924596.db2.gz GDJSCBUXUFVGPR-JTQLQIEISA-N 1 0 247.294 2.412 20 10 BECDRO C[C@H](Cc1ccco1)[NH2+]Cc1cccc(O)c1O ZINC000041117116 1171169744 /nfs/dbraw/zinc/16/97/44/1171169744.db2.gz JZCGIVCMWQGZGS-SNVBAGLBSA-N 1 0 247.294 2.412 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccnn1C)c1ccccc1O ZINC000071333052 398147242 /nfs/dbraw/zinc/14/72/42/398147242.db2.gz CUJRETFKMUEXCT-CYBMUJFWSA-N 1 0 245.326 2.367 20 10 BECDRO COC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000296245952 398209432 /nfs/dbraw/zinc/20/94/32/398209432.db2.gz AZNYJGBNBHEANQ-STQMWFEESA-N 1 0 247.338 2.394 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@]2(C)CCOC2)cc1C ZINC000120132054 178196961 /nfs/dbraw/zinc/19/69/61/178196961.db2.gz MVYHCWMOIAWEDS-CQSZACIVSA-N 1 0 235.327 2.278 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1C ZINC000189347894 178197759 /nfs/dbraw/zinc/19/77/59/178197759.db2.gz FMQGBMZMTDRNJS-UONOGXRCSA-N 1 0 249.354 2.258 20 10 BECDRO C[NH+](C)Cc1cc(Br)ccc1O ZINC000032153296 343230095 /nfs/dbraw/zinc/23/00/95/343230095.db2.gz VKWZAKOXYMCAER-UHFFFAOYSA-N 1 0 230.105 2.216 20 10 BECDRO Cc1csc(C[NH2+]Cc2ccccc2O)n1 ZINC000038090720 343370526 /nfs/dbraw/zinc/37/05/26/343370526.db2.gz SKBQJHKQQVGXTF-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000045656689 343532488 /nfs/dbraw/zinc/53/24/88/343532488.db2.gz ZUVUJQUUNBMKSA-MNOVXSKESA-N 1 0 223.316 2.325 20 10 BECDRO CC[C@@H]([NH2+]Cc1nccn1C)c1ccccc1O ZINC000071272989 343962282 /nfs/dbraw/zinc/96/22/82/343962282.db2.gz XYHHFVXAERYGLJ-GFCCVEGCSA-N 1 0 245.326 2.367 20 10 BECDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)C(C)C ZINC000096851201 344382906 /nfs/dbraw/zinc/38/29/06/344382906.db2.gz WVFRNVZVCLANQU-UHFFFAOYSA-N 1 0 237.299 2.351 20 10 BECDRO CC[C@@H]([NH2+][C@H](C)CO)c1ccc(N(C)C)cc1 ZINC000151176807 346218651 /nfs/dbraw/zinc/21/86/51/346218651.db2.gz VDGLQRFRIKJKFL-BXUZGUMPSA-N 1 0 236.359 2.174 20 10 BECDRO Cc1cccc(C[N@H+](C2CC2)C2COC2)c1O ZINC000296136177 179071498 /nfs/dbraw/zinc/07/14/98/179071498.db2.gz UVGLAVMFUVZWNN-UHFFFAOYSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1cccc(C[N@H+](CCO)C2CCCC2)c1O ZINC000271716291 179072568 /nfs/dbraw/zinc/07/25/68/179072568.db2.gz CDYODHCQFFFLTR-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1O ZINC000124542724 179084735 /nfs/dbraw/zinc/08/47/35/179084735.db2.gz JQKWHPGELPGXIK-RYUDHWBXSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cccc(C[NH2+]CC[C@@H](C)CCO)c1O ZINC000295085457 179092045 /nfs/dbraw/zinc/09/20/45/179092045.db2.gz IQRDYQSXFLPZOL-LLVKDONJSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cccc(C[NH2+]CCc2nccs2)c1O ZINC000124754866 179092775 /nfs/dbraw/zinc/09/27/75/179092775.db2.gz MYPTXNQUZNYSGB-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1O ZINC000289863768 179093691 /nfs/dbraw/zinc/09/36/91/179093691.db2.gz VMGLGBWIMILOOA-STQMWFEESA-N 1 0 249.354 2.463 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](CO)CC2CCC2)c1O ZINC000279631348 179098744 /nfs/dbraw/zinc/09/87/44/179098744.db2.gz BUFODNIVYXYIGF-CQSZACIVSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000124706360 179100207 /nfs/dbraw/zinc/10/02/07/179100207.db2.gz LKLFKRRNTDMIMV-GFCCVEGCSA-N 1 0 245.326 2.075 20 10 BECDRO Cc1cccc(C[NH2+][C@H](CO)C(C)(C)C)c1O ZINC000148277994 179101572 /nfs/dbraw/zinc/10/15/72/179101572.db2.gz CVHRJYQYIOMHIL-GFCCVEGCSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(C[NH2+][C@H](CO)CC2CCC2)c1O ZINC000279631345 179101965 /nfs/dbraw/zinc/10/19/65/179101965.db2.gz BUFODNIVYXYIGF-AWEZNQCLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+][C@H](CO)C2CCCC2)c1O ZINC000290966885 179102028 /nfs/dbraw/zinc/10/20/28/179102028.db2.gz SASPMFXLRBAPFH-CQSZACIVSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1O ZINC000020352506 180379852 /nfs/dbraw/zinc/37/98/52/180379852.db2.gz HMQPPWCTGDQXPU-SNVBAGLBSA-N 1 0 245.326 2.285 20 10 BECDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000072924508 351764992 /nfs/dbraw/zinc/76/49/92/351764992.db2.gz YXQKFUMFHXHMGL-HNNXBMFYSA-N 1 0 249.354 2.382 20 10 BECDRO Cc1cc(C)cc(N(C)C(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000637941782 351818935 /nfs/dbraw/zinc/81/89/35/351818935.db2.gz GTAJYRZGAQDNEL-ZDUSSCGKSA-N 1 0 244.338 2.314 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000071408548 187786945 /nfs/dbraw/zinc/78/69/45/187786945.db2.gz NEPBORBIXQUXBM-ZDUSSCGKSA-N 1 0 235.327 2.359 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CO)cc1 ZINC000127543746 188155644 /nfs/dbraw/zinc/15/56/44/188155644.db2.gz PFVWMRSCJRAECM-NWDGAFQWSA-N 1 0 236.359 2.174 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)CO)cc1 ZINC000247112726 188192643 /nfs/dbraw/zinc/19/26/43/188192643.db2.gz PFVWMRSCJRAECM-NEPJUHHUSA-N 1 0 236.359 2.174 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCOC[C@H]2C)c1 ZINC000285418325 188208373 /nfs/dbraw/zinc/20/83/73/188208373.db2.gz GKLPDXROKHJVHF-CHWSQXEVSA-N 1 0 249.354 2.463 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1 ZINC000292861316 188450447 /nfs/dbraw/zinc/45/04/47/188450447.db2.gz ASLJEGUKPJRDMV-IUODEOHRSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ncc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000049538897 188576738 /nfs/dbraw/zinc/57/67/38/188576738.db2.gz FBJNIJXJMQBFHY-UHFFFAOYSA-N 1 0 247.367 2.366 20 10 BECDRO C[C@@H]1C[C@H]1C[NH2+]CCc1ccc(N)cc1 ZINC000167543517 134004470 /nfs/dbraw/zinc/00/44/70/134004470.db2.gz TWIBCSBZQSBIMH-PWSUYJOCSA-N 1 0 204.317 2.057 20 10 BECDRO CC[C@@H](O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000127353215 358561737 /nfs/dbraw/zinc/56/17/37/358561737.db2.gz UCVCKDPZZMBSDD-CYBMUJFWSA-N 1 0 237.343 2.254 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCOCC23CCC3)c1 ZINC000093510561 360254151 /nfs/dbraw/zinc/25/41/51/360254151.db2.gz PPDMEECOWLINOF-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Nc1ccc(CC[NH2+]C2CCCC2)cc1 ZINC000040408905 181705260 /nfs/dbraw/zinc/70/52/60/181705260.db2.gz KORGPQWESBVPOV-UHFFFAOYSA-N 1 0 204.317 2.344 20 10 BECDRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000189937495 183093348 /nfs/dbraw/zinc/09/33/48/183093348.db2.gz LUEIXMAUHZYPNS-AAEUAGOBSA-N 1 0 235.327 2.033 20 10 BECDRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000189937478 183095521 /nfs/dbraw/zinc/09/55/21/183095521.db2.gz LUEIXMAUHZYPNS-WCQYABFASA-N 1 0 235.327 2.033 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCOC1 ZINC000037738220 183273066 /nfs/dbraw/zinc/27/30/66/183273066.db2.gz MKBIRPKYBMIFKR-SECBINFHSA-N 1 0 241.718 2.172 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000226586497 183274524 /nfs/dbraw/zinc/27/45/24/183274524.db2.gz GXDSIXRVDYDCDH-LBPRGKRZSA-N 1 0 239.290 2.190 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CF ZINC000293961242 183275445 /nfs/dbraw/zinc/27/54/45/183275445.db2.gz JNDQOEBQRCQMTC-LLVKDONJSA-N 1 0 227.254 2.465 20 10 BECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCCOC1 ZINC000083552504 183292554 /nfs/dbraw/zinc/29/25/54/183292554.db2.gz KXYLCZKWFQXERJ-SECBINFHSA-N 1 0 241.718 2.314 20 10 BECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCCOC1 ZINC000083552505 183293307 /nfs/dbraw/zinc/29/33/07/183293307.db2.gz KXYLCZKWFQXERJ-VIFPVBQESA-N 1 0 241.718 2.314 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CC1CCOCC1)CC2 ZINC000297887915 183296574 /nfs/dbraw/zinc/29/65/74/183296574.db2.gz VLCVOOLTSHTMPY-CYBMUJFWSA-N 1 0 247.338 2.396 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCO1)CC2 ZINC000295939096 183296721 /nfs/dbraw/zinc/29/67/21/183296721.db2.gz KTUUCZHGLYYODG-RYUDHWBXSA-N 1 0 233.311 2.148 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)CC2 ZINC000296358472 183296891 /nfs/dbraw/zinc/29/68/91/183296891.db2.gz HYEGSPCEBXXGCB-FRRDWIJNSA-N 1 0 247.338 2.273 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CC1CCOCC1)CC2 ZINC000297887916 183297294 /nfs/dbraw/zinc/29/72/94/183297294.db2.gz VLCVOOLTSHTMPY-ZDUSSCGKSA-N 1 0 247.338 2.396 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000297170143 183297453 /nfs/dbraw/zinc/29/74/53/183297453.db2.gz DKAOPSRPCKDYMW-NEPJUHHUSA-N 1 0 233.311 2.148 20 10 BECDRO CCC[N@H+](CCO)Cc1cc(C)c(C)cc1O ZINC000271053138 169165438 /nfs/dbraw/zinc/16/54/38/169165438.db2.gz XNFOSBSLTDOWFY-UHFFFAOYSA-N 1 0 237.343 2.213 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369682909 183302279 /nfs/dbraw/zinc/30/22/79/183302279.db2.gz HWKSNURYTFCKSR-GXTWGEPZSA-N 1 0 233.311 2.003 20 10 BECDRO Oc1ccccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000293903222 183302399 /nfs/dbraw/zinc/30/23/99/183302399.db2.gz LFOUEJKYCYWWQC-AWEZNQCLSA-N 1 0 247.338 2.272 20 10 BECDRO Oc1ccccc1C[NH+]1CCC2(CCO2)CC1 ZINC000368519924 183302465 /nfs/dbraw/zinc/30/24/65/183302465.db2.gz RTNMJXVCZZUXGJ-UHFFFAOYSA-N 1 0 233.311 2.147 20 10 BECDRO Oc1ccccc1C[NH2+]CCc1ccccn1 ZINC000019916522 183303213 /nfs/dbraw/zinc/30/32/13/183303213.db2.gz JGFFGEWFUWVQEE-UHFFFAOYSA-N 1 0 228.295 2.120 20 10 BECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCOC1 ZINC000112392439 169182994 /nfs/dbraw/zinc/18/29/94/169182994.db2.gz FYTSSEGMVCMPLD-AWEZNQCLSA-N 1 0 234.343 2.151 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](CO)C(C)(C)C)c1 ZINC000059240729 1172519376 /nfs/dbraw/zinc/51/93/76/1172519376.db2.gz LQBIJHVNWDBMHQ-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO CCC[C@@H](CCO)C[NH2+]Cc1ccccc1O ZINC000231393378 169383142 /nfs/dbraw/zinc/38/31/42/169383142.db2.gz QWNXOHIOUZSNSI-LBPRGKRZSA-N 1 0 237.343 2.281 20 10 BECDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037238454 383962027 /nfs/dbraw/zinc/96/20/27/383962027.db2.gz OAIJBZRSOKFEEL-DGCLKSJQSA-N 1 0 236.359 2.174 20 10 BECDRO CCOCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037269107 383968070 /nfs/dbraw/zinc/96/80/70/383968070.db2.gz NQLZESPIJOFEAV-LBPRGKRZSA-N 1 0 236.359 2.440 20 10 BECDRO CCC[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000113342291 383976429 /nfs/dbraw/zinc/97/64/29/383976429.db2.gz SZJODQIMEJYHEN-VIFPVBQESA-N 1 0 243.734 2.296 20 10 BECDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)N(C)C ZINC000038087596 384067568 /nfs/dbraw/zinc/06/75/68/384067568.db2.gz BNTHOHRWAYGDTO-OLZOCXBDSA-N 1 0 249.402 2.353 20 10 BECDRO C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1O ZINC000091974438 384157399 /nfs/dbraw/zinc/15/73/99/384157399.db2.gz ALDMOZOSAPJELJ-UHFFFAOYSA-N 1 0 247.294 2.110 20 10 BECDRO CO[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000091772766 384145142 /nfs/dbraw/zinc/14/51/42/384145142.db2.gz CYOJZOAEVMYOAA-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCc2ccncc2)c1 ZINC000071408021 384165118 /nfs/dbraw/zinc/16/51/18/384165118.db2.gz RHVLHOGVXCFYNO-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)C(C)C)c1 ZINC000092392359 384176493 /nfs/dbraw/zinc/17/64/93/384176493.db2.gz JCAFVQRJLRJBCH-DGCLKSJQSA-N 1 0 237.343 2.368 20 10 BECDRO CC[C@@H]([NH2+]CCn1ccnc1)c1ccccc1O ZINC000041119025 384179034 /nfs/dbraw/zinc/17/90/34/384179034.db2.gz NCURDNIDLLIYKP-CYBMUJFWSA-N 1 0 245.326 2.330 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCO)c(O)c1 ZINC000132549404 384235406 /nfs/dbraw/zinc/23/54/06/384235406.db2.gz XUARHGIHUBCALW-GHMZBOCLSA-N 1 0 223.316 2.122 20 10 BECDRO CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000289857800 384241328 /nfs/dbraw/zinc/24/13/28/384241328.db2.gz QEGCMLUDURLVKS-GFCCVEGCSA-N 1 0 236.359 2.211 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CCN(C(C)C)CC2)c1 ZINC000132260946 384223610 /nfs/dbraw/zinc/22/36/10/384223610.db2.gz URTZZRBDZNJTFH-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO COC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1O ZINC000132677664 384244389 /nfs/dbraw/zinc/24/43/89/384244389.db2.gz WBBKCUTZQASWGM-LLVKDONJSA-N 1 0 223.316 2.167 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000132759440 384250191 /nfs/dbraw/zinc/25/01/91/384250191.db2.gz MHDYCQOOTFZYHX-DZGCQCFKSA-N 1 0 247.338 2.454 20 10 BECDRO CCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879153 384251621 /nfs/dbraw/zinc/25/16/21/384251621.db2.gz IDMDAOURETUEAQ-UHFFFAOYSA-N 1 0 223.272 2.011 20 10 BECDRO C[C@H]([NH2+]Cc1ccnn1C)c1cc(F)ccc1O ZINC000094618195 384306050 /nfs/dbraw/zinc/30/60/50/384306050.db2.gz OXCBMTLJQWWELA-VIFPVBQESA-N 1 0 249.289 2.116 20 10 BECDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1cc(F)ccc1O ZINC000094617847 384307069 /nfs/dbraw/zinc/30/70/69/384307069.db2.gz LPBPRMLUIWNVES-VIFPVBQESA-N 1 0 249.289 2.116 20 10 BECDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N(C)C ZINC000094617784 384307512 /nfs/dbraw/zinc/30/75/12/384307512.db2.gz XMYUQNZCBNJGAL-ZJUUUORDSA-N 1 0 240.322 2.132 20 10 BECDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618017 384308281 /nfs/dbraw/zinc/30/82/81/384308281.db2.gz DTYRLMUKTXIPSO-UWVGGRQHSA-N 1 0 241.306 2.464 20 10 BECDRO C[C@H](CCCO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094942583 384320149 /nfs/dbraw/zinc/32/01/49/384320149.db2.gz XIPLNBHROPMHEP-ZJUUUORDSA-N 1 0 241.306 2.343 20 10 BECDRO COC[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000044478598 384333338 /nfs/dbraw/zinc/33/33/38/384333338.db2.gz SKZFUNAGOWJFDH-LBPRGKRZSA-N 1 0 236.359 2.125 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CO)c(O)c1C ZINC000134914079 384397499 /nfs/dbraw/zinc/39/74/99/384397499.db2.gz JTHYPPRAYPZDCP-KOLCDFICSA-N 1 0 223.316 2.040 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCCO1 ZINC000096477922 384461405 /nfs/dbraw/zinc/46/14/05/384461405.db2.gz IFDPVIVHQXUIAG-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CCO)c1 ZINC000097436270 384519963 /nfs/dbraw/zinc/51/99/63/384519963.db2.gz LLYJCXDCVARJDR-VXGBXAGGSA-N 1 0 237.343 2.370 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000049900225 384575316 /nfs/dbraw/zinc/57/53/16/384575316.db2.gz KSSQSUSUDFCAEB-HNNXBMFYSA-N 1 0 248.370 2.411 20 10 BECDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000020196015 384596239 /nfs/dbraw/zinc/59/62/39/384596239.db2.gz KWMQUUMVXOUONX-QWRGUYRKSA-N 1 0 223.316 2.122 20 10 BECDRO C[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184829145 384653689 /nfs/dbraw/zinc/65/36/89/384653689.db2.gz QUPHYQLLQQYSOI-GHMZBOCLSA-N 1 0 249.354 2.302 20 10 BECDRO C[C@@H]([NH2+]C[C@H](C)O)c1cc2c(cc1O)CCCC2 ZINC000184829125 384654291 /nfs/dbraw/zinc/65/42/91/384654291.db2.gz QUPHYQLLQQYSOI-WDEREUQCSA-N 1 0 249.354 2.302 20 10 BECDRO COC[C@@H](C)C[NH2+]Cc1cccc(C)c1O ZINC000162832989 384691704 /nfs/dbraw/zinc/69/17/04/384691704.db2.gz ZHZMAPBXFGHLQV-JTQLQIEISA-N 1 0 223.316 2.073 20 10 BECDRO C[N@H+](CCC1CC1)Cc1cc2c(cc1O)OCO2 ZINC000162874083 384700213 /nfs/dbraw/zinc/70/02/13/384700213.db2.gz YFPKLLMXVRYLFI-UHFFFAOYSA-N 1 0 249.310 2.353 20 10 BECDRO CC[C@@H]([NH2+]CC(C)(C)O)c1ccccc1O ZINC000083461447 384773850 /nfs/dbraw/zinc/77/38/50/384773850.db2.gz KSLFBVCENOEVTH-LLVKDONJSA-N 1 0 223.316 2.204 20 10 BECDRO COc1ccc(C[NH2+]CC2(C)COC2)cc1C ZINC000083522999 384779674 /nfs/dbraw/zinc/77/96/74/384779674.db2.gz VLWKKKRVBUQVSS-UHFFFAOYSA-N 1 0 235.327 2.130 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](C)CO)c1ccccc1O ZINC000083219985 384753946 /nfs/dbraw/zinc/75/39/46/384753946.db2.gz HXTIXRDDFWQZEC-CMPLNLGQSA-N 1 0 223.316 2.061 20 10 BECDRO CC[C@H]([NH2+]C[C@@H](C)CO)c1ccccc1O ZINC000083219982 384756060 /nfs/dbraw/zinc/75/60/60/384756060.db2.gz HXTIXRDDFWQZEC-PWSUYJOCSA-N 1 0 223.316 2.061 20 10 BECDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000185921335 384785762 /nfs/dbraw/zinc/78/57/62/384785762.db2.gz CIUABIITICNOTM-NEPJUHHUSA-N 1 0 236.359 2.438 20 10 BECDRO C[N@H+](Cc1c(O)cccc1Cl)CC(C)(C)O ZINC000126399060 384795809 /nfs/dbraw/zinc/79/58/09/384795809.db2.gz AMMQYJBVXXWWHF-UHFFFAOYSA-N 1 0 243.734 2.248 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1O ZINC000186790408 384885294 /nfs/dbraw/zinc/88/52/94/384885294.db2.gz FTQQCDKBHHFZSZ-ZKYQVNSYSA-N 1 0 235.327 2.346 20 10 BECDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000163978982 384888472 /nfs/dbraw/zinc/88/84/72/384888472.db2.gz MPEBLRXMSQIMEH-QWRGUYRKSA-N 1 0 223.316 2.204 20 10 BECDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000163979322 384888506 /nfs/dbraw/zinc/88/85/06/384888506.db2.gz MPEBLRXMSQIMEH-GHMZBOCLSA-N 1 0 223.316 2.204 20 10 BECDRO C[C@@H](O)CC[N@H+](C)Cc1c(O)cccc1Cl ZINC000127679977 384933308 /nfs/dbraw/zinc/93/33/08/384933308.db2.gz GQMWWPVUMVKLCO-SECBINFHSA-N 1 0 243.734 2.248 20 10 BECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000189125360 385128343 /nfs/dbraw/zinc/12/83/43/385128343.db2.gz GJUREHQQUJQBIV-WDEREUQCSA-N 1 0 235.327 2.135 20 10 BECDRO CCC1([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000294725584 385148183 /nfs/dbraw/zinc/14/81/83/385148183.db2.gz FXJPOWHAYBPLNK-UHFFFAOYSA-N 1 0 221.300 2.433 20 10 BECDRO CC[C@@H]([NH2+]C[C@H](C)O)c1ccc(C)cc1O ZINC000280224561 385282869 /nfs/dbraw/zinc/28/28/69/385282869.db2.gz UYMREXCVQXEGJN-CMPLNLGQSA-N 1 0 223.316 2.122 20 10 BECDRO CC[C@H]([NH2+]CCCO)c1ccc(C)cc1O ZINC000280258219 385288166 /nfs/dbraw/zinc/28/81/66/385288166.db2.gz XBIAEJNUDMQNPY-LBPRGKRZSA-N 1 0 223.316 2.124 20 10 BECDRO C[C@@H](CCCO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000294880565 385288579 /nfs/dbraw/zinc/28/85/79/385288579.db2.gz VLUVDLCPBPMZPS-LBPRGKRZSA-N 1 0 249.354 2.120 20 10 BECDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000191205607 385292960 /nfs/dbraw/zinc/29/29/60/385292960.db2.gz KNLXFFVCVJGPRN-RKDXNWHRSA-N 1 0 227.279 2.217 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCCCO)c1 ZINC000295088794 385430893 /nfs/dbraw/zinc/43/08/93/385430893.db2.gz RHEBZGQPBNPBLC-LBPRGKRZSA-N 1 0 237.343 2.341 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C)O)cc1 ZINC000179581893 385475706 /nfs/dbraw/zinc/47/57/06/385475706.db2.gz ZOXXGUQFOHMLFX-RYUDHWBXSA-N 1 0 236.359 2.174 20 10 BECDRO CCC[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179577258 385476151 /nfs/dbraw/zinc/47/61/51/385476151.db2.gz DRSIGUHCTOYEFJ-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO C[C@@H](CCO)CC[NH2+]Cc1cc(F)ccc1O ZINC000295203882 385492050 /nfs/dbraw/zinc/49/20/50/385492050.db2.gz ZCTVIUSTIMKRBI-SNVBAGLBSA-N 1 0 241.306 2.030 20 10 BECDRO Cc1c(C[NH2+][C@@H](C)c2ccccc2O)cnn1C ZINC000179900444 385497589 /nfs/dbraw/zinc/49/75/89/385497589.db2.gz CYVWVLKEQVFONA-JTQLQIEISA-N 1 0 245.326 2.285 20 10 BECDRO CCC[C@H](C[NH2+]Cc1cc(F)ccc1O)OC ZINC000293543846 385637075 /nfs/dbraw/zinc/63/70/75/385637075.db2.gz AXESODIXAUUOJK-GFCCVEGCSA-N 1 0 241.306 2.436 20 10 BECDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000229964510 385694492 /nfs/dbraw/zinc/69/44/92/385694492.db2.gz XMKBIQPBYDDCBZ-QWRGUYRKSA-N 1 0 223.316 2.122 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](CCO)C(C)C)c1 ZINC000230690476 385750213 /nfs/dbraw/zinc/75/02/13/385750213.db2.gz WNUJYOSRQPHEJR-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO CCCC[N@H+](CCCO)Cc1ccccc1O ZINC000282428785 385761106 /nfs/dbraw/zinc/76/11/06/385761106.db2.gz JXBTYWGAIJFMPJ-UHFFFAOYSA-N 1 0 237.343 2.377 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@H](CO)C(C)(C)C ZINC000271246473 385811088 /nfs/dbraw/zinc/81/10/88/385811088.db2.gz CPQDUQZBXPTSBQ-CYBMUJFWSA-N 1 0 237.343 2.231 20 10 BECDRO Nc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000294815709 385899315 /nfs/dbraw/zinc/89/93/15/385899315.db2.gz QVZKHKXBWZYBQT-ZWNOBZJWSA-N 1 0 247.342 2.115 20 10 BECDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1O ZINC000272575953 385914643 /nfs/dbraw/zinc/91/46/43/385914643.db2.gz UKFLWOWDQVOLTG-LBPRGKRZSA-N 1 0 245.326 2.157 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CO)c(O)c1C ZINC000273399475 385994864 /nfs/dbraw/zinc/99/48/64/385994864.db2.gz MTAWWMCLWVFSGJ-SKDRFNHKSA-N 1 0 237.343 2.288 20 10 BECDRO CS[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000295026993 385946440 /nfs/dbraw/zinc/94/64/40/385946440.db2.gz LFFFRZZJXSUDKD-LLVKDONJSA-N 1 0 223.341 2.330 20 10 BECDRO C[C@]1([NH2+]Cc2ccccc2O)CCO[C@H]1C1CC1 ZINC000273057722 385963005 /nfs/dbraw/zinc/96/30/05/385963005.db2.gz DKXYRUXQJSLAII-GJZGRUSLSA-N 1 0 247.338 2.439 20 10 BECDRO CC[C@@H]([NH2+]CCN(C)C)c1ccc(C)cc1O ZINC000286903059 386083257 /nfs/dbraw/zinc/08/32/57/386083257.db2.gz DQVQWTCRIFEOIS-CYBMUJFWSA-N 1 0 236.359 2.303 20 10 BECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000274408085 386098827 /nfs/dbraw/zinc/09/88/27/386098827.db2.gz CUYGQWPQSTZVOK-NNTXTVRGSA-N 1 0 249.354 2.420 20 10 BECDRO C[C@@H](CO)[N@@H+](Cc1ccccc1O)CC1CCC1 ZINC000289389214 386294879 /nfs/dbraw/zinc/29/48/79/386294879.db2.gz NIQDWKIRTPAYJQ-LBPRGKRZSA-N 1 0 249.354 2.375 20 10 BECDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(C)ccc1O ZINC000226648565 386353565 /nfs/dbraw/zinc/35/35/65/386353565.db2.gz LMLPUOUOXAKUMP-CQSZACIVSA-N 1 0 237.343 2.341 20 10 BECDRO COC[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000265857859 386378658 /nfs/dbraw/zinc/37/86/58/386378658.db2.gz WOZQYZKZQDMUSO-CYBMUJFWSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H](C)O)c(O)c1 ZINC000293677465 386670894 /nfs/dbraw/zinc/67/08/94/386670894.db2.gz KCLJLYKIBCGRFD-NEPJUHHUSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000293991662 386672741 /nfs/dbraw/zinc/67/27/41/386672741.db2.gz LQGXGXBAZYKARE-ZDUSSCGKSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1c(C[N@H+](C)Cc2ccccc2O)cnn1C ZINC000268874190 386710156 /nfs/dbraw/zinc/71/01/56/386710156.db2.gz AMDHJKFOJMYBSA-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO C[C@H]([NH2+]CC1=NOCC1)c1ccc(N(C)C)cc1 ZINC001645342038 1172655741 /nfs/dbraw/zinc/65/57/41/1172655741.db2.gz ZAMIREXAZFMRKH-NSHDSACASA-N 1 0 247.342 2.180 20 10 BECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1CF ZINC000293824676 386884513 /nfs/dbraw/zinc/88/45/13/386884513.db2.gz AHITWMHFNKNKBJ-SNVBAGLBSA-N 1 0 227.254 2.465 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1 ZINC000292861320 387216895 /nfs/dbraw/zinc/21/68/95/387216895.db2.gz ASLJEGUKPJRDMV-SWLSCSKDSA-N 1 0 249.354 2.341 20 10 BECDRO C[C@@H]([NH2+]CC12CC(C1)CO2)c1ccccc1O ZINC000527985278 387802260 /nfs/dbraw/zinc/80/22/60/387802260.db2.gz UQLMRCGGNXMFPJ-CDWSIMAYSA-N 1 0 233.311 2.222 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN(C)C)c(O)c1 ZINC000294002604 177870823 /nfs/dbraw/zinc/87/08/23/177870823.db2.gz CSAZPMJMKCNCIP-GFCCVEGCSA-N 1 0 236.359 2.221 20 10 BECDRO CO[C@H](C)C[NH2+]Cc1c(O)cccc1Cl ZINC000223865831 387937101 /nfs/dbraw/zinc/93/71/01/387937101.db2.gz HYWKOFHGAGIXAM-MRVPVSSYSA-N 1 0 229.707 2.170 20 10 BECDRO CO[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000293729342 388391654 /nfs/dbraw/zinc/39/16/54/388391654.db2.gz RFBMHFCPHPWFPT-OCCSQVGLSA-N 1 0 247.338 2.394 20 10 BECDRO Cc1nocc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000294357136 388399487 /nfs/dbraw/zinc/39/94/87/388399487.db2.gz ZSRJMNQJFUKYAD-UHFFFAOYSA-N 1 0 245.326 2.339 20 10 BECDRO C[C@@H](CCCO)C[NH2+]Cc1cc(F)ccc1O ZINC000294748083 388403498 /nfs/dbraw/zinc/40/34/98/388403498.db2.gz HVLIRHDSRNPJJW-JTQLQIEISA-N 1 0 241.306 2.030 20 10 BECDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccccc1O ZINC000295116525 388409321 /nfs/dbraw/zinc/40/93/21/388409321.db2.gz VVYVNRTXZYEGLW-JTQLQIEISA-N 1 0 223.316 2.031 20 10 BECDRO CC[C@H](CCO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297625812 388430908 /nfs/dbraw/zinc/43/09/08/388430908.db2.gz JBYNRZCFBRIEAH-DGCLKSJQSA-N 1 0 249.354 2.378 20 10 BECDRO C[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134899005 388480141 /nfs/dbraw/zinc/48/01/41/388480141.db2.gz ISDZZYIPAOPAFZ-YUMQZZPRSA-N 1 0 229.707 2.077 20 10 BECDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccccc1O ZINC000530219807 388631779 /nfs/dbraw/zinc/63/17/79/388631779.db2.gz MZUIHFKIRQTVQY-FZMZJTMJSA-N 1 0 246.354 2.327 20 10 BECDRO CS[C@@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000226617151 388723809 /nfs/dbraw/zinc/72/38/09/388723809.db2.gz QBBJVWGJMRJBTB-QMMMGPOBSA-N 1 0 229.320 2.372 20 10 BECDRO CC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020085658 132329946 /nfs/dbraw/zinc/32/99/46/132329946.db2.gz INERAIQXTQKTND-CYBMUJFWSA-N 1 0 248.370 2.411 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000367047429 136112287 /nfs/dbraw/zinc/11/22/87/136112287.db2.gz JCEPALIPSQCXHV-HNNXBMFYSA-N 1 0 247.338 2.456 20 10 BECDRO C[N@@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC000179947574 397854518 /nfs/dbraw/zinc/85/45/18/397854518.db2.gz JICXSYQYBUCUDD-UHFFFAOYSA-N 1 0 209.264 2.373 20 10 BECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000185823897 397874864 /nfs/dbraw/zinc/87/48/64/397874864.db2.gz LUBUYQNAASZHNB-NNTXTVRGSA-N 1 0 248.370 2.169 20 10 BECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CO)cc1 ZINC000035602372 169803976 /nfs/dbraw/zinc/80/39/76/169803976.db2.gz ZDCKJAGIUDSUOQ-GFCCVEGCSA-N 1 0 236.359 2.003 20 10 BECDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC000179579960 168013317 /nfs/dbraw/zinc/01/33/17/168013317.db2.gz VDCQKUVQQPFZIV-TXEJJXNPSA-N 1 0 217.312 2.480 20 10 BECDRO CC1([NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000159918706 168063124 /nfs/dbraw/zinc/06/31/24/168063124.db2.gz NQWCIWIPNZMMFQ-UHFFFAOYSA-N 1 0 235.283 2.153 20 10 BECDRO Cc1ccc(O)c(C[N@H+](C)CCCCCO)c1 ZINC000279433666 411448474 /nfs/dbraw/zinc/44/84/74/411448474.db2.gz OHIIWXNSOJGCRI-UHFFFAOYSA-N 1 0 237.343 2.295 20 10 BECDRO CCOC1CC([N@H+](C)Cc2ccccc2O)C1 ZINC000278585810 170328601 /nfs/dbraw/zinc/32/86/01/170328601.db2.gz KPUZMRUEHRNWGC-UHFFFAOYSA-N 1 0 235.327 2.392 20 10 BECDRO CCOCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295982204 170382172 /nfs/dbraw/zinc/38/21/72/170382172.db2.gz NGYXIPFZTBUFHR-GFCCVEGCSA-N 1 0 235.327 2.396 20 10 BECDRO CCOCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295982208 170383356 /nfs/dbraw/zinc/38/33/56/170383356.db2.gz NGYXIPFZTBUFHR-LBPRGKRZSA-N 1 0 235.327 2.396 20 10 BECDRO CC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000291816022 171024476 /nfs/dbraw/zinc/02/44/76/171024476.db2.gz DMLVVBDUAKMFLE-SNVBAGLBSA-N 1 0 235.283 2.105 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000125493349 171089188 /nfs/dbraw/zinc/08/91/88/171089188.db2.gz DQMGZQBRMOSHNH-OAHLLOKOSA-N 1 0 248.370 2.363 20 10 BECDRO CC[C@@](C)(CCO)[NH2+]Cc1cccc(C)c1O ZINC000224906845 171165087 /nfs/dbraw/zinc/16/50/87/171165087.db2.gz SYRQLUZYJWMWIL-AWEZNQCLSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000077111487 171171257 /nfs/dbraw/zinc/17/12/57/171171257.db2.gz ZYLVKXVQLPCCOT-AWEZNQCLSA-N 1 0 236.359 2.003 20 10 BECDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618375 171183671 /nfs/dbraw/zinc/18/36/71/171183671.db2.gz OHIGBBFVRRXDBX-TVQRCGJNSA-N 1 0 241.306 2.343 20 10 BECDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccccc1O ZINC000191012510 171213541 /nfs/dbraw/zinc/21/35/41/171213541.db2.gz NINWNWMXCCTENU-AWEZNQCLSA-N 1 0 235.327 2.129 20 10 BECDRO CN(C)c1ccc(C[NH2+]Cc2cccn2C)cc1 ZINC000020360533 172553125 /nfs/dbraw/zinc/55/31/25/172553125.db2.gz JNUGVXGVRWHPKP-UHFFFAOYSA-N 1 0 243.354 2.381 20 10 BECDRO COCC1([NH2+]Cc2ccccc2O)CCC1 ZINC000283833410 174110043 /nfs/dbraw/zinc/11/00/43/174110043.db2.gz FGEXFMGZFQSDEU-UHFFFAOYSA-N 1 0 221.300 2.051 20 10 BECDRO COCCCCC[NH2+]Cc1cc(F)ccc1O ZINC000226588126 174183577 /nfs/dbraw/zinc/18/35/77/174183577.db2.gz HJICTZCAQPAAJM-UHFFFAOYSA-N 1 0 241.306 2.438 20 10 BECDRO COCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111335 174249008 /nfs/dbraw/zinc/24/90/08/174249008.db2.gz FBIYYDZTKJLLQL-VIFPVBQESA-N 1 0 227.279 2.218 20 10 BECDRO COc1ccc(C[NH2+]CCCCCO)cc1C ZINC000083365139 175106902 /nfs/dbraw/zinc/10/69/02/175106902.db2.gz CWNUNEXEVKUSOH-UHFFFAOYSA-N 1 0 237.343 2.256 20 10 BECDRO COc1ccc(C[NH2+]Cc2ccco2)c(O)c1 ZINC000040905571 175108287 /nfs/dbraw/zinc/10/82/87/175108287.db2.gz WDEAIVXPBDEBBS-UHFFFAOYSA-N 1 0 233.267 2.284 20 10 BECDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)cc1C ZINC000077424311 175109444 /nfs/dbraw/zinc/10/94/44/175109444.db2.gz MEBGOXGTTITDDU-NEPJUHHUSA-N 1 0 237.343 2.110 20 10 BECDRO COc1ccc(C[NH2+][C@@]2(C)CCOC2)cc1C ZINC000160180979 175110932 /nfs/dbraw/zinc/11/09/32/175110932.db2.gz YJCZXTRLYXAGED-AWEZNQCLSA-N 1 0 235.327 2.272 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC000294086978 175158155 /nfs/dbraw/zinc/15/81/55/175158155.db2.gz RHCMPCZOIDTTGI-LLVKDONJSA-N 1 0 239.290 2.335 20 10 BECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCF)c1 ZINC000271855365 175160333 /nfs/dbraw/zinc/16/03/33/175160333.db2.gz SFWPYHZPLWMVTI-MRVPVSSYSA-N 1 0 213.252 2.021 20 10 BECDRO COc1cccc(C[N@H+](C)CC2CC2)c1O ZINC000122930959 175256013 /nfs/dbraw/zinc/25/60/13/175256013.db2.gz RWVXJZDFSWZHOF-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO COc1cccc(C[N@@H+]2CC[C@H](C)C2)c1O ZINC000132668325 175259798 /nfs/dbraw/zinc/25/97/98/175259798.db2.gz ORBCCTSDSUJLLU-JTQLQIEISA-N 1 0 221.300 2.243 20 10 BECDRO C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2O)O1 ZINC000190861001 177189347 /nfs/dbraw/zinc/18/93/47/177189347.db2.gz RYTOPCITNQFVAQ-AAEUAGOBSA-N 1 0 235.327 2.392 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC(C)(C)O1 ZINC000133105197 177266230 /nfs/dbraw/zinc/26/62/30/177266230.db2.gz IUAPEYFTTYJGDB-NSHDSACASA-N 1 0 235.327 2.392 20 10 BECDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1O ZINC000132611576 177266368 /nfs/dbraw/zinc/26/63/68/177266368.db2.gz YBIJZSUQEIAVTR-MNOVXSKESA-N 1 0 221.300 2.001 20 10 BECDRO COc1ccc(O)c(C[NH2+]CC2CC=CC2)c1 ZINC000529643340 324370751 /nfs/dbraw/zinc/37/07/51/324370751.db2.gz ZSRSGLOWYZPVDR-UHFFFAOYSA-N 1 0 233.311 2.457 20 10 BECDRO COc1ccc(C[N@H+](C)C(C)C)c(O)c1OC ZINC000891450290 582689276 /nfs/dbraw/zinc/68/92/76/582689276.db2.gz GFLHHKNUQULSOE-UHFFFAOYSA-N 1 0 239.315 2.250 20 10 BECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)CCO ZINC000894046226 583287575 /nfs/dbraw/zinc/28/75/75/583287575.db2.gz LLFZMFJBHOJABW-LBPRGKRZSA-N 1 0 236.359 2.133 20 10 BECDRO C[NH2+]C[C@@H](C)NCc1cc(Cl)cc(C)c1O ZINC000853249733 588729085 /nfs/dbraw/zinc/72/90/85/588729085.db2.gz VKVAXWFMJMDPTH-SECBINFHSA-N 1 0 242.750 2.052 20 10 BECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000853594287 588749736 /nfs/dbraw/zinc/74/97/36/588749736.db2.gz CWWIGODJEZHSSU-UHFFFAOYSA-N 1 0 247.338 2.231 20 10 BECDRO Cc1ccc(O)c([C@@H](C)NCC23CC(C2)C[NH2+]3)c1 ZINC000854226608 588780647 /nfs/dbraw/zinc/78/06/47/588780647.db2.gz IRNQEXMTZCRVHZ-XIKARTHZSA-N 1 0 246.354 2.103 20 10 BECDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000854233299 588781342 /nfs/dbraw/zinc/78/13/42/588781342.db2.gz XSDMWDLBCZDENJ-VXGBXAGGSA-N 1 0 235.375 2.011 20 10 BECDRO CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000112465872 588799245 /nfs/dbraw/zinc/79/92/45/588799245.db2.gz IQRRNOGBMLZJNI-NSHDSACASA-N 1 0 249.310 2.495 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C/C=C/CO)c(O)c1C ZINC000850510269 582923624 /nfs/dbraw/zinc/92/36/24/582923624.db2.gz WYTGRPFFUNKXHL-ZYOFXKKJSA-N 1 0 235.327 2.208 20 10 BECDRO COC[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113310991 583102935 /nfs/dbraw/zinc/10/29/35/583102935.db2.gz XTXICMOZWODFIH-SNVBAGLBSA-N 1 0 240.322 2.016 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)c1 ZINC000775985516 583108317 /nfs/dbraw/zinc/10/83/17/583108317.db2.gz MBVSYYONAHWEBO-OLZOCXBDSA-N 1 0 248.370 2.225 20 10 BECDRO COc1cc(C)cc(C[NH2+][C@H]2CC23CC3)c1O ZINC000895053690 583574802 /nfs/dbraw/zinc/57/48/02/583574802.db2.gz RUBPACAXLMMIKH-LBPRGKRZSA-N 1 0 233.311 2.351 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCCC[C@@H]2CO)c1O ZINC000895151372 583606790 /nfs/dbraw/zinc/60/67/90/583606790.db2.gz TXGLNSOJSKEJRA-CQSZACIVSA-N 1 0 249.354 2.438 20 10 BECDRO CC1=NO[C@H](C[NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000895308334 583645839 /nfs/dbraw/zinc/64/58/39/583645839.db2.gz JPTASDUNNSRRCE-ZDUSSCGKSA-N 1 0 248.326 2.263 20 10 BECDRO Cc1ccc(C[N@H+](C)CCCF)c(O)c1 ZINC000895895836 583743541 /nfs/dbraw/zinc/74/35/41/583743541.db2.gz FFQMOTINTONFEJ-UHFFFAOYSA-N 1 0 211.280 2.492 20 10 BECDRO Cc1ccc(C[N@@H+]2CCO[C@@H](C)CC2)c(O)c1 ZINC000896579057 583814495 /nfs/dbraw/zinc/81/44/95/583814495.db2.gz MQBHDLFPCPZEKF-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCn2cccc2C1 ZINC000896759768 583831373 /nfs/dbraw/zinc/83/13/73/583831373.db2.gz FIVDOKBMKZOGMN-UHFFFAOYSA-N 1 0 228.295 2.210 20 10 BECDRO COc1ccc(C[NH2+]CC[C@H](O)C2CC2)cc1C ZINC000898206043 584092018 /nfs/dbraw/zinc/09/20/18/584092018.db2.gz KJXQNFIBUZTQNK-AWEZNQCLSA-N 1 0 249.354 2.254 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c(O)c1 ZINC000898377434 584114070 /nfs/dbraw/zinc/11/40/70/584114070.db2.gz VABUBLBMUOUCTF-KBPBESRZSA-N 1 0 247.338 2.215 20 10 BECDRO Cc1cc(O)c(CN[C@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000841059986 584126109 /nfs/dbraw/zinc/12/61/09/584126109.db2.gz ZHWSVZKLAOUWNQ-YGRLFVJLSA-N 1 0 248.370 2.097 20 10 BECDRO Cl/C=C\C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000898435987 584135983 /nfs/dbraw/zinc/13/59/83/584135983.db2.gz OXLILAHYTKCMBO-KTAJNNJTSA-N 1 0 223.703 2.464 20 10 BECDRO C[C@@H]([NH2+]CC1COC1)c1ccc(N(C)C)cc1 ZINC000858550557 588964550 /nfs/dbraw/zinc/96/45/50/588964550.db2.gz PKSVSDYNVNXSFF-LLVKDONJSA-N 1 0 234.343 2.050 20 10 BECDRO CCN(C)c1ccc([C@@H](C)NCC2([NH3+])CC2)cc1 ZINC000902416294 584590449 /nfs/dbraw/zinc/59/04/49/584590449.db2.gz MNZICTSKDJXAQV-GFCCVEGCSA-N 1 0 247.386 2.285 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902476003 584602490 /nfs/dbraw/zinc/60/24/90/584602490.db2.gz LKXNWKAAVWPCTJ-UZGDPCLZSA-N 1 0 246.354 2.244 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902468058 584615013 /nfs/dbraw/zinc/61/50/13/584615013.db2.gz LKXNWKAAVWPCTJ-CDGCEXEKSA-N 1 0 246.354 2.244 20 10 BECDRO CC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1O ZINC000902470288 584616365 /nfs/dbraw/zinc/61/63/65/584616365.db2.gz WFUHNYVHZXCHPE-IGHBBLSQSA-N 1 0 246.354 2.326 20 10 BECDRO Cc1ccc([C@@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(O)c1 ZINC000902469897 584616575 /nfs/dbraw/zinc/61/65/75/584616575.db2.gz SJXZRWSFWVZKRA-ZMJPVWNMSA-N 1 0 246.354 2.244 20 10 BECDRO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1O ZINC000903287105 584745872 /nfs/dbraw/zinc/74/58/72/584745872.db2.gz AADUTRPDXVZVRE-KVMADOOQSA-N 1 0 245.322 2.219 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCN2C)c(O)c1 ZINC000903315892 584749734 /nfs/dbraw/zinc/74/97/34/584749734.db2.gz ABCLAERTGUNCLM-QWHCGFSZSA-N 1 0 248.370 2.364 20 10 BECDRO CC[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(C)cc1O ZINC000903315919 584749736 /nfs/dbraw/zinc/74/97/36/584749736.db2.gz AFCAURFNBPZJND-OCCSQVGLSA-N 1 0 248.370 2.445 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H](O)C1CC1)CC2 ZINC000903407485 584758685 /nfs/dbraw/zinc/75/86/85/584758685.db2.gz OPZSXGOCKDNMNV-OLZOCXBDSA-N 1 0 247.338 2.130 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@@H](O)C1CC1)CC2 ZINC000903407486 584758699 /nfs/dbraw/zinc/75/86/99/584758699.db2.gz OPZSXGOCKDNMNV-QWHCGFSZSA-N 1 0 247.338 2.130 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)C[C@H]1CCOC1 ZINC000876788589 584886797 /nfs/dbraw/zinc/88/67/97/584886797.db2.gz FSUIVZMJKPJARP-GFCCVEGCSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)c(O)c1 ZINC000877062977 584889368 /nfs/dbraw/zinc/88/93/68/584889368.db2.gz AAEHSJWPLHXJJM-YPMHNXCESA-N 1 0 235.327 2.215 20 10 BECDRO COCCC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000826898802 584896426 /nfs/dbraw/zinc/89/64/26/584896426.db2.gz AAKJLGVDOSDONO-UHFFFAOYSA-N 1 0 248.370 2.221 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC000827700665 584900681 /nfs/dbraw/zinc/90/06/81/584900681.db2.gz WOAMURYYSCYKAY-SWLSCSKDSA-N 1 0 249.354 2.151 20 10 BECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000839147540 585092327 /nfs/dbraw/zinc/09/23/27/585092327.db2.gz MOSDHJAQJWCLMS-TXEJJXNPSA-N 1 0 221.300 2.049 20 10 BECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000839147138 585092499 /nfs/dbraw/zinc/09/24/99/585092499.db2.gz DYPGHEICDWJPLA-OTVXOJSOSA-N 1 0 248.370 2.410 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000839137650 585094632 /nfs/dbraw/zinc/09/46/32/585094632.db2.gz GPWYEUAYSFEUPQ-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccn(C)n1 ZINC000839192511 585097318 /nfs/dbraw/zinc/09/73/18/585097318.db2.gz VEZLXQLGVMXUIY-SECBINFHSA-N 1 0 249.289 2.116 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000751946531 585239391 /nfs/dbraw/zinc/23/93/91/585239391.db2.gz VXJNIUZYFVFPOR-AWEZNQCLSA-N 1 0 247.338 2.102 20 10 BECDRO CC[N@H+](CCOC)Cc1cc(C)cc(C)c1O ZINC000754724222 585289976 /nfs/dbraw/zinc/28/99/76/585289976.db2.gz ZWXDBEFKBSULEL-UHFFFAOYSA-N 1 0 237.343 2.477 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]CCCO)c2c1c(F)ccc2O ZINC000756343769 585317983 /nfs/dbraw/zinc/31/79/83/585317983.db2.gz OAZRDTWGBBNGHZ-WCBMZHEXSA-N 1 0 239.290 2.052 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C)C1 ZINC000769102580 585549172 /nfs/dbraw/zinc/54/91/72/585549172.db2.gz OMFCTVRKEOYUQW-JTQLQIEISA-N 1 0 221.300 2.243 20 10 BECDRO Cc1cc(O)c(C[N@H+](CCCO)C2CC2)cc1C ZINC000769404648 585555685 /nfs/dbraw/zinc/55/56/85/585555685.db2.gz MZPFSAMNUCOCAN-UHFFFAOYSA-N 1 0 249.354 2.356 20 10 BECDRO COc1cccc(O)c1C[N@H+](C)C1CCC1 ZINC000769443340 585556665 /nfs/dbraw/zinc/55/66/65/585556665.db2.gz XFTHARSTBDXUHN-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO CC(C)(C)C[N@H+](CCO)Cc1ccccc1O ZINC000770510853 585575251 /nfs/dbraw/zinc/57/52/51/585575251.db2.gz SDFCFXAFWNUGON-UHFFFAOYSA-N 1 0 237.343 2.233 20 10 BECDRO COC[C@H](C)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000772994903 585629278 /nfs/dbraw/zinc/62/92/78/585629278.db2.gz CBDPPAYSCAQKPL-LBPRGKRZSA-N 1 0 236.359 2.186 20 10 BECDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000774830341 585666951 /nfs/dbraw/zinc/66/69/51/585666951.db2.gz BZHFTWQWWTULLE-TZMCWYRMSA-N 1 0 235.327 2.297 20 10 BECDRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000775763256 585684051 /nfs/dbraw/zinc/68/40/51/585684051.db2.gz FKBLJHNMDDUWNT-NSHDSACASA-N 1 0 249.310 2.351 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1O ZINC000775987352 585688702 /nfs/dbraw/zinc/68/87/02/585688702.db2.gz VLONYJHUMXWEMV-OLZOCXBDSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)c1O ZINC000775987347 585688726 /nfs/dbraw/zinc/68/87/26/585688726.db2.gz VLONYJHUMXWEMV-CHWSQXEVSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1cccc(C[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000777483034 585713630 /nfs/dbraw/zinc/71/36/30/585713630.db2.gz BTAVXPRBLIKIJT-GFCCVEGCSA-N 1 0 248.370 2.132 20 10 BECDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccccc1O ZINC000777824413 585720665 /nfs/dbraw/zinc/72/06/65/585720665.db2.gz FBQVPOFHWAVVHU-TZMCWYRMSA-N 1 0 248.370 2.164 20 10 BECDRO CC(C)[N@@H+](Cc1cc(F)ccc1O)C[C@@H](C)O ZINC000779013662 585744028 /nfs/dbraw/zinc/74/40/28/585744028.db2.gz HQWFAAILIXCDAZ-SNVBAGLBSA-N 1 0 241.306 2.123 20 10 BECDRO COc1cccc(O)c1C[N@H+]1CC=CCC1 ZINC000779159499 585746448 /nfs/dbraw/zinc/74/64/48/585746448.db2.gz KZGQABIFHWRGBR-UHFFFAOYSA-N 1 0 219.284 2.163 20 10 BECDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000785988379 585884651 /nfs/dbraw/zinc/88/46/51/585884651.db2.gz MPBMLPUDKQYWMZ-YRGRVCCFSA-N 1 0 249.354 2.374 20 10 BECDRO COc1cccc(C[N@H+]2[C@H](C)C[C@@H]2C)c1O ZINC000793220812 586014506 /nfs/dbraw/zinc/01/45/06/586014506.db2.gz QREUSXHJPRCEPB-AOOOYVTPSA-N 1 0 221.300 2.384 20 10 BECDRO COc1ccc(O)c(C[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000793228795 586014684 /nfs/dbraw/zinc/01/46/84/586014684.db2.gz QXZMIFJXMOLXMY-UWVGGRQHSA-N 1 0 221.300 2.384 20 10 BECDRO OC[C@@H](CC1CCC1)[NH2+]Cc1ccccc1O ZINC000793323954 586016851 /nfs/dbraw/zinc/01/68/51/586016851.db2.gz VPYREZGQEAJTPT-CYBMUJFWSA-N 1 0 235.327 2.033 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(C)COC1 ZINC000796310979 586100298 /nfs/dbraw/zinc/10/02/98/586100298.db2.gz OGEZGSVCLPEASW-UHFFFAOYSA-N 1 0 248.370 2.187 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCOCC23CC3)c1 ZINC000802658588 586308472 /nfs/dbraw/zinc/30/84/72/586308472.db2.gz ISDZHMRIQXWVPE-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C)c2O)C1 ZINC000809693125 586513384 /nfs/dbraw/zinc/51/33/84/586513384.db2.gz OJUPGHOOIAYGGC-BETUJISGSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cc(O)c(C[N@H+](C)C[C@H](O)C2CC2)cc1C ZINC000809750920 586517415 /nfs/dbraw/zinc/51/74/15/586517415.db2.gz BTRJYDDGRZHFIL-HNNXBMFYSA-N 1 0 249.354 2.212 20 10 BECDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H](C)CO ZINC000814169620 586615151 /nfs/dbraw/zinc/61/51/51/586615151.db2.gz KOADDICHNSSYTN-GFCCVEGCSA-N 1 0 237.343 2.212 20 10 BECDRO Cc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)ccc1N(C)C ZINC000815079561 586666211 /nfs/dbraw/zinc/66/62/11/586666211.db2.gz SEPYIBASCMARIS-JSGCOSHPSA-N 1 0 248.370 2.016 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(C)C2)c(O)c1 ZINC000815576341 586688184 /nfs/dbraw/zinc/68/81/84/586688184.db2.gz OPPWEODVHOIXRY-STQMWFEESA-N 1 0 248.370 2.364 20 10 BECDRO CC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000816560457 586740602 /nfs/dbraw/zinc/74/06/02/586740602.db2.gz PFTXPXFZCVYYGS-CYBMUJFWSA-N 1 0 245.322 2.406 20 10 BECDRO C[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816558833 586740912 /nfs/dbraw/zinc/74/09/12/586740912.db2.gz MSEXYFHKIGDDDN-SNVBAGLBSA-N 1 0 231.295 2.016 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000816649132 586751573 /nfs/dbraw/zinc/75/15/73/586751573.db2.gz URQBEHJEVSLERC-UWVGGRQHSA-N 1 0 221.300 2.241 20 10 BECDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000816660378 586753542 /nfs/dbraw/zinc/75/35/42/586753542.db2.gz BHPHNKSMRIIOKQ-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO CC[C@@H]([NH2+]CCC[NH2+]C)c1ccc(F)cc1[O-] ZINC000817941740 586845316 /nfs/dbraw/zinc/84/53/16/586845316.db2.gz WAYDBYBAWBVKMI-GFCCVEGCSA-N 1 0 240.322 2.182 20 10 BECDRO Cc1cc(C)c([C@@H](C)N[C@H]2CC[NH2+]C2)c(O)c1 ZINC000817945216 586845882 /nfs/dbraw/zinc/84/58/82/586845882.db2.gz XJTMZTUQKWFVEC-NEPJUHHUSA-N 1 0 234.343 2.022 20 10 BECDRO Cc1cc(C)c([C@@H](C)N[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000817945219 586845911 /nfs/dbraw/zinc/84/59/11/586845911.db2.gz XJTMZTUQKWFVEC-VXGBXAGGSA-N 1 0 234.343 2.022 20 10 BECDRO CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817943140 586846604 /nfs/dbraw/zinc/84/66/04/586846604.db2.gz JCWHPJXPYQNHIV-JTQLQIEISA-N 1 0 240.322 2.182 20 10 BECDRO CC[NH2+]CCN[C@@H](CC)c1ccc(C)cc1O ZINC000817951193 586847552 /nfs/dbraw/zinc/84/75/52/586847552.db2.gz AZTJFUHQAZDUND-ZDUSSCGKSA-N 1 0 236.359 2.351 20 10 BECDRO Cc1cc(C)c([C@@H](C)NCC[NH2+]C2CC2)c(O)c1 ZINC000817954454 586850104 /nfs/dbraw/zinc/85/01/04/586850104.db2.gz YADJBZWIKGCVIW-GFCCVEGCSA-N 1 0 248.370 2.412 20 10 BECDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000817957337 586850342 /nfs/dbraw/zinc/85/03/42/586850342.db2.gz BAVKARBSSNHTGQ-IUODEOHRSA-N 1 0 249.402 2.387 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c(O)c1C ZINC000817961113 586851839 /nfs/dbraw/zinc/85/18/39/586851839.db2.gz XIJLDPTTZCEAPJ-LLVKDONJSA-N 1 0 236.359 2.397 20 10 BECDRO C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(N(C)C)cc1 ZINC000817961214 586852801 /nfs/dbraw/zinc/85/28/01/586852801.db2.gz VJZWNQZEVJKHQJ-XHDPSFHLSA-N 1 0 247.386 2.141 20 10 BECDRO CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(F)cc1[O-] ZINC000817963025 586853006 /nfs/dbraw/zinc/85/30/06/586853006.db2.gz QHGPLHSMGRJHRC-SKDRFNHKSA-N 1 0 240.322 2.167 20 10 BECDRO CC[C@@H]([NH2+][C@H](CN)C1CC1)c1ccccc1O ZINC000817961460 586853193 /nfs/dbraw/zinc/85/31/93/586853193.db2.gz ZFJYYOWKHXFKMP-CHWSQXEVSA-N 1 0 234.343 2.170 20 10 BECDRO CCN(C)c1ccc([C@H](C)N[C@H](C)C[NH3+])cc1 ZINC000817966542 586854792 /nfs/dbraw/zinc/85/47/92/586854792.db2.gz PVDSDIKIKZAJEH-NEPJUHHUSA-N 1 0 235.375 2.141 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)CN)c1ccc(C)cc1O ZINC000817969620 586856056 /nfs/dbraw/zinc/85/60/56/586856056.db2.gz FCGAOZLJSFONCJ-JQWIXIFHSA-N 1 0 222.332 2.089 20 10 BECDRO CC[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc(Cl)c1[O-] ZINC000817973937 586860970 /nfs/dbraw/zinc/86/09/70/586860970.db2.gz WWAXPNMUEIRXSN-KWQFWETISA-N 1 0 242.750 2.434 20 10 BECDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Cl)cc1O ZINC000818357637 586888827 /nfs/dbraw/zinc/88/88/27/586888827.db2.gz CRDYMWYJYCIHSJ-WHGOUJPWSA-N 1 0 241.718 2.220 20 10 BECDRO CO[C@@H](C[N@H+](C)Cc1ccccc1O)C1CC1 ZINC000822739760 587183601 /nfs/dbraw/zinc/18/36/01/587183601.db2.gz IABNVJANSKLPAO-AWEZNQCLSA-N 1 0 235.327 2.249 20 10 BECDRO CO[C@H](C[N@H+](C)Cc1ccccc1O)C1CC1 ZINC000822739762 587183780 /nfs/dbraw/zinc/18/37/80/587183780.db2.gz IABNVJANSKLPAO-CQSZACIVSA-N 1 0 235.327 2.249 20 10 BECDRO Oc1ccc(F)cc1C[NH+]1CC2(CC2)C1 ZINC000824533554 587273943 /nfs/dbraw/zinc/27/39/43/587273943.db2.gz HUNUSJJPJNCWFB-UHFFFAOYSA-N 1 0 207.248 2.127 20 10 BECDRO COCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824547780 587275445 /nfs/dbraw/zinc/27/54/45/587275445.db2.gz BVPHSWPMPUMRTO-UHFFFAOYSA-N 1 0 243.734 2.432 20 10 BECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(O)c1 ZINC000824571042 587276915 /nfs/dbraw/zinc/27/69/15/587276915.db2.gz HRUPRCQMNZSBRZ-LLVKDONJSA-N 1 0 239.290 2.335 20 10 BECDRO Cc1ncc(C[N@H+](C)Cc2ccccc2O)n1C ZINC000824593175 587278545 /nfs/dbraw/zinc/27/85/45/587278545.db2.gz LXVLATOADXUFJL-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO COCCC1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000826899860 587364796 /nfs/dbraw/zinc/36/47/96/587364796.db2.gz XHHCIVRLRRLWLQ-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO COCCC1C[NH+](Cc2cccc(C)c2O)C1 ZINC000826899870 587364817 /nfs/dbraw/zinc/36/48/17/587364817.db2.gz XUUDBQDEWAQILK-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000827005281 587367687 /nfs/dbraw/zinc/36/76/87/587367687.db2.gz DFJLKNDSZIYMPL-HAQNSBGRSA-N 1 0 239.290 2.188 20 10 BECDRO Cc1nnc(CN(C)Cc2cc(C)ccc2O)o1 ZINC000827039280 587368501 /nfs/dbraw/zinc/36/85/01/587368501.db2.gz MPIVRXHJQWWUAI-UHFFFAOYSA-N 1 0 247.298 2.024 20 10 BECDRO Cc1cccc(C[N@H+](C)CC2=CCCOC2)c1O ZINC000827190250 587372222 /nfs/dbraw/zinc/37/22/22/587372222.db2.gz SVTUULOREHKWAO-UHFFFAOYSA-N 1 0 247.338 2.479 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000827489661 587382815 /nfs/dbraw/zinc/38/28/15/587382815.db2.gz TZRBGPKTTDRFOH-IMRBUKKESA-N 1 0 233.311 2.289 20 10 BECDRO C[N@H+](Cc1c(O)cccc1Cl)C1(CO)CC1 ZINC000827904175 587409498 /nfs/dbraw/zinc/40/94/98/587409498.db2.gz VNUMDOMNEHNBQV-UHFFFAOYSA-N 1 0 241.718 2.002 20 10 BECDRO CCN(CC[C@H](C)O)c1ccc(OC)cc1 ZINC000828172541 587423028 /nfs/dbraw/zinc/42/30/28/587423028.db2.gz HCOXFEUYMCADNL-NSHDSACASA-N 1 0 223.316 2.292 20 10 BECDRO CN(C)c1ccc(/C=C\C[NH2+]C(C)(C)CO)cc1 ZINC000835043818 587779346 /nfs/dbraw/zinc/77/93/46/587779346.db2.gz ZNPKIPGAPSTLKB-WAYWQWQTSA-N 1 0 248.370 2.126 20 10 BECDRO C[C@H](CO)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835053907 587779555 /nfs/dbraw/zinc/77/95/55/587779555.db2.gz QDZJIGZYAQCPCM-CFHLNLSMSA-N 1 0 248.370 2.078 20 10 BECDRO CN(C)c1ccc(/C=C\C[NH2+]CCF)cc1 ZINC000835050931 587779641 /nfs/dbraw/zinc/77/96/41/587779641.db2.gz GNXHKVNQHDEWEW-ARJAWSKDSA-N 1 0 222.307 2.325 20 10 BECDRO CCn1ccc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000840839759 587924671 /nfs/dbraw/zinc/92/46/71/587924671.db2.gz RRANKPOMPFTCDL-LLVKDONJSA-N 1 0 245.326 2.459 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840916623 587929298 /nfs/dbraw/zinc/92/92/98/587929298.db2.gz CFYMBCSBFCCNCA-OAHLLOKOSA-N 1 0 248.370 2.282 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(O)CC1 ZINC000840910271 587929576 /nfs/dbraw/zinc/92/95/76/587929576.db2.gz PQLXXAMYBIDBQQ-UHFFFAOYSA-N 1 0 248.370 2.018 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840916620 587929659 /nfs/dbraw/zinc/92/96/59/587929659.db2.gz CFYMBCSBFCCNCA-HNNXBMFYSA-N 1 0 248.370 2.282 20 10 BECDRO COCC[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000840955265 587931857 /nfs/dbraw/zinc/93/18/57/587931857.db2.gz PUPJIKDNKIRBQG-GFCCVEGCSA-N 1 0 249.354 2.384 20 10 BECDRO CN(CC[NH2+]C(C)(C)C)Cc1ccccc1O ZINC000841006162 587934594 /nfs/dbraw/zinc/93/45/94/587934594.db2.gz CGNOTUAHTWGDKV-UHFFFAOYSA-N 1 0 236.359 2.212 20 10 BECDRO CC(C)C[C@H]([NH3+])CN(C)Cc1ccccc1O ZINC000841006750 587935047 /nfs/dbraw/zinc/93/50/47/587935047.db2.gz HGOJPOYBFSHGPO-ZDUSSCGKSA-N 1 0 236.359 2.197 20 10 BECDRO CCCC[C@H](CN)[NH2+]Cc1cc(C)ccc1O ZINC000841029013 587935915 /nfs/dbraw/zinc/93/59/15/587935915.db2.gz LEYTUQWPKVSEOV-CYBMUJFWSA-N 1 0 236.359 2.308 20 10 BECDRO COc1ccc(CNC[C@@H]([NH3+])C(C)C)cc1C ZINC000841029294 587936308 /nfs/dbraw/zinc/93/63/08/587936308.db2.gz MHBVVNSRVXPVLY-CYBMUJFWSA-N 1 0 236.359 2.077 20 10 BECDRO CCCC[C@@H](CN)[NH2+]Cc1cccc(C)c1O ZINC000841029801 587936284 /nfs/dbraw/zinc/93/62/84/587936284.db2.gz SILBHAYGWVNDHG-ZDUSSCGKSA-N 1 0 236.359 2.308 20 10 BECDRO Nc1ccc(CC[NH2+]C[C@@H]2CCSC2)cc1 ZINC000841038940 587938444 /nfs/dbraw/zinc/93/84/44/587938444.db2.gz VHGOHYIDCWQRQP-LBPRGKRZSA-N 1 0 236.384 2.154 20 10 BECDRO C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(N)cc1 ZINC000841039926 587938564 /nfs/dbraw/zinc/93/85/64/587938564.db2.gz DYCIXZGCCZCQGC-ZWNOBZJWSA-N 1 0 219.332 2.211 20 10 BECDRO CC[NH2+][C@H](C)CNCc1ccc(OC)c(C)c1 ZINC000841066769 587942366 /nfs/dbraw/zinc/94/23/66/587942366.db2.gz VPPFWVVXTVNKLS-GFCCVEGCSA-N 1 0 236.359 2.091 20 10 BECDRO CC[C@@H]([NH3+])CNCc1ccc(N(CC)CC)cc1 ZINC000841070290 587943000 /nfs/dbraw/zinc/94/30/00/587943000.db2.gz NXVCJHPSIFILHG-CQSZACIVSA-N 1 0 249.402 2.360 20 10 BECDRO C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000841076606 587944259 /nfs/dbraw/zinc/94/42/59/587944259.db2.gz JXNPWTDXUHDEGY-JQSFKPKSSA-N 1 0 247.386 2.091 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H](CN)C(C)(C)C)cc1 ZINC000841087689 587945462 /nfs/dbraw/zinc/94/54/62/587945462.db2.gz QLYRNSFNBWNULT-AWEZNQCLSA-N 1 0 249.402 2.216 20 10 BECDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc2c(c1)CCO2 ZINC000841087129 587945671 /nfs/dbraw/zinc/94/56/71/587945671.db2.gz JGRXPXYEACFMKA-AWEZNQCLSA-N 1 0 248.370 2.085 20 10 BECDRO CC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccccc1O ZINC000841758362 587974062 /nfs/dbraw/zinc/97/40/62/587974062.db2.gz GRHKCJMBVMTALY-VHRBIJSZSA-N 1 0 235.327 2.346 20 10 BECDRO C[C@@H]([NH2+]CCN(C)C)c1ccc(Cl)cc1O ZINC000841757630 587974401 /nfs/dbraw/zinc/97/44/01/587974401.db2.gz NZPLPVUNUFNGCQ-SECBINFHSA-N 1 0 242.750 2.258 20 10 BECDRO C[C@@]1(O)C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000841891826 587982001 /nfs/dbraw/zinc/98/20/01/587982001.db2.gz PQCQSPVTVFDKGC-LYWQIFSTSA-N 1 0 241.718 2.049 20 10 BECDRO CC[C@H](O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000842210646 588007385 /nfs/dbraw/zinc/00/73/85/588007385.db2.gz DHVIJDQYNQWHEZ-VIFPVBQESA-N 1 0 243.734 2.215 20 10 BECDRO CC[C@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000842209511 588007542 /nfs/dbraw/zinc/00/75/42/588007542.db2.gz AINBQZKEHUJDOF-NFAHFFEMSA-N 1 0 248.370 2.126 20 10 BECDRO C[NH2+][C@@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 ZINC000843048689 588076911 /nfs/dbraw/zinc/07/69/11/588076911.db2.gz PTNHSOGVRCZOPC-CQSZACIVSA-N 1 0 248.370 2.193 20 10 BECDRO CCN(CC)c1ccc(CN(C)CC[NH2+]C)cc1 ZINC000843057346 588077878 /nfs/dbraw/zinc/07/78/78/588077878.db2.gz IGSHQZCHMLVEPQ-UHFFFAOYSA-N 1 0 249.402 2.184 20 10 BECDRO CCC[C@H]1C[NH2+]CCN1Cc1cc(C)ccc1O ZINC000843058625 588078063 /nfs/dbraw/zinc/07/80/63/588078063.db2.gz XNKWEYLEUGMLJE-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cc(O)c(CN2CC[NH2+][C@H](C)[C@@H]2C)cc1C ZINC000843057495 588078145 /nfs/dbraw/zinc/07/81/45/588078145.db2.gz ILMUHFIUCMHQIZ-OLZOCXBDSA-N 1 0 248.370 2.191 20 10 BECDRO Cc1ccc(O)c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000843105050 588081555 /nfs/dbraw/zinc/08/15/55/588081555.db2.gz PAKDFPRZHJDUNF-OKILXGFUSA-N 1 0 246.354 2.027 20 10 BECDRO [NH3+]CCCCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000843127315 588085309 /nfs/dbraw/zinc/08/53/09/588085309.db2.gz NXTYUQDNKSGKGW-UHFFFAOYSA-N 1 0 240.322 2.140 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)CCO)cc1C ZINC000846111882 588257379 /nfs/dbraw/zinc/25/73/79/588257379.db2.gz RUWOKMQGQSPNHA-GFCCVEGCSA-N 1 0 237.343 2.212 20 10 BECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)OC)c1O ZINC000846164116 588258995 /nfs/dbraw/zinc/25/89/95/588258995.db2.gz MSZNLWHESNKRGU-ZJUUUORDSA-N 1 0 239.315 2.086 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)CCF)c1 ZINC000846208813 588259992 /nfs/dbraw/zinc/25/99/92/588259992.db2.gz LUKZLCPXWOOWNH-QWRGUYRKSA-N 1 0 241.306 2.072 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)CCF)c1 ZINC000846208812 588260240 /nfs/dbraw/zinc/26/02/40/588260240.db2.gz LUKZLCPXWOOWNH-MNOVXSKESA-N 1 0 241.306 2.072 20 10 BECDRO CCc1cccc(C[N@H+](C)Cc2cn[nH]c2)c1O ZINC000848886813 588416980 /nfs/dbraw/zinc/41/69/80/588416980.db2.gz IQRWTDMQJAWUBF-UHFFFAOYSA-N 1 0 245.326 2.310 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC000848904392 588418352 /nfs/dbraw/zinc/41/83/52/588418352.db2.gz SFRKEPNZZGNQCI-BXUZGUMPSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC000848904393 588418641 /nfs/dbraw/zinc/41/86/41/588418641.db2.gz SFRKEPNZZGNQCI-FZMZJTMJSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](C)OC)c1O ZINC000848904914 588418682 /nfs/dbraw/zinc/41/86/82/588418682.db2.gz DHBDDJUVNGMVKH-WDEREUQCSA-N 1 0 237.343 2.468 20 10 BECDRO CCc1cccc(C[N@@H+]2CCC[C@H]2CCO)c1O ZINC000848903855 588418871 /nfs/dbraw/zinc/41/88/71/588418871.db2.gz FQYYFEXBRPTRGY-AWEZNQCLSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC000848914936 588419914 /nfs/dbraw/zinc/41/99/14/588419914.db2.gz VNSWKXMDIQQVEV-AWEZNQCLSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC000848914937 588420320 /nfs/dbraw/zinc/42/03/20/588420320.db2.gz VNSWKXMDIQQVEV-CQSZACIVSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[NH+]2CC(O)(C(C)C)C2)c1O ZINC000848915055 588420410 /nfs/dbraw/zinc/42/04/10/588420410.db2.gz RJSCWGVVGOJEPP-UHFFFAOYSA-N 1 0 249.354 2.157 20 10 BECDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000850360532 588540510 /nfs/dbraw/zinc/54/05/10/588540510.db2.gz KQWDEBJAGWPMNV-HDJSIYSDSA-N 1 0 247.338 2.279 20 10 BECDRO CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(C)cc1O ZINC000850579443 588561061 /nfs/dbraw/zinc/56/10/61/588561061.db2.gz XEJRTFUWSOOCKN-NQBHXWOUSA-N 1 0 235.327 2.265 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000850578808 588561586 /nfs/dbraw/zinc/56/15/86/588561586.db2.gz OJKVPOLRVQSTPS-WHOFXGATSA-N 1 0 248.370 2.317 20 10 BECDRO CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000850579224 588561906 /nfs/dbraw/zinc/56/19/06/588561906.db2.gz UCPXQEHFDMSSFC-BPLDGKMQSA-N 1 0 248.370 2.317 20 10 BECDRO CC[C@@H](C)[N@H+](CCO)Cc1cccc(C)c1O ZINC000862387290 589207629 /nfs/dbraw/zinc/20/76/29/589207629.db2.gz JLQFEVZIVINAPQ-GFCCVEGCSA-N 1 0 237.343 2.293 20 10 BECDRO CCc1cccc(CN2CC3(C2)CCCO3)c1O ZINC000862484390 589217097 /nfs/dbraw/zinc/21/70/97/589217097.db2.gz MVOYKJCWAZOAKJ-UHFFFAOYSA-N 1 0 247.338 2.319 20 10 BECDRO C/C=C\C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000862530368 589218077 /nfs/dbraw/zinc/21/80/77/589218077.db2.gz LDMFQSUQUDWRDQ-PLNGDYQASA-N 1 0 237.299 2.075 20 10 BECDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(C)c(C)cc1O ZINC000863481987 589292762 /nfs/dbraw/zinc/29/27/62/589292762.db2.gz OSPFSXSQFDCSCL-UONOGXRCSA-N 1 0 248.370 2.239 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863545808 589297681 /nfs/dbraw/zinc/29/76/81/589297681.db2.gz HRRNOLHBWZJTGP-FRRDWIJNSA-N 1 0 248.370 2.492 20 10 BECDRO Cc1ccc([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)c(O)c1 ZINC000863544936 589297722 /nfs/dbraw/zinc/29/77/22/589297722.db2.gz FMYSYDVWMDTUPA-AGIUHOORSA-N 1 0 248.370 2.492 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863545810 589298025 /nfs/dbraw/zinc/29/80/25/589298025.db2.gz HRRNOLHBWZJTGP-RWMBFGLXSA-N 1 0 248.370 2.492 20 10 BECDRO C[C@@H]([NH3+])CN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000863651174 589306972 /nfs/dbraw/zinc/30/69/72/589306972.db2.gz CJMOJLQJUJFVRY-CFHLNLSMSA-N 1 0 247.386 2.045 20 10 BECDRO CC[C@H]1CCN(C(=[NH2+])NCc2ccccc2O)C1 ZINC000864452781 589365414 /nfs/dbraw/zinc/36/54/14/589365414.db2.gz JEDFEUMHQCFEAK-NSHDSACASA-N 1 0 247.342 2.148 20 10 BECDRO Oc1ccccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865860714 589465745 /nfs/dbraw/zinc/46/57/45/589465745.db2.gz YQRHUKWAAAJBML-KGLIPLIRSA-N 1 0 233.311 2.193 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CO)c(O)c1 ZINC000122021944 589549873 /nfs/dbraw/zinc/54/98/73/589549873.db2.gz YHWGWBLWFRHSBO-NSHDSACASA-N 1 0 237.343 2.370 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CC2)c(O)c1 ZINC000122315233 589578423 /nfs/dbraw/zinc/57/84/23/589578423.db2.gz RXWAAKWCBNGQJK-LLVKDONJSA-N 1 0 235.327 2.124 20 10 BECDRO Oc1cccc(Cl)c1C[NH2+]CC1(O)CCC1 ZINC000123542465 589748628 /nfs/dbraw/zinc/74/86/28/589748628.db2.gz BBRMPUZZFDOYNI-UHFFFAOYSA-N 1 0 241.718 2.050 20 10 BECDRO CC[C@@H](O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000124282687 589973273 /nfs/dbraw/zinc/97/32/73/589973273.db2.gz QNSNLJSGAMDCQX-SECBINFHSA-N 1 0 243.734 2.296 20 10 BECDRO CCCOc1ccc(C[NH2+][C@@H](C)CO)cc1C ZINC000873063136 589982363 /nfs/dbraw/zinc/98/23/63/589982363.db2.gz LIYKPHIGOHKDDK-LBPRGKRZSA-N 1 0 237.343 2.254 20 10 BECDRO Cc1ccc(O)c(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230424 590002184 /nfs/dbraw/zinc/00/21/84/590002184.db2.gz RFGHINZSBXEKTI-LSDHHAIUSA-N 1 0 246.354 2.075 20 10 BECDRO Cc1cccc(C[NH+]2CCN(C(C)C)CC2)c1O ZINC000124527242 590046908 /nfs/dbraw/zinc/04/69/08/590046908.db2.gz CFPWWTRAZRKFLM-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO COC[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000124599543 590060991 /nfs/dbraw/zinc/06/09/91/590060991.db2.gz YMCCWEDACKYHOA-GFCCVEGCSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(C[N@H+](CCO)C2CCCC2)c(O)c1 ZINC000876522858 590207737 /nfs/dbraw/zinc/20/77/37/590207737.db2.gz FCGOQVXLCYIVOA-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO CCCC[N@H+](CCO)Cc1c(C)cccc1O ZINC000876528267 590209291 /nfs/dbraw/zinc/20/92/91/590209291.db2.gz NKWUTOPVQOTSEI-UHFFFAOYSA-N 1 0 237.343 2.295 20 10 BECDRO COC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876554567 590214882 /nfs/dbraw/zinc/21/48/82/590214882.db2.gz OIQHSQBBXBUADN-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(CN2CCC([NH+](C)C)CC2)c(O)c1 ZINC000876595385 590219721 /nfs/dbraw/zinc/21/97/21/590219721.db2.gz FYZWGPDNODXZDW-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c(O)c1 ZINC000876598047 590220490 /nfs/dbraw/zinc/22/04/90/590220490.db2.gz TXCARNIGCULFQG-NWDGAFQWSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1ccc(C[NH+]2CCC([C@H](C)O)CC2)c(O)c1 ZINC000876679404 590229725 /nfs/dbraw/zinc/22/97/25/590229725.db2.gz GHLQCVAJHCGPNX-LBPRGKRZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000876681149 590229994 /nfs/dbraw/zinc/22/99/94/590229994.db2.gz ZKOXFMXXDONKTH-GFCCVEGCSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c(O)c1 ZINC000876693413 590231054 /nfs/dbraw/zinc/23/10/54/590231054.db2.gz DIZUHJCQVOFJFJ-ZDUSSCGKSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)c(O)c1 ZINC000876697503 590231868 /nfs/dbraw/zinc/23/18/68/590231868.db2.gz USFVQBYCMUBLIO-GFCCVEGCSA-N 1 0 237.343 2.292 20 10 BECDRO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c(O)c1 ZINC000876739309 590234755 /nfs/dbraw/zinc/23/47/55/590234755.db2.gz OAHLZAXCTZBZJW-NEPJUHHUSA-N 1 0 235.327 2.310 20 10 BECDRO CCN(CC[NH2+]Cc1ccc(C)cc1O)C1CC1 ZINC000876996488 590266937 /nfs/dbraw/zinc/26/69/37/590266937.db2.gz WIYHEYQPZVSGTR-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1ccc(C[NH2+]CC2(O)CCCC2)c(O)c1 ZINC000877037001 590272942 /nfs/dbraw/zinc/27/29/42/590272942.db2.gz XRFZOWNVYLCGLD-UHFFFAOYSA-N 1 0 235.327 2.095 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@](C)(O)C(C)C)c(O)c1 ZINC000877042884 590273353 /nfs/dbraw/zinc/27/33/53/590273353.db2.gz AVFJMXJHOZJHSW-CQSZACIVSA-N 1 0 237.343 2.197 20 10 BECDRO COC(C)(C)C[NH2+]Cc1ccc(C)cc1O ZINC000877067503 590277292 /nfs/dbraw/zinc/27/72/92/590277292.db2.gz JBHGCPZNGPBPFV-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000877118645 590288258 /nfs/dbraw/zinc/28/82/58/590288258.db2.gz IPSXIUJHXPZWKF-RYUDHWBXSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000877120235 590288946 /nfs/dbraw/zinc/28/89/46/590288946.db2.gz FDSLGBNQXRBDST-HAQNSBGRSA-N 1 0 235.327 2.094 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCCOCC2)c(O)c1 ZINC000877139127 590291911 /nfs/dbraw/zinc/29/19/11/590291911.db2.gz IGBHJINDRWGUME-CYBMUJFWSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH2+]CCN2CC[C@H](C)C2)c(O)c1 ZINC000877154755 590293433 /nfs/dbraw/zinc/29/34/33/590293433.db2.gz YUWNGMTZUAOWTI-ZDUSSCGKSA-N 1 0 248.370 2.132 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC[C@H]1CCOC1 ZINC000877314231 590313145 /nfs/dbraw/zinc/31/31/45/590313145.db2.gz VQXANNCHFISJSA-LBPRGKRZSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc(C[NH2+][C@H](CO)C(C)(C)C)c(O)c1 ZINC000877321031 590315362 /nfs/dbraw/zinc/31/53/62/590315362.db2.gz BIXIKNSCJYHHDW-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(O)c1 ZINC000877322240 590315998 /nfs/dbraw/zinc/31/59/98/590315998.db2.gz ABVCCRAZLRWDKH-CQSZACIVSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1ccc(C[NH2+]CCOC(C)C)c(O)c1 ZINC000877335293 590317581 /nfs/dbraw/zinc/31/75/81/590317581.db2.gz IGDNZAIPOSTOHG-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C1CCC(O)CC1 ZINC000877423568 590325185 /nfs/dbraw/zinc/32/51/85/590325185.db2.gz FDSLGBNQXRBDST-UHFFFAOYSA-N 1 0 235.327 2.094 20 10 BECDRO Cc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c(O)c1 ZINC000877423950 590325611 /nfs/dbraw/zinc/32/56/11/590325611.db2.gz NSEMHCQOJRBEQH-HNNXBMFYSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCO)c(O)c1 ZINC000877435117 590326633 /nfs/dbraw/zinc/32/66/33/590326633.db2.gz OEVJJTDFMAJCLM-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO CC[C@@]1(O)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877440717 590327726 /nfs/dbraw/zinc/32/77/26/590327726.db2.gz IYNIIRWMUJMUMA-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c(O)c1 ZINC000877442707 590329328 /nfs/dbraw/zinc/32/93/28/590329328.db2.gz UMGOPILYNAPGOH-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC23CCOCC3)c(O)c1 ZINC000877479814 590336811 /nfs/dbraw/zinc/33/68/11/590336811.db2.gz YEHZYUFUOYSTBD-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CCC2(CCO2)CC1 ZINC000877501580 590342024 /nfs/dbraw/zinc/34/20/24/590342024.db2.gz QYJJPCDVPHZRPM-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO COCC1([NH2+]Cc2ccc(C)cc2O)CCC1 ZINC000877507819 590343100 /nfs/dbraw/zinc/34/31/00/590343100.db2.gz MJEFVRZGLASZPO-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1nnsc1C[NH2+]Cc1c(C)cccc1O ZINC000877545116 590352513 /nfs/dbraw/zinc/35/25/13/590352513.db2.gz BCLVRFJSGMHPSJ-UHFFFAOYSA-N 1 0 249.339 2.150 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC000877554672 590356858 /nfs/dbraw/zinc/35/68/58/590356858.db2.gz LLIYUOVNPFVFJW-ZDUSSCGKSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCn2ccnc21 ZINC000877557986 590358496 /nfs/dbraw/zinc/35/84/96/590358496.db2.gz ZPSVMTXCNWOLDO-GFCCVEGCSA-N 1 0 243.310 2.132 20 10 BECDRO Cc1ccc(C[N@@H+](C)CC(C)(C)CO)c(O)c1 ZINC000877560914 590359471 /nfs/dbraw/zinc/35/94/71/590359471.db2.gz DOHIGYGXPPDHJQ-UHFFFAOYSA-N 1 0 237.343 2.151 20 10 BECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(C)cccc1O ZINC000877562427 590359872 /nfs/dbraw/zinc/35/98/72/590359872.db2.gz ZVUFAAOPNXCOGQ-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[NH+]2CC3(C2)CCCOC3)c(O)c1 ZINC000877580017 590364230 /nfs/dbraw/zinc/36/42/30/590364230.db2.gz DEKNPHGCGLKOBN-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO COCC[C@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC000877587046 590368023 /nfs/dbraw/zinc/36/80/23/590368023.db2.gz BWDVMPXXWXQUFR-LBPRGKRZSA-N 1 0 237.343 2.463 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000877585676 590368245 /nfs/dbraw/zinc/36/82/45/590368245.db2.gz MGQMCVUVLLWKFL-OCCSQVGLSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000877632295 590377494 /nfs/dbraw/zinc/37/74/94/590377494.db2.gz USSRELKYSAQEAA-KBPBESRZSA-N 1 0 247.338 2.094 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c(O)c1 ZINC000877631083 590377643 /nfs/dbraw/zinc/37/76/43/590377643.db2.gz DZOQSWZMNAYSIR-KBPBESRZSA-N 1 0 247.338 2.094 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000877632296 590378352 /nfs/dbraw/zinc/37/83/52/590378352.db2.gz USSRELKYSAQEAA-KGLIPLIRSA-N 1 0 247.338 2.094 20 10 BECDRO Cc1ccc(C[NH2+]CC2CCC(O)CC2)c(O)c1 ZINC000877636304 590380470 /nfs/dbraw/zinc/38/04/70/590380470.db2.gz SJPXDCNOMWOWCG-UHFFFAOYSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000877649594 590383800 /nfs/dbraw/zinc/38/38/00/590383800.db2.gz BPDUZYCDTZTTHT-PHIMTYICSA-N 1 0 203.285 2.152 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000877646883 590383813 /nfs/dbraw/zinc/38/38/13/590383813.db2.gz MNWQTTKHZAANSZ-YPMHNXCESA-N 1 0 249.354 2.151 20 10 BECDRO COc1ccc(O)c(C[NH2+]CC(C)(C)F)c1 ZINC000877663045 590387895 /nfs/dbraw/zinc/38/78/95/590387895.db2.gz DQSKCCSUAZGKBQ-UHFFFAOYSA-N 1 0 227.279 2.239 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1 ZINC000877681285 590389995 /nfs/dbraw/zinc/38/99/95/590389995.db2.gz FXVMSSRAVDBKDV-DMDPSCGWSA-N 1 0 235.327 2.356 20 10 BECDRO Oc1cccc2c1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC000877703027 590396664 /nfs/dbraw/zinc/39/66/64/590396664.db2.gz OVEZEPZZKFEVRP-NSHDSACASA-N 1 0 233.311 2.134 20 10 BECDRO CC1(C)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000877717801 590400114 /nfs/dbraw/zinc/40/01/14/590400114.db2.gz QUPSENMRQNUAAI-UHFFFAOYSA-N 1 0 209.264 2.373 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c(O)c1 ZINC000877751681 590415887 /nfs/dbraw/zinc/41/58/87/590415887.db2.gz FXMRSZQCZINUBJ-ZDUSSCGKSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)nn1C ZINC000877758037 590418022 /nfs/dbraw/zinc/41/80/22/590418022.db2.gz FWFTVQGRCFKEKA-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c(O)c1 ZINC000877779516 590423105 /nfs/dbraw/zinc/42/31/05/590423105.db2.gz XOEULZBJVHOSOM-OLZOCXBDSA-N 1 0 235.327 2.094 20 10 BECDRO CO[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000878243048 590527897 /nfs/dbraw/zinc/52/78/97/590527897.db2.gz YSZWCHMSWHTZLT-BJHJDKERSA-N 1 0 235.327 2.249 20 10 BECDRO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1ccccc1O ZINC000879648519 590842207 /nfs/dbraw/zinc/84/22/07/590842207.db2.gz RWTBPIRIFNLSNN-RJCSOLBVSA-N 1 0 249.310 2.162 20 10 BECDRO CC(C)[C@H](O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879650262 590843435 /nfs/dbraw/zinc/84/34/35/590843435.db2.gz SKWRPKKTTFVKKB-DGCLKSJQSA-N 1 0 237.343 2.450 20 10 BECDRO Cc1ccc(O)c(CN(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000211556185 591194883 /nfs/dbraw/zinc/19/48/83/591194883.db2.gz HXBZYGBABWARIS-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000132473686 591711388 /nfs/dbraw/zinc/71/13/88/591711388.db2.gz DWKUKKGLTNJGTP-SECBINFHSA-N 1 0 241.718 2.266 20 10 BECDRO COCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000132703433 591731258 /nfs/dbraw/zinc/73/12/58/591731258.db2.gz ZMHLYOQDFJQIDJ-UHFFFAOYSA-N 1 0 229.707 2.124 20 10 BECDRO CC(C)OCC[NH2+][C@H](C)c1ccccc1O ZINC000133882125 591866197 /nfs/dbraw/zinc/86/61/97/591866197.db2.gz HRTFMOHWBCODDF-LLVKDONJSA-N 1 0 223.316 2.468 20 10 BECDRO COCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000134906214 591958388 /nfs/dbraw/zinc/95/83/88/591958388.db2.gz IMLTWZVZMRUTHT-LLVKDONJSA-N 1 0 223.316 2.306 20 10 BECDRO CC[C@@H](CCO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000134987431 591968152 /nfs/dbraw/zinc/96/81/52/591968152.db2.gz BPNXVNFBSHAYSX-ZDUSSCGKSA-N 1 0 237.343 2.254 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1C[C@]12CCOC2)c1ccccc1O ZINC000886310277 592205197 /nfs/dbraw/zinc/20/51/97/592205197.db2.gz IKPMUSSJLXFZMN-HUBLWGQQSA-N 1 0 247.338 2.469 20 10 BECDRO CCOC(=O)/C=C\C[NH2+][C@H](C)c1ccccc1O ZINC000931553677 634587241 /nfs/dbraw/zinc/58/72/41/634587241.db2.gz GIVMPACJTBAQLI-DHHDDZJSSA-N 1 0 249.310 2.162 20 10 BECDRO COCC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000066995946 635401260 /nfs/dbraw/zinc/40/12/60/635401260.db2.gz OGHHGKDDTVUVRF-UHFFFAOYSA-N 1 0 235.327 2.136 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000227376603 635449793 /nfs/dbraw/zinc/44/97/93/635449793.db2.gz CJBUMQKXUXZCJQ-GXTWGEPZSA-N 1 0 248.370 2.273 20 10 BECDRO COC(C)(C)CC[NH2+]Cc1ccccc1O ZINC000231026749 635493835 /nfs/dbraw/zinc/49/38/35/635493835.db2.gz OJAYUDZWMWEXHF-UHFFFAOYSA-N 1 0 223.316 2.297 20 10 BECDRO CC(C)(CN1CCCC1)[NH2+]Cc1ccccc1O ZINC000308616591 631344927 /nfs/dbraw/zinc/34/49/27/631344927.db2.gz YBURNXSTOYWBCS-UHFFFAOYSA-N 1 0 248.370 2.356 20 10 BECDRO CC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000096478582 631651289 /nfs/dbraw/zinc/65/12/89/631651289.db2.gz BGNOLHTUQBIBIT-AWEZNQCLSA-N 1 0 236.359 2.003 20 10 BECDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000096478584 631651589 /nfs/dbraw/zinc/65/15/89/631651589.db2.gz BGNOLHTUQBIBIT-CQSZACIVSA-N 1 0 236.359 2.003 20 10 BECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000179304706 632689866 /nfs/dbraw/zinc/68/98/66/632689866.db2.gz XJESTMOXHROIIZ-UHFFFAOYSA-N 1 0 246.354 2.117 20 10 BECDRO CCn1cc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC000091956592 632708213 /nfs/dbraw/zinc/70/82/13/632708213.db2.gz IHFWCKZWXLRYFQ-UHFFFAOYSA-N 1 0 245.326 2.241 20 10 BECDRO CCSCC[NH2+]Cc1cc(OC)ccc1O ZINC000309195554 632754867 /nfs/dbraw/zinc/75/48/67/632754867.db2.gz JXMVYGORCSSWQC-UHFFFAOYSA-N 1 0 241.356 2.244 20 10 BECDRO CCOc1ccc(C[NH+]2CCCC2)c(O)c1 ZINC000725843757 632788675 /nfs/dbraw/zinc/78/86/75/632788675.db2.gz DHAGSYBQVUSQEH-UHFFFAOYSA-N 1 0 221.300 2.387 20 10 BECDRO COCC1([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000309432378 633065020 /nfs/dbraw/zinc/06/50/20/633065020.db2.gz GMKGNOLVJYZRQE-JTQLQIEISA-N 1 0 221.300 2.222 20 10 BECDRO Cc1cc(C)c(O)c(C[N@H+]2CCOC[C@H]2C)c1 ZINC000163979570 633068221 /nfs/dbraw/zinc/06/82/21/633068221.db2.gz BNTAYWWAJXXNHW-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO CO[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1O ZINC000304662763 635947779 /nfs/dbraw/zinc/94/77/79/635947779.db2.gz WIUSUOJOKBFOJU-NSHDSACASA-N 1 0 223.316 2.167 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC000294209162 633755881 /nfs/dbraw/zinc/75/58/81/633755881.db2.gz YEKMUQPJCBLYBR-CYBMUJFWSA-N 1 0 249.354 2.295 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)CO)c1cc(Cl)ccc1O ZINC000310000766 634061573 /nfs/dbraw/zinc/06/15/73/634061573.db2.gz DSPVJLXYAGOWTA-KWQFWETISA-N 1 0 243.734 2.467 20 10 BECDRO CC[C@@](C)(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310494114 634154217 /nfs/dbraw/zinc/15/42/17/634154217.db2.gz PGXIJKRQUMMQLX-SMDDNHRTSA-N 1 0 235.327 2.130 20 10 BECDRO COc1ccc(N(C)CC(C)(C)[NH3+])cc1F ZINC000258705454 635190244 /nfs/dbraw/zinc/19/02/44/635190244.db2.gz CGBKFDXIBAGQFA-UHFFFAOYSA-N 1 0 226.295 2.008 20 10 BECDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CS1 ZINC000162936029 635203450 /nfs/dbraw/zinc/20/34/50/635203450.db2.gz LLOUFZOOHSVLJM-ONGXEEELSA-N 1 0 223.341 2.376 20 10 BECDRO C[C@H]([NH2+]Cc1nccn1C)c1cc(F)ccc1O ZINC000094618189 635377999 /nfs/dbraw/zinc/37/79/99/635377999.db2.gz YOWCLNGPXMFITM-VIFPVBQESA-N 1 0 249.289 2.116 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C[C@H](C)O1 ZINC000252788098 636774277 /nfs/dbraw/zinc/77/42/77/636774277.db2.gz JMINENGYSVFNSC-PTEHBNRSSA-N 1 0 235.327 2.438 20 10 BECDRO Oc1ccccc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897539068 636787901 /nfs/dbraw/zinc/78/79/01/636787901.db2.gz LYKPNCLKPZQQSN-TZMCWYRMSA-N 1 0 249.354 2.423 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CCn2cccn2)c(O)c1 ZINC000042539113 637277968 /nfs/dbraw/zinc/27/79/68/637277968.db2.gz RFBJBYKQUGVVFS-LBPRGKRZSA-N 1 0 245.326 2.248 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C)C2)c1 ZINC000042545444 637281641 /nfs/dbraw/zinc/28/16/41/637281641.db2.gz IOCJBDOQXNYCHL-NWDGAFQWSA-N 1 0 234.343 2.055 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C)C2)c1 ZINC000042545448 637281706 /nfs/dbraw/zinc/28/17/06/637281706.db2.gz IOCJBDOQXNYCHL-RYUDHWBXSA-N 1 0 234.343 2.055 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C)C2)c1 ZINC000042545446 637281721 /nfs/dbraw/zinc/28/17/21/637281721.db2.gz IOCJBDOQXNYCHL-NEPJUHHUSA-N 1 0 234.343 2.055 20 10 BECDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000911659851 639693282 /nfs/dbraw/zinc/69/32/82/639693282.db2.gz FUOWLYWRGZXKIC-CYBMUJFWSA-N 1 0 247.342 2.080 20 10 BECDRO CSCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000164411100 640480859 /nfs/dbraw/zinc/48/08/59/640480859.db2.gz BUBSFNCWOCLQNZ-UHFFFAOYSA-N 1 0 225.357 2.462 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1O ZINC000224865457 640644763 /nfs/dbraw/zinc/64/47/63/640644763.db2.gz ULGHBMCTHPYYSE-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO OCC1([NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000157501879 640688729 /nfs/dbraw/zinc/68/87/29/640688729.db2.gz CNETUTCRAYPMJN-UHFFFAOYSA-N 1 0 241.718 2.050 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2CN)c1 ZINC000227191394 640817511 /nfs/dbraw/zinc/81/75/11/640817511.db2.gz QGVBZLYWLAAQBM-GXTWGEPZSA-N 1 0 248.370 2.260 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2CN)c1 ZINC000227191389 640817972 /nfs/dbraw/zinc/81/79/72/640817972.db2.gz QGVBZLYWLAAQBM-TZMCWYRMSA-N 1 0 248.370 2.260 20 10 BECDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168795726 640827269 /nfs/dbraw/zinc/82/72/69/640827269.db2.gz YHHRWYPPCYMSFO-GXSJLCMTSA-N 1 0 241.306 2.343 20 10 BECDRO CC[C@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168795886 640827546 /nfs/dbraw/zinc/82/75/46/640827546.db2.gz YHHRWYPPCYMSFO-MWLCHTKSSA-N 1 0 241.306 2.343 20 10 BECDRO Cc1cnc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000061320225 640952781 /nfs/dbraw/zinc/95/27/81/640952781.db2.gz OFJKCLOQKCZGGP-LLVKDONJSA-N 1 0 243.310 2.341 20 10 BECDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000229964516 640998140 /nfs/dbraw/zinc/99/81/40/640998140.db2.gz XMKBIQPBYDDCBZ-GHMZBOCLSA-N 1 0 223.316 2.122 20 10 BECDRO CCO[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000155487317 641574269 /nfs/dbraw/zinc/57/42/69/641574269.db2.gz GJNZFOPKZPUQRZ-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC000158766052 641650212 /nfs/dbraw/zinc/65/02/12/641650212.db2.gz ODXDLTVCMGAJJJ-NFAWXSAZSA-N 1 0 247.338 2.413 20 10 BECDRO Cc1cccc(C[NH2+]C2(CO)CCCCC2)c1O ZINC000158755903 641650541 /nfs/dbraw/zinc/65/05/41/641650541.db2.gz LMSXDWIWKMZTJJ-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1 ZINC000047706996 641658329 /nfs/dbraw/zinc/65/83/29/641658329.db2.gz UEXGCSIJYHSHFJ-AWEZNQCLSA-N 1 0 248.370 2.221 20 10 BECDRO COCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000159948948 641706353 /nfs/dbraw/zinc/70/63/53/641706353.db2.gz KIZYPLFGPSPOSY-UHFFFAOYSA-N 1 0 249.354 2.349 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+]CCF ZINC000308129171 642401503 /nfs/dbraw/zinc/40/15/03/642401503.db2.gz BBPMNSVKJAUWHP-UHFFFAOYSA-N 1 0 203.644 2.105 20 10 BECDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000305855742 642707799 /nfs/dbraw/zinc/70/77/99/642707799.db2.gz BNNZQVHZOFMNKK-BXKDBHETSA-N 1 0 239.290 2.046 20 10 BECDRO C[C@@]1(O)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000180190274 642777573 /nfs/dbraw/zinc/77/75/73/642777573.db2.gz LHNIXFYWJOWYMD-GFCCVEGCSA-N 1 0 241.718 2.002 20 10 BECDRO COc1ccc(O)c([C@H](C)[NH2+]CCSC)c1 ZINC000068994232 642819043 /nfs/dbraw/zinc/81/90/43/642819043.db2.gz UAOHLBSYDPVVAJ-VIFPVBQESA-N 1 0 241.356 2.414 20 10 BECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSC)c1 ZINC000068994236 642819252 /nfs/dbraw/zinc/81/92/52/642819252.db2.gz UAOHLBSYDPVVAJ-SECBINFHSA-N 1 0 241.356 2.414 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CN)c1 ZINC000070175264 642987180 /nfs/dbraw/zinc/98/71/80/642987180.db2.gz QGVBZLYWLAAQBM-OCCSQVGLSA-N 1 0 248.370 2.260 20 10 BECDRO CSCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000070183996 642988597 /nfs/dbraw/zinc/98/85/97/642988597.db2.gz JZFLLGQKDZJZDE-UHFFFAOYSA-N 1 0 224.373 2.205 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000071408647 643142928 /nfs/dbraw/zinc/14/29/28/643142928.db2.gz JMGHIRCKCVHOBA-ZDUSSCGKSA-N 1 0 246.354 2.027 20 10 BECDRO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1O ZINC000184739467 643232377 /nfs/dbraw/zinc/23/23/77/643232377.db2.gz HKHJQFUQIQNHHQ-CQSZACIVSA-N 1 0 248.370 2.164 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000186066907 643434942 /nfs/dbraw/zinc/43/49/42/643434942.db2.gz SDDUINAVLPVMBO-JKOKRWQUSA-N 1 0 235.327 2.265 20 10 BECDRO CSCC[NH2+][C@H](C)c1ccccc1O ZINC000068993760 643437303 /nfs/dbraw/zinc/43/73/03/643437303.db2.gz MMPMHPXWJOGHHI-SECBINFHSA-N 1 0 211.330 2.406 20 10 BECDRO COC[C@H]([NH2+]Cc1ccccc1O)C(C)C ZINC000083398070 643447807 /nfs/dbraw/zinc/44/78/07/643447807.db2.gz DSTUFSQPCJNIFO-LBPRGKRZSA-N 1 0 223.316 2.153 20 10 BECDRO C[N@H+](CC(=O)Nc1ccc(N)cc1)CC(C)(C)C ZINC000045064457 643551162 /nfs/dbraw/zinc/55/11/62/643551162.db2.gz UOKCWQJFOLDAPE-UHFFFAOYSA-N 1 0 249.358 2.185 20 10 BECDRO CCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921734373 643767008 /nfs/dbraw/zinc/76/70/08/643767008.db2.gz VUWPXHRHOQTUSK-CQSZACIVSA-N 1 0 249.354 2.262 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C)[C@@H]2C)cc1C ZINC000922557879 644025054 /nfs/dbraw/zinc/02/50/54/644025054.db2.gz UZXQJJNGFBDINE-OCCSQVGLSA-N 1 0 248.370 2.191 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2COC[C@@H]2C)cc1C ZINC000922641787 644055791 /nfs/dbraw/zinc/05/57/91/644055791.db2.gz RESUFYWODLQUGW-WCQYABFASA-N 1 0 235.327 2.134 20 10 BECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000192597133 644167506 /nfs/dbraw/zinc/16/75/06/644167506.db2.gz BPIPLCXUXVQTQK-LBPRGKRZSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(CN(C)CC(C)(C)[NH3+])ccc1N(C)C ZINC000923386274 644399453 /nfs/dbraw/zinc/39/94/53/644399453.db2.gz MBNGIULXFWYDAM-UHFFFAOYSA-N 1 0 249.402 2.230 20 10 BECDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccccc1O ZINC000087015631 644470354 /nfs/dbraw/zinc/47/03/54/644470354.db2.gz PWFIVTLNCCACQR-NSHDSACASA-N 1 0 235.327 2.348 20 10 BECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](F)C1 ZINC000840104597 644866267 /nfs/dbraw/zinc/86/62/67/644866267.db2.gz UTWYYUWNAOFEAZ-LLVKDONJSA-N 1 0 246.285 2.484 20 10 BECDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000304059196 644868237 /nfs/dbraw/zinc/86/82/37/644868237.db2.gz NTFKQFVDYFSMDW-OAHLLOKOSA-N 1 0 249.354 2.118 20 10 BECDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccccc1O ZINC000252813167 644910497 /nfs/dbraw/zinc/91/04/97/644910497.db2.gz IBENYMQKHMECRB-SRVKXCTJSA-N 1 0 235.327 2.346 20 10 BECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000824636614 645056427 /nfs/dbraw/zinc/05/64/27/645056427.db2.gz RWMSNHSHTJOTLC-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO CC[C@H]([NH2+][C@H](CO)CCF)c1ccccc1O ZINC000846096690 645402358 /nfs/dbraw/zinc/40/23/58/645402358.db2.gz KGLGDVGQADGBNS-JQWIXIFHSA-N 1 0 241.306 2.153 20 10 BECDRO Cc1cccc(O)c1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000877628826 645804574 /nfs/dbraw/zinc/80/45/74/645804574.db2.gz NDECYORMSKBRAP-RYUDHWBXSA-N 1 0 249.354 2.149 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)CO ZINC000924899771 646127959 /nfs/dbraw/zinc/12/79/59/646127959.db2.gz HMXKBUKWXMKBRK-LLVKDONJSA-N 1 0 249.354 2.118 20 10 BECDRO CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1O ZINC000925784333 646481583 /nfs/dbraw/zinc/48/15/83/646481583.db2.gz MIBXABZHSQEBRC-RAIGVLPGSA-N 1 0 234.343 2.041 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](C)CF)c1O ZINC000702602325 711870387 /nfs/dbraw/zinc/87/03/87/711870387.db2.gz CWELVUJKEUZRAF-VIFPVBQESA-N 1 0 211.280 2.402 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2CC23CC3)cc1 ZINC000715324694 712521139 /nfs/dbraw/zinc/52/11/39/712521139.db2.gz YBDBZKCXMNUGNW-ZDUSSCGKSA-N 1 0 216.328 2.395 20 10 BECDRO C[C@@H]1COCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000398907369 710911045 /nfs/dbraw/zinc/91/10/45/710911045.db2.gz GMVIYHYGCVJTRI-SNVBAGLBSA-N 1 0 239.290 2.142 20 10 BECDRO CC[C@H]([NH2+]Cc1c(O)cccc1Cl)[C@H](C)O ZINC000386748879 711035910 /nfs/dbraw/zinc/03/59/10/711035910.db2.gz GAMFWUPUPPDPJU-KWQFWETISA-N 1 0 243.734 2.295 20 10 BECDRO Cc1ccc(O)c(CN[C@@H](C)C(F)F)c1 ZINC000389964850 711100657 /nfs/dbraw/zinc/10/06/57/711100657.db2.gz LAXBANSIJSYMSJ-QMMMGPOBSA-N 1 0 215.243 2.444 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)c(O)c1 ZINC000390671329 711131088 /nfs/dbraw/zinc/13/10/88/711131088.db2.gz SVHRXWJIZXNLQR-JOYOIKCWSA-N 1 0 221.300 2.289 20 10 BECDRO CCC1(C[NH2+][C@@H](C)c2ccccc2O)COC1 ZINC000393980967 711180042 /nfs/dbraw/zinc/18/00/42/711180042.db2.gz CYZKJZRAWLMVMQ-NSHDSACASA-N 1 0 235.327 2.469 20 10 BECDRO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000394072231 711183908 /nfs/dbraw/zinc/18/39/08/711183908.db2.gz TYYRAYNLMDHCCM-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO COc1ccc(C[NH2+]CC2(N(C)C)CC2)cc1C ZINC000397963536 711397951 /nfs/dbraw/zinc/39/79/51/711397951.db2.gz IZCPXHOVMRDXRB-UHFFFAOYSA-N 1 0 248.370 2.187 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CC2)c(O)c1 ZINC000397976558 711398085 /nfs/dbraw/zinc/39/80/85/711398085.db2.gz PDQYITPNBWVTDM-GFCCVEGCSA-N 1 0 248.370 2.445 20 10 BECDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccccc1O ZINC000397990050 711399214 /nfs/dbraw/zinc/39/92/14/711399214.db2.gz NYFLXATZZMGLQL-NSHDSACASA-N 1 0 234.343 2.137 20 10 BECDRO Cc1cccc(C[NH2+]CCCOC(F)F)c1O ZINC000398216614 711405664 /nfs/dbraw/zinc/40/56/64/711405664.db2.gz YCEZMRAIKPFKNU-UHFFFAOYSA-N 1 0 245.269 2.420 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@](C)(CO)C(C)C)c1 ZINC000398487165 711411235 /nfs/dbraw/zinc/41/12/35/711411235.db2.gz BWFUWLRSRHFXRN-AWEZNQCLSA-N 1 0 237.343 2.197 20 10 BECDRO C[C@H]1COCCC[N@@H+]1Cc1ccccc1O ZINC000398870607 711416312 /nfs/dbraw/zinc/41/63/12/711416312.db2.gz PHBVPSWCFLKYAK-NSHDSACASA-N 1 0 221.300 2.003 20 10 BECDRO COC[C@H](C[NH2+]Cc1ccccc1O)C(C)C ZINC000721985909 710695470 /nfs/dbraw/zinc/69/54/70/710695470.db2.gz LSAUQBYSDKGOEN-ZDUSSCGKSA-N 1 0 237.343 2.400 20 10 BECDRO C/C=C\C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000384930038 711000024 /nfs/dbraw/zinc/00/00/24/711000024.db2.gz SHQIFQITOBNITQ-IHWYPQMZSA-N 1 0 203.285 2.287 20 10 BECDRO Cc1cccc(C[NH2+]C[C@]2(C)CCOC2)c1O ZINC000397133541 711377660 /nfs/dbraw/zinc/37/76/60/711377660.db2.gz XKXGSNGOJIFADA-AWEZNQCLSA-N 1 0 235.327 2.217 20 10 BECDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000397125263 711378289 /nfs/dbraw/zinc/37/82/89/711378289.db2.gz AYXPGEFRRJEQBH-OAHLLOKOSA-N 1 0 247.338 2.138 20 10 BECDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccccc1O ZINC000397132571 711378310 /nfs/dbraw/zinc/37/83/10/711378310.db2.gz WXLKLJRNMKUQHK-RISCZKNCSA-N 1 0 235.327 2.469 20 10 BECDRO C[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOC1 ZINC000397160228 711378507 /nfs/dbraw/zinc/37/85/07/711378507.db2.gz SNQYIZVQNCCYFG-WFASDCNBSA-N 1 0 247.338 2.396 20 10 BECDRO C[C@H]([NH2+]CC1=CCOCC1)c1ccccc1O ZINC000397727415 711390072 /nfs/dbraw/zinc/39/00/72/711390072.db2.gz OFKVCNRGRIDKDI-NSHDSACASA-N 1 0 233.311 2.390 20 10 BECDRO C[C@@H]([NH2+]CC1=CCOCC1)c1ccccc1O ZINC000397727413 711390100 /nfs/dbraw/zinc/39/01/00/711390100.db2.gz OFKVCNRGRIDKDI-LLVKDONJSA-N 1 0 233.311 2.390 20 10 BECDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CCO1 ZINC000721437581 711476310 /nfs/dbraw/zinc/47/63/10/711476310.db2.gz NLAHGSRKXRGUAH-DGCLKSJQSA-N 1 0 235.327 2.392 20 10 BECDRO Cc1cn(C)nc1C[NH2+][C@@H](C)c1ccccc1O ZINC000723486697 711512867 /nfs/dbraw/zinc/51/28/67/711512867.db2.gz HAFVRESMRNZJHV-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccccc1O ZINC000313305816 711717276 /nfs/dbraw/zinc/71/72/76/711717276.db2.gz SJEFMCQEYRXQGS-LLVKDONJSA-N 1 0 245.326 2.019 20 10 BECDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H](C)O ZINC000386961672 711763874 /nfs/dbraw/zinc/76/38/74/711763874.db2.gz ZGEIWANATVCEFG-DLOVCJGASA-N 1 0 235.327 2.129 20 10 BECDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000228130965 711833669 /nfs/dbraw/zinc/83/36/69/711833669.db2.gz YOJIOLSDIYRMDO-LBPRGKRZSA-N 1 0 248.370 2.051 20 10 BECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000228406594 711834713 /nfs/dbraw/zinc/83/47/13/711834713.db2.gz JDAUOPCWOJTVMM-CHWSQXEVSA-N 1 0 235.327 2.439 20 10 BECDRO CCc1cccc(C[NH2+]CCOCCF)c1O ZINC000702602328 711870659 /nfs/dbraw/zinc/87/06/59/711870659.db2.gz GVGJPKYRCBJDBH-UHFFFAOYSA-N 1 0 241.306 2.030 20 10 BECDRO COCC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000921048631 711882209 /nfs/dbraw/zinc/88/22/09/711882209.db2.gz PPKDPDDASIWPQU-UHFFFAOYSA-N 1 0 246.310 2.019 20 10 BECDRO C[C@@H](CCNCc1ccc2c(c1)CCO2)[NH+](C)C ZINC000700521775 711996482 /nfs/dbraw/zinc/99/64/82/711996482.db2.gz BJPYNICNHVHFNJ-LBPRGKRZSA-N 1 0 248.370 2.051 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000700640560 712001302 /nfs/dbraw/zinc/00/13/02/712001302.db2.gz OJGTULFRMMYFCY-OLZOCXBDSA-N 1 0 233.311 2.003 20 10 BECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCCF ZINC000700969851 712010813 /nfs/dbraw/zinc/01/08/13/712010813.db2.gz QLZSRIVWTZAPGO-UHFFFAOYSA-N 1 0 222.307 2.258 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000701075224 712013725 /nfs/dbraw/zinc/01/37/25/712013725.db2.gz NHHIBDMJAQNISH-UKRRQHHQSA-N 1 0 247.338 2.358 20 10 BECDRO COc1ccc(O)c(C[NH+]2CCC(F)CC2)c1 ZINC000701659136 712027267 /nfs/dbraw/zinc/02/72/67/712027267.db2.gz RZIBNQDLQCPDOW-UHFFFAOYSA-N 1 0 239.290 2.335 20 10 BECDRO CC1(C)C[C@]1(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000702021608 712036593 /nfs/dbraw/zinc/03/65/93/712036593.db2.gz AITHBEBHUDYKRC-AWEZNQCLSA-N 1 0 249.310 2.399 20 10 BECDRO COc1ccc(O)c(C[NH2+]CC[C@H](C)F)c1 ZINC000702619156 712056642 /nfs/dbraw/zinc/05/66/42/712056642.db2.gz DZLBTFHUVOBULD-VIFPVBQESA-N 1 0 227.279 2.239 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CCOCCF)c(O)c1 ZINC000702638354 712057798 /nfs/dbraw/zinc/05/77/98/712057798.db2.gz LRTZBMBCHCJPBY-LLVKDONJSA-N 1 0 241.306 2.337 20 10 BECDRO C[C@@H]([NH2+]CCOCCF)c1cc(F)ccc1O ZINC000702653827 712058719 /nfs/dbraw/zinc/05/87/19/712058719.db2.gz IWIMAPINLFNWFZ-SECBINFHSA-N 1 0 245.269 2.168 20 10 BECDRO Oc1ccccc1C[NH2+]Cc1ccc(F)cn1 ZINC000703430420 712076381 /nfs/dbraw/zinc/07/63/81/712076381.db2.gz IJMYCDXFLDZLLP-UHFFFAOYSA-N 1 0 232.258 2.216 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+]C1CSC1 ZINC000706437412 712146783 /nfs/dbraw/zinc/14/67/83/712146783.db2.gz DPWKWTPMOWIJAY-UHFFFAOYSA-N 1 0 229.732 2.251 20 10 BECDRO C[C@@H]1[N@H+](Cc2ccccc2O)CCOC1(C)C ZINC000707691214 712176278 /nfs/dbraw/zinc/17/62/78/712176278.db2.gz PFRDICVPVFRBER-NSHDSACASA-N 1 0 235.327 2.392 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cccc(C)c2O)C1 ZINC000708690745 712196824 /nfs/dbraw/zinc/19/68/24/712196824.db2.gz ODZTYJUTFWJOOZ-BJHJDKERSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1cccc(C[NH2+]CCOC2CCC2)c1O ZINC000709808238 712228497 /nfs/dbraw/zinc/22/84/97/712228497.db2.gz PUOYMYUITYVPFF-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711497349 712306952 /nfs/dbraw/zinc/30/69/52/712306952.db2.gz LWRUYKCSBNRBDB-SNVBAGLBSA-N 1 0 209.264 2.184 20 10 BECDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCOC1 ZINC000390622219 712421857 /nfs/dbraw/zinc/42/18/57/712421857.db2.gz GCMLDAILGDROJP-GFCCVEGCSA-N 1 0 221.300 2.003 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN2C)c1 ZINC000712586383 712434579 /nfs/dbraw/zinc/43/45/79/712434579.db2.gz LSRLMTYPMSBVQD-VXGBXAGGSA-N 1 0 234.343 2.055 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN2C)c1 ZINC000712586380 712434956 /nfs/dbraw/zinc/43/49/56/712434956.db2.gz LSRLMTYPMSBVQD-NWDGAFQWSA-N 1 0 234.343 2.055 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(N(C)C)cc1 ZINC000712529087 712441741 /nfs/dbraw/zinc/44/17/41/712441741.db2.gz MKGKUFBDPKKBAE-IUODEOHRSA-N 1 0 247.386 2.107 20 10 BECDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000712561565 712445979 /nfs/dbraw/zinc/44/59/79/712445979.db2.gz CZBVVZGBDGADGH-NEPJUHHUSA-N 1 0 234.343 2.137 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000714445103 712489586 /nfs/dbraw/zinc/48/95/86/712489586.db2.gz ZUVQNUZFRTYXPW-SDDRHHMPSA-N 1 0 235.327 2.468 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000714449267 712489773 /nfs/dbraw/zinc/48/97/73/712489773.db2.gz NJUFNGDZFABTLC-OKILXGFUSA-N 1 0 248.370 2.267 20 10 BECDRO Oc1ccccc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000036996577 712528892 /nfs/dbraw/zinc/52/88/92/712528892.db2.gz AWHVUWOKNHGRFW-UONOGXRCSA-N 1 0 246.354 2.109 20 10 BECDRO COCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037186346 712553103 /nfs/dbraw/zinc/55/31/03/712553103.db2.gz HIYDPTHDTIQFIY-LLVKDONJSA-N 1 0 222.332 2.050 20 10 BECDRO Cc1ccc(O)c(C[N@H+](C)CCCF)c1 ZINC000716630362 712568207 /nfs/dbraw/zinc/56/82/07/712568207.db2.gz RTSSHNPCLLYYBM-UHFFFAOYSA-N 1 0 211.280 2.492 20 10 BECDRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccccc1O ZINC000716714027 712570700 /nfs/dbraw/zinc/57/07/00/712570700.db2.gz SJFNXCVGVLRRQR-KWQFWETISA-N 1 0 245.269 2.059 20 10 BECDRO CCC[C@@H](CCO)[NH2+]Cc1cccc(C)c1O ZINC000716803015 712575509 /nfs/dbraw/zinc/57/55/09/712575509.db2.gz RQWHWSXSJUHDBL-ZDUSSCGKSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716886566 712580525 /nfs/dbraw/zinc/58/05/25/712580525.db2.gz BCCOOVYOFLTNDC-SMDDNHRTSA-N 1 0 249.354 2.261 20 10 BECDRO CCN(CC)c1ccc(C[NH2+]C/C=C/CO)cc1 ZINC000717571729 712660707 /nfs/dbraw/zinc/66/07/07/712660707.db2.gz XYDTYBFWNPXRPU-AATRIKPKSA-N 1 0 248.370 2.171 20 10 BECDRO OC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCC1 ZINC000717617513 712662791 /nfs/dbraw/zinc/66/27/91/712662791.db2.gz ZSVPGEGCCYPXSB-CHWSQXEVSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccccc1O ZINC000717825471 712682132 /nfs/dbraw/zinc/68/21/32/712682132.db2.gz PJDLZUCABYPQNO-IUCAKERBSA-N 1 0 245.269 2.059 20 10 BECDRO C[C@H](C[NH2+]Cc1ccccc1O)N1CCCCC1 ZINC000038028365 712799302 /nfs/dbraw/zinc/79/93/02/712799302.db2.gz MDZLYNJZPCFBQH-CYBMUJFWSA-N 1 0 248.370 2.356 20 10 BECDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000380240613 712843367 /nfs/dbraw/zinc/84/33/67/712843367.db2.gz NDUGCIUPLNPXRR-JQWIXIFHSA-N 1 0 223.341 2.376 20 10 BECDRO CC[C@H](C)[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203878979 966805227 /nfs/dbraw/zinc/80/52/27/966805227.db2.gz YWHKSRDWIKIADC-VIFPVBQESA-N 1 0 209.289 2.328 20 10 BECDRO C[C@H](CC1CC1)[NH2+]Cc1ccc(O)c(O)c1 ZINC000069664103 1165903972 /nfs/dbraw/zinc/90/39/72/1165903972.db2.gz IQIIXXJRACOXMZ-SECBINFHSA-N 1 0 221.300 2.376 20 10 BECDRO CCCC[C@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001252118820 968601779 /nfs/dbraw/zinc/60/17/79/968601779.db2.gz LXSDGFPEUQHTNQ-ZDUSSCGKSA-N 1 0 237.343 2.341 20 10 BECDRO COc1cccc(C[NH2+]C/C=C\C2CC2)c1O ZINC000379156717 1166665559 /nfs/dbraw/zinc/66/55/59/1166665559.db2.gz FLROQTHCRCGASB-ARJAWSKDSA-N 1 0 233.311 2.457 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2ccc(N)cc2)[C@@H](C)C1 ZINC000310035762 1167341702 /nfs/dbraw/zinc/34/17/02/1167341702.db2.gz KTYUTTRYVXYUMF-SMDDNHRTSA-N 1 0 234.343 2.268 20 10 BECDRO CO[C@H]1CC[N@H+](Cc2ccc(N)cc2)[C@H](C)C1 ZINC000310035761 1167342182 /nfs/dbraw/zinc/34/21/82/1167342182.db2.gz KTYUTTRYVXYUMF-RISCZKNCSA-N 1 0 234.343 2.268 20 10 BECDRO C[C@@H]1CC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232258621 977967040 /nfs/dbraw/zinc/96/70/40/977967040.db2.gz BESJALAGDPXFGO-SSDOTTSWSA-N 1 0 227.691 2.345 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC2(CCO)CC2)cc1 ZINC000157329553 1167646482 /nfs/dbraw/zinc/64/64/82/1167646482.db2.gz YXCPWTNEEAEEAI-UHFFFAOYSA-N 1 0 248.370 2.005 20 10 BECDRO C[C@H]1CC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233332301 978567658 /nfs/dbraw/zinc/56/76/58/978567658.db2.gz GOZDCGKYYCSUFS-ZETCQYMHSA-N 1 0 213.227 2.265 20 10 BECDRO C[N@H+](CCO)Cc1ccc(C(C)(C)C)cc1O ZINC001236256782 979474383 /nfs/dbraw/zinc/47/43/83/979474383.db2.gz RCCSMJIMJQCHRL-UHFFFAOYSA-N 1 0 237.343 2.114 20 10 BECDRO Cc1cc(N(C)C)ccc1C1=CC[NH2+]CC1 ZINC001240470076 981407144 /nfs/dbraw/zinc/40/71/44/981407144.db2.gz UOSNRRBONKLYIW-UHFFFAOYSA-N 1 0 216.328 2.438 20 10 BECDRO CC[C@@H]1COCCN1Cc1cccc(F)c1O ZINC000160200833 982516955 /nfs/dbraw/zinc/51/69/55/982516955.db2.gz LXLUTTYAVBHROC-LLVKDONJSA-N 1 0 239.290 2.142 20 10 BECDRO Oc1ccc(C[NH+]2CCCCCC2)cc1O ZINC000258125773 1168935268 /nfs/dbraw/zinc/93/52/68/1168935268.db2.gz NAKIRXLHQVMNFR-UHFFFAOYSA-N 1 0 221.300 2.474 20 10 BECDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000304223325 1169201739 /nfs/dbraw/zinc/20/17/39/1169201739.db2.gz FSEDLPQRHMXMPK-HNNXBMFYSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CO1 ZINC000402241368 970776615 /nfs/dbraw/zinc/77/66/15/970776615.db2.gz YBWZPHJCTHZASL-BDAKNGLRSA-N 1 0 241.718 2.313 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](CO)CC[C@H]2C)c1 ZINC000305740646 970787565 /nfs/dbraw/zinc/78/75/65/970787565.db2.gz CYOORYOUXQCRMA-CHWSQXEVSA-N 1 0 249.354 2.293 20 10 BECDRO C[N@H+](CCCn1cccn1)Cc1ccccc1O ZINC001208079884 1169502163 /nfs/dbraw/zinc/50/21/63/1169502163.db2.gz YBZODGHVAPYIIT-UHFFFAOYSA-N 1 0 245.326 2.111 20 10 BECDRO CNc1cc(Nc2ccc(N)cc2)cc[nH+]1 ZINC001216335334 971050634 /nfs/dbraw/zinc/05/06/34/971050634.db2.gz PPRJHZYOVRMFDM-UHFFFAOYSA-N 1 0 214.272 2.449 20 10 BECDRO Oc1ccc(CC[NH2+]C2CCCC2)cc1O ZINC001257342719 971250354 /nfs/dbraw/zinc/25/03/54/971250354.db2.gz MSHLGBPOTVBQDW-UHFFFAOYSA-N 1 0 221.300 2.173 20 10 BECDRO C[C@@H]1OC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1C ZINC000405718486 971298524 /nfs/dbraw/zinc/29/85/24/971298524.db2.gz CYJJWFTWYSBZIX-SUNKGSAMSA-N 1 0 247.338 2.135 20 10 BECDRO CC1(C)C[NH2+]CC[C@@H]1OCc1ccc(N)cc1 ZINC001217878583 971471449 /nfs/dbraw/zinc/47/14/49/971471449.db2.gz YBPYFQQXZJKOEY-ZDUSSCGKSA-N 1 0 234.343 2.174 20 10 BECDRO CCN1CCc2cc(O[C@H]3C[C@@H]([NH2+]C)C3)ccc21 ZINC001217956841 971544166 /nfs/dbraw/zinc/54/41/66/971544166.db2.gz GGGLLDRSZCJVQB-XBXGTLAGSA-N 1 0 246.354 2.198 20 10 BECDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(N)cc1 ZINC001217988583 971561847 /nfs/dbraw/zinc/56/18/47/971561847.db2.gz QNEQUMFKLZQOEW-GXFFZTMASA-N 1 0 220.316 2.036 20 10 BECDRO Nc1ccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001218092811 971596987 /nfs/dbraw/zinc/59/69/87/971596987.db2.gz RXYSHBRHMMMBFB-KBPBESRZSA-N 1 0 232.327 2.180 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@H]1COC(C)(C)C1 ZINC000396497433 956886157 /nfs/dbraw/zinc/88/61/57/956886157.db2.gz HJTZRQBSXQVGBR-GFCCVEGCSA-N 1 0 235.327 2.392 20 10 BECDRO CC[N@H+](CCCOC)Cc1ccccc1O ZINC001209053807 957306768 /nfs/dbraw/zinc/30/67/68/957306768.db2.gz PJFYMAVQJHZIQQ-UHFFFAOYSA-N 1 0 223.316 2.251 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000828014174 972265236 /nfs/dbraw/zinc/26/52/36/972265236.db2.gz WISHCYMJTJHNMT-UHFFFAOYSA-N 1 0 243.310 2.064 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000693184926 957840539 /nfs/dbraw/zinc/84/05/39/957840539.db2.gz PVLKYCNQGOESQM-BXUZGUMPSA-N 1 0 233.311 2.433 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001140623046 959217064 /nfs/dbraw/zinc/21/70/64/959217064.db2.gz KSWXUKQYBMZXDE-HNNXBMFYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000690788540 959809837 /nfs/dbraw/zinc/80/98/37/959809837.db2.gz FYXDOFHQKWXOGN-TZMCWYRMSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000690788532 959812004 /nfs/dbraw/zinc/81/20/04/959812004.db2.gz FYXDOFHQKWXOGN-GXTWGEPZSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c1 ZINC001140617699 960462122 /nfs/dbraw/zinc/46/21/22/960462122.db2.gz YBKXZAIVSRCHDS-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c1 ZINC001140619364 960462361 /nfs/dbraw/zinc/46/23/61/960462361.db2.gz BVTRCICTEVFFHX-DOMZBBRYSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c1 ZINC001140617161 960462490 /nfs/dbraw/zinc/46/24/90/960462490.db2.gz HWINGZXDDLXFEV-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c1 ZINC001140623378 960464434 /nfs/dbraw/zinc/46/44/34/960464434.db2.gz OZPODOWNJDZUNX-WCQYABFASA-N 1 0 235.327 2.046 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H](O)C2)c1 ZINC001140619787 960464813 /nfs/dbraw/zinc/46/48/13/960464813.db2.gz ORXWHOWPXIONHM-ZDUSSCGKSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001140623150 960464898 /nfs/dbraw/zinc/46/48/98/960464898.db2.gz HDBSEXGIUWIUQT-CQSZACIVSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)C[C@H]2C)c1 ZINC001140623379 960467158 /nfs/dbraw/zinc/46/71/58/960467158.db2.gz OZPODOWNJDZUNX-YPMHNXCESA-N 1 0 235.327 2.046 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCOC3(CC3)C2)c1 ZINC001140623647 960468138 /nfs/dbraw/zinc/46/81/38/960468138.db2.gz NPLAPVWJVHVNLR-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1c(O)ccc(C[N@H+](C)Cc2ccno2)c1O ZINC001140747959 960552295 /nfs/dbraw/zinc/55/22/95/960552295.db2.gz PHHKGIQXLWSEJG-UHFFFAOYSA-N 1 0 248.282 2.026 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001140947842 960747247 /nfs/dbraw/zinc/74/72/47/960747247.db2.gz HWGKWWKANHMQNY-AVGNSLFASA-N 1 0 235.302 2.490 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H](CO)CC[C@H]2C)c(O)c1 ZINC001140948118 960749711 /nfs/dbraw/zinc/74/97/11/960749711.db2.gz UFCIKYILMHABIK-CHWSQXEVSA-N 1 0 249.354 2.293 20 10 BECDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001140948150 960750479 /nfs/dbraw/zinc/75/04/79/960750479.db2.gz VTWAVPJLZISRNU-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2C)c(O)c1 ZINC001140950988 960760667 /nfs/dbraw/zinc/76/06/67/960760667.db2.gz RWZPTAAQGVIMHV-YPMHNXCESA-N 1 0 235.327 2.046 20 10 BECDRO COc1cc(O)c(C[NH+]2CCCC2)c(OC)c1 ZINC001141032202 960825288 /nfs/dbraw/zinc/82/52/88/960825288.db2.gz VKWVTEHODXMHDN-UHFFFAOYSA-N 1 0 237.299 2.005 20 10 BECDRO CC[NH+](CC)Cc1ccc2c(c1)OCCN2C ZINC001141138895 960886758 /nfs/dbraw/zinc/88/67/58/960886758.db2.gz CDCGSFKZZCJPJF-UHFFFAOYSA-N 1 0 234.343 2.357 20 10 BECDRO C[C@H]1CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141443 960887485 /nfs/dbraw/zinc/88/74/85/960887485.db2.gz YRPVSPYZWGHXEB-NSHDSACASA-N 1 0 232.327 2.109 20 10 BECDRO C[N@H+](Cc1ccncc1)Cc1cc(O)ccc1O ZINC001141155931 960890368 /nfs/dbraw/zinc/89/03/68/960890368.db2.gz AZIOXQULIKNVOC-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO C[N@H+](Cc1ccccn1)Cc1cc(O)ccc1O ZINC001141155783 960892186 /nfs/dbraw/zinc/89/21/86/960892186.db2.gz JPADQHUIXPYLGP-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO CCC[N@H+](CC)Cc1cc(O)ccc1O ZINC001141155693 960892656 /nfs/dbraw/zinc/89/26/56/960892656.db2.gz FWLJDOUTVHSHHH-UHFFFAOYSA-N 1 0 209.289 2.330 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001141156796 960894093 /nfs/dbraw/zinc/89/40/93/960894093.db2.gz VGVMCJGWKMSFNT-NSHDSACASA-N 1 0 239.290 2.422 20 10 BECDRO C[N@H+](CCC1CC1)Cc1cc(O)ccc1O ZINC001141161176 960895036 /nfs/dbraw/zinc/89/50/36/960895036.db2.gz NYOFNZNEYZLMFF-UHFFFAOYSA-N 1 0 221.300 2.330 20 10 BECDRO C[N@@H+](Cc1cc(O)ccc1O)CC1CCC1 ZINC001141159484 960895358 /nfs/dbraw/zinc/89/53/58/960895358.db2.gz HIYVSDFNWIWMQU-UHFFFAOYSA-N 1 0 221.300 2.330 20 10 BECDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)C2(CC2)C1 ZINC001141162352 960899670 /nfs/dbraw/zinc/89/96/70/960899670.db2.gz QPCPPKOLHVAXLP-JTQLQIEISA-N 1 0 233.311 2.472 20 10 BECDRO C[N@H+](CCC1(O)CCC1)Cc1ccccc1O ZINC000839515880 961132661 /nfs/dbraw/zinc/13/26/61/961132661.db2.gz DJHPITJQKPCAPW-UHFFFAOYSA-N 1 0 235.327 2.129 20 10 BECDRO CC[N@H+](Cc1ccccc1O)CC1(C)COC1 ZINC001207801415 961812425 /nfs/dbraw/zinc/81/24/25/961812425.db2.gz LJNBYKDVAORNTM-UHFFFAOYSA-N 1 0 235.327 2.251 20 10 BECDRO CC[C@H]1C[N@H+](Cc2ccc(N)cc2)CCCO1 ZINC000302288126 962202487 /nfs/dbraw/zinc/20/24/87/962202487.db2.gz CTSLUIGZZJNHTI-AWEZNQCLSA-N 1 0 234.343 2.270 20 10 BECDRO CC(C)(C)c1cccc(CN2CC(C)([NH3+])C2)c1O ZINC001204980107 963323981 /nfs/dbraw/zinc/32/39/81/963323981.db2.gz ZHVREVDTGMVWBU-UHFFFAOYSA-N 1 0 248.370 2.223 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000689887734 963880896 /nfs/dbraw/zinc/88/08/96/963880896.db2.gz VIADRDFTCMFPKP-LLVKDONJSA-N 1 0 209.264 2.326 20 10 BECDRO Nc1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001161700198 964699926 /nfs/dbraw/zinc/69/99/26/964699926.db2.gz PKYYWKWNYHBGCL-CHWSQXEVSA-N 1 0 220.316 2.055 20 10 BECDRO CNc1ccccc1NCCCC[NH+](C)C ZINC001161736767 964723258 /nfs/dbraw/zinc/72/32/58/964723258.db2.gz SZLRQJSUDYXGDE-UHFFFAOYSA-N 1 0 221.348 2.482 20 10 BECDRO CNc1ccccc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162559005 965049299 /nfs/dbraw/zinc/04/92/99/965049299.db2.gz IHTFSWDLXPHCSI-GHMZBOCLSA-N 1 0 219.332 2.138 20 10 BECDRO COc1ccc(C[NH2+][C@H](C)C2(CO)CC2)cc1C ZINC000696017273 965219945 /nfs/dbraw/zinc/21/99/45/965219945.db2.gz FQHLJEDOLIOLFD-GFCCVEGCSA-N 1 0 249.354 2.254 20 10 BECDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000699837640 966128273 /nfs/dbraw/zinc/12/82/73/966128273.db2.gz OUTNMJXJBMIRIW-XUJVJEKNSA-N 1 0 248.370 2.438 20 10 BECDRO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001203549930 966670990 /nfs/dbraw/zinc/67/09/90/966670990.db2.gz DCAQOXXAFYGCFI-SDDRHHMPSA-N 1 0 221.275 2.182 20 10 BECDRO CC1(C)C[N@H+](Cc2ccccc2O)CCC1=O ZINC001203556604 966692859 /nfs/dbraw/zinc/69/28/59/966692859.db2.gz VFBKXRSBMWLBML-UHFFFAOYSA-N 1 0 233.311 2.193 20 10 BECDRO COc1cccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001203599167 966699625 /nfs/dbraw/zinc/69/96/25/966699625.db2.gz BBRSTBAEEIMHPS-PWSUYJOCSA-N 1 0 233.311 2.385 20 10 BECDRO COc1cccc(C[N@@H+]2CCC3(CC3)C2)c1O ZINC001203589976 966702628 /nfs/dbraw/zinc/70/26/28/966702628.db2.gz PJSRXAWWMGQWIY-UHFFFAOYSA-N 1 0 233.311 2.387 20 10 BECDRO Oc1ccc(C[NH+]2CC3(C2)CCCC3)cc1O ZINC001203875531 966804770 /nfs/dbraw/zinc/80/47/70/966804770.db2.gz PHWQSJRVUQCTNW-UHFFFAOYSA-N 1 0 233.311 2.474 20 10 BECDRO CC(C)C[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203874421 966806120 /nfs/dbraw/zinc/80/61/20/966806120.db2.gz XENJVLUQHLGJTC-UHFFFAOYSA-N 1 0 209.289 2.186 20 10 BECDRO CCCC[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203874430 966806396 /nfs/dbraw/zinc/80/63/96/966806396.db2.gz XNRUJHXKJNDMCX-UHFFFAOYSA-N 1 0 209.289 2.330 20 10 BECDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203880319 966810306 /nfs/dbraw/zinc/81/03/06/966810306.db2.gz NYAGKVRISWXWDI-LLVKDONJSA-N 1 0 221.300 2.472 20 10 BECDRO Oc1cccc2c1C[N@H+](Cc1ccc[nH]1)CC2 ZINC001204011577 966851106 /nfs/dbraw/zinc/85/11/06/966851106.db2.gz UKDLXSMPFKULQX-UHFFFAOYSA-N 1 0 228.295 2.279 20 10 BECDRO C[C@@]1(F)CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276794 966954615 /nfs/dbraw/zinc/95/46/15/966954615.db2.gz RNAFAZRGUWSILS-CYBMUJFWSA-N 1 0 239.290 2.422 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC001204277372 966958670 /nfs/dbraw/zinc/95/86/70/966958670.db2.gz BPGINAODCMONHF-JOYOIKCWSA-N 1 0 219.284 2.082 20 10 BECDRO C[C@]1(CF)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276360 966961532 /nfs/dbraw/zinc/96/15/32/966961532.db2.gz KWQXLOXXYQMLQL-CYBMUJFWSA-N 1 0 239.290 2.279 20 10 BECDRO CC(C)c1ccc(CN2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204802032 967177865 /nfs/dbraw/zinc/17/78/65/967177865.db2.gz ZOGUHMIPMFHYRS-HNNXBMFYSA-N 1 0 248.370 2.439 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CO1 ZINC000922213419 967606600 /nfs/dbraw/zinc/60/66/00/967606600.db2.gz AMSMLYYROGUFOX-RISCZKNCSA-N 1 0 247.338 2.279 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CC[C@H]1C[NH3+] ZINC001205601923 967720521 /nfs/dbraw/zinc/72/05/21/967720521.db2.gz GSMDJDCNXISPPM-OLZOCXBDSA-N 1 0 248.370 2.199 20 10 BECDRO CC(C)c1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075279 968045437 /nfs/dbraw/zinc/04/54/37/968045437.db2.gz CUFLADHLCVPUEE-BXUZGUMPSA-N 1 0 248.370 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BECDRO CC(C)[NH+](Cc1c(O)cc(O)cc1O)C(C)C ZINC001144500088 972848101 /nfs/dbraw/zinc/84/81/01/972848101.db2.gz OQWRIJNBAJQOIL-UHFFFAOYSA-N 1 0 239.315 2.422 20 10 BECDRO C[N@H+](CCC1CC1)Cc1c(O)cc(O)cc1O ZINC001144515621 972857958 /nfs/dbraw/zinc/85/79/58/972857958.db2.gz STXNTONLKASITC-UHFFFAOYSA-N 1 0 237.299 2.035 20 10 BECDRO CC[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516392 972858928 /nfs/dbraw/zinc/85/89/28/972858928.db2.gz XIHOXFUZCOIWBR-SECBINFHSA-N 1 0 237.299 2.035 20 10 BECDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C2(CC2)C1 ZINC001144515683 972858960 /nfs/dbraw/zinc/85/89/60/972858960.db2.gz VKODVCUWJSVFSO-SECBINFHSA-N 1 0 249.310 2.178 20 10 BECDRO Nc1ccc(C[N@H+](CCCCO)C2CC2)cc1 ZINC000043445821 973171995 /nfs/dbraw/zinc/17/19/95/973171995.db2.gz UVRFBORFFUBBRW-UHFFFAOYSA-N 1 0 234.343 2.006 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@H](O)C1 ZINC001329590269 973842221 /nfs/dbraw/zinc/84/22/21/973842221.db2.gz NRUGFAWPMTZSOX-KKOKHZNYSA-N 1 0 247.338 2.362 20 10 BECDRO C[N@H+](Cc1ccccc1O)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172244580 974509759 /nfs/dbraw/zinc/50/97/59/974509759.db2.gz PAISJGKQKPDNBP-AGUYFDCRSA-N 1 0 245.322 2.310 20 10 BECDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC001331074203 974586753 /nfs/dbraw/zinc/58/67/53/974586753.db2.gz ALWCKANFOLSFGU-QWHCGFSZSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1n[nH]c(C)c1C[N@@H+]1Cc2cccc(O)c2C1 ZINC001331743151 974813288 /nfs/dbraw/zinc/81/32/88/974813288.db2.gz KDBRJVJVQXNUGD-UHFFFAOYSA-N 1 0 243.310 2.248 20 10 BECDRO CN(C)c1ccc(O[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001227938999 975801800 /nfs/dbraw/zinc/80/18/00/975801800.db2.gz IAFRKMMRZVULHE-CQSZACIVSA-N 1 0 234.343 2.226 20 10 BECDRO C[C@H](C[N+](C)(C)C)Oc1ccc(N(C)C)cc1 ZINC001227939546 975802278 /nfs/dbraw/zinc/80/22/78/975802278.db2.gz YUYRRZHMJBMGTR-GFCCVEGCSA-N 1 0 237.367 2.226 20 10 BECDRO CN(C)c1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001227939295 975802581 /nfs/dbraw/zinc/80/25/81/975802581.db2.gz RPCCKWGHZNMCPT-HNNXBMFYSA-N 1 0 246.354 2.226 20 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COc1cc(C[NH+]2C3CCC2CC3)c(O)cc1O ZINC001231635397 977656538 /nfs/dbraw/zinc/65/65/38/977656538.db2.gz IDMMMVILDIFKRF-UHFFFAOYSA-N 1 0 249.310 2.233 20 10 BECDRO COc1cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(O)cc1O ZINC001231639086 977657753 /nfs/dbraw/zinc/65/77/53/977657753.db2.gz LSTCKQJXIMIUBJ-KOLCDFICSA-N 1 0 249.310 2.091 20 10 BECDRO COc1cc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(O)cc1O ZINC001231639085 977658876 /nfs/dbraw/zinc/65/88/76/977658876.db2.gz LSTCKQJXIMIUBJ-GXSJLCMTSA-N 1 0 249.310 2.091 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001231842206 977759752 /nfs/dbraw/zinc/75/97/52/977759752.db2.gz KVXBSSAABIBCAR-JSGCOSHPSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(C)c(C[N@@H+](C)[C@H]2CCN(C)C2)c(O)c1 ZINC001231846444 977764728 /nfs/dbraw/zinc/76/47/28/977764728.db2.gz MAJXPNXPXUXYJK-ZDUSSCGKSA-N 1 0 248.370 2.145 20 10 BECDRO COC[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231841879 977764804 /nfs/dbraw/zinc/76/48/04/977764804.db2.gz FMOZNBGZLGXSGQ-CYBMUJFWSA-N 1 0 249.354 2.477 20 10 BECDRO CC[N@H+](CCOC)Cc1c(C)cc(C)cc1O ZINC001231841718 977764905 /nfs/dbraw/zinc/76/49/05/977764905.db2.gz HMWUPTQMWAIXKN-UHFFFAOYSA-N 1 0 237.343 2.477 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CC[C@@H](O)C[C@H]2C)c(O)c1 ZINC001231845549 977765641 /nfs/dbraw/zinc/76/56/41/977765641.db2.gz AEIHVOHXBBFXOI-CHWSQXEVSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CC[C@]23CCOC3)c(O)c1 ZINC001231850830 977767639 /nfs/dbraw/zinc/76/76/39/977767639.db2.gz VFNYXBIUWBTVMN-OAHLLOKOSA-N 1 0 247.338 2.374 20 10 BECDRO COc1cc(N(C)C)ccc1C[NH+]1CC=CC1 ZINC001231849307 977769225 /nfs/dbraw/zinc/76/92/25/977769225.db2.gz RCGHVQPAPWXVAS-UHFFFAOYSA-N 1 0 232.327 2.133 20 10 BECDRO Nc1ccc(Nc2ccc(C[NH3+])cc2)cc1 ZINC001175970844 977839301 /nfs/dbraw/zinc/83/93/01/977839301.db2.gz LIFJKSUUTDQLGC-UHFFFAOYSA-N 1 0 213.284 2.471 20 10 BECDRO C[N@H+](Cc1ccc(N)nc1)Cc1ccccc1O ZINC001232369156 978047469 /nfs/dbraw/zinc/04/74/69/978047469.db2.gz TUZWCKUPKKPWJX-UHFFFAOYSA-N 1 0 243.310 2.001 20 10 BECDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232836219 978309145 /nfs/dbraw/zinc/30/91/45/978309145.db2.gz LOMBEDOKXGAOPK-NSHDSACASA-N 1 0 234.343 2.300 20 10 BECDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N)cc2)cnn1C ZINC001337837556 978520638 /nfs/dbraw/zinc/52/06/38/978520638.db2.gz CENIZNGQROYMKK-JTQLQIEISA-N 1 0 244.342 2.162 20 10 BECDRO C[C@@H]1CC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233332300 978565453 /nfs/dbraw/zinc/56/54/53/978565453.db2.gz GOZDCGKYYCSUFS-SSDOTTSWSA-N 1 0 213.227 2.265 20 10 BECDRO Oc1cc(O)c(C[N@@H+]2CCC23CCCC3)cc1O ZINC001233483390 978610207 /nfs/dbraw/zinc/61/02/07/978610207.db2.gz XXKUGZLIHXGKIN-UHFFFAOYSA-N 1 0 249.310 2.322 20 10 BECDRO Cc1cccc(CN2CC[NH2+][C@H](C(C)C)C2)c1O ZINC001235471226 979053666 /nfs/dbraw/zinc/05/36/66/979053666.db2.gz IZECDPKBUKCICP-AWEZNQCLSA-N 1 0 248.370 2.130 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC001181383251 979067534 /nfs/dbraw/zinc/06/75/34/979067534.db2.gz RIWYQFUIOLNGIR-AWEZNQCLSA-N 1 0 249.354 2.472 20 10 BECDRO CC[C@H]1C[NH2+]CCN1Cc1c(C)cc(C)cc1O ZINC001235772930 979150532 /nfs/dbraw/zinc/15/05/32/979150532.db2.gz MQMRNDBTBBHYHF-ZDUSSCGKSA-N 1 0 248.370 2.193 20 10 BECDRO Cc1ccc(C)c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1O ZINC001236074659 979360443 /nfs/dbraw/zinc/36/04/43/979360443.db2.gz CBMZFSCEXGQTQT-STQMWFEESA-N 1 0 248.370 2.191 20 10 BECDRO Cc1c(CN2CC[C@H]([NH3+])C2)c2ccccc2n1C ZINC001236167544 979419820 /nfs/dbraw/zinc/41/98/20/979419820.db2.gz CQQUOFXYHSGABI-LBPRGKRZSA-N 1 0 243.354 2.020 20 10 BECDRO CC(C)(C)c1ccc(CN2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172291 979428904 /nfs/dbraw/zinc/42/89/04/979428904.db2.gz GRLZOMHHCZOWSE-CYBMUJFWSA-N 1 0 248.370 2.223 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@H](F)C2)c(O)c1 ZINC001236784603 979725111 /nfs/dbraw/zinc/72/51/11/979725111.db2.gz XGTNCSDJEMTGRN-LBPRGKRZSA-N 1 0 223.291 2.498 20 10 BECDRO CCc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c(O)c1 ZINC001236787143 979732719 /nfs/dbraw/zinc/73/27/19/979732719.db2.gz AFESVGKCDQQHJF-HNNXBMFYSA-N 1 0 249.354 2.301 20 10 BECDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]2C)c(O)c1 ZINC001236808997 979741495 /nfs/dbraw/zinc/74/14/95/979741495.db2.gz SMUNRMONAVEUOB-JTQLQIEISA-N 1 0 221.300 2.303 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC001237045986 979806548 /nfs/dbraw/zinc/80/65/48/979806548.db2.gz OJTQSEQFYYVSQL-XHDPSFHLSA-N 1 0 249.354 2.328 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC001237046137 979806854 /nfs/dbraw/zinc/80/68/54/979806854.db2.gz QIZRXLAGOGYXCX-CQSZACIVSA-N 1 0 249.354 2.472 20 10 BECDRO CCOc1ccc(C[N@@H+]2CC[C@H]2C)c(O)c1 ZINC001237050129 979812115 /nfs/dbraw/zinc/81/21/15/979812115.db2.gz PUUXUCXSSFKIBY-SNVBAGLBSA-N 1 0 221.300 2.385 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001237484684 979912403 /nfs/dbraw/zinc/91/24/03/979912403.db2.gz HOWYZSIXLJNALB-OAHLLOKOSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237491994 979917030 /nfs/dbraw/zinc/91/70/30/979917030.db2.gz NOZVDRCTRWAABL-UOJUARBOSA-N 1 0 235.302 2.348 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001237489429 979918124 /nfs/dbraw/zinc/91/81/24/979918124.db2.gz ATOJHZBLULCMGU-VXGBXAGGSA-N 1 0 235.327 2.310 20 10 BECDRO CC[N@H+](Cc1ccccc1O)C1CCOCC1 ZINC000716477613 980153157 /nfs/dbraw/zinc/15/31/57/980153157.db2.gz IEXYHKSQQOSJNC-UHFFFAOYSA-N 1 0 235.327 2.393 20 10 BECDRO C[C@H]([NH3+])[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001345106370 980550191 /nfs/dbraw/zinc/55/01/91/980550191.db2.gz YIAOOQPGMWSHHB-STQMWFEESA-N 1 0 247.386 2.112 20 10 BECDRO Nc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC001345159315 980569046 /nfs/dbraw/zinc/56/90/46/980569046.db2.gz GBVXXWUQXJAVNY-DZGCQCFKSA-N 1 0 246.354 2.270 20 10 BECDRO Cc1cc(C2=CC[NH2+]CC2)ccc1N(C)C ZINC001240469552 981406058 /nfs/dbraw/zinc/40/60/58/981406058.db2.gz BSBJDJQLBAWQIT-UHFFFAOYSA-N 1 0 216.328 2.438 20 10 BECDRO CN1CCOc2cc(C=C3CC[NH2+]CC3)ccc21 ZINC001240878568 981933454 /nfs/dbraw/zinc/93/34/54/981933454.db2.gz SCQQHQUIDSFZMF-UHFFFAOYSA-N 1 0 244.338 2.282 20 10 BECDRO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(N)cc1 ZINC001356083579 983572202 /nfs/dbraw/zinc/57/22/02/983572202.db2.gz TXHMBLQBYIZPDK-HNNXBMFYSA-N 1 0 247.386 2.233 20 10 BECDRO Oc1ccccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000718226231 984410961 /nfs/dbraw/zinc/41/09/61/984410961.db2.gz PZUVRFNSCBQMDW-IKARSPCKSA-N 1 0 245.322 2.001 20 10 BECDRO CN(C)c1ccc(/C=C/CNC(C)(C)C[NH3+])cc1 ZINC001578425471 985055661 /nfs/dbraw/zinc/05/56/61/985055661.db2.gz FEOPUQBKJIZHQA-AATRIKPKSA-N 1 0 247.386 2.093 20 10 BECDRO CCc1cccc(C[N@@H+]2CCCOCC2)c1O ZINC000692109964 985404721 /nfs/dbraw/zinc/40/47/21/985404721.db2.gz PUZWQXPQYYPFPI-UHFFFAOYSA-N 1 0 235.327 2.177 20 10 BECDRO CCc1cccc(C[N@@H+]2CCOC[C@@H]2C)c1O ZINC000692110398 985406067 /nfs/dbraw/zinc/40/60/67/985406067.db2.gz UNHINXUNXRYXSE-NSHDSACASA-N 1 0 235.327 2.175 20 10 BECDRO CCc1cccc(C[N@H+](C)C[C@H]2CCOC2)c1O ZINC000692116625 985407572 /nfs/dbraw/zinc/40/75/72/985407572.db2.gz UVNHFWMSJDAYIS-GFCCVEGCSA-N 1 0 249.354 2.423 20 10 BECDRO CCc1cccc(C[N@H+](C)C[C@H](C)OC)c1O ZINC000692108855 985409000 /nfs/dbraw/zinc/40/90/00/985409000.db2.gz LHKAVFDDTOJNHJ-NSHDSACASA-N 1 0 237.343 2.421 20 10 BECDRO CO[C@@H](C[NH2+]Cc1ccc(N)cc1)C(C)(C)C ZINC001578912405 985517469 /nfs/dbraw/zinc/51/74/69/985517469.db2.gz FVYBYHVSZNQLOD-ZDUSSCGKSA-N 1 0 236.359 2.420 20 10 BECDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2O)CO1 ZINC000688441252 985636875 /nfs/dbraw/zinc/63/68/75/985636875.db2.gz WBSJUCCYHVUIQH-OLZOCXBDSA-N 1 0 235.327 2.358 20 10 BECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CO1 ZINC000688536838 985673889 /nfs/dbraw/zinc/67/38/89/985673889.db2.gz PWOUEUQATSGOFY-DZGCQCFKSA-N 1 0 248.370 2.410 20 10 BECDRO C[C@@]12CSC[C@@H]1C[N@H+](Cc1ccc(N)cc1)C2 ZINC001579475757 985991940 /nfs/dbraw/zinc/99/19/40/985991940.db2.gz QHGYPVNJNKNVPP-GXTWGEPZSA-N 1 0 248.395 2.454 20 10 BECDRO Nc1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1 ZINC001580447408 986853327 /nfs/dbraw/zinc/85/33/27/986853327.db2.gz ZSPXITWGGXRHNS-UHFFFAOYSA-N 1 0 248.717 2.002 20 10 BECDRO CCn1ccc(-c2ccc3c[nH+]cn3c2)cc1=O ZINC001245897169 987117348 /nfs/dbraw/zinc/11/73/48/987117348.db2.gz LMAQSCLXHUUXIJ-UHFFFAOYSA-N 1 0 239.278 2.183 20 10 BECDRO C[C@@H]([NH2+]CCCC[NH3+])c1cc(F)cc(F)c1[O-] ZINC001325719525 989239581 /nfs/dbraw/zinc/23/95/81/989239581.db2.gz AKWRIUGEJWZOLC-MRVPVSSYSA-N 1 0 244.285 2.060 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc(N)cc1)[C@@H]1CCCO1 ZINC001120269592 989620701 /nfs/dbraw/zinc/62/07/01/989620701.db2.gz VAKWLZITFYGZHD-KBPBESRZSA-N 1 0 234.343 2.316 20 10 BECDRO CC[N@@H+](Cc1ccc(N)cc1)C[C@H]1CCCO1 ZINC000035361343 991128524 /nfs/dbraw/zinc/12/85/24/991128524.db2.gz SUFHKVXZQDYHCQ-CQSZACIVSA-N 1 0 234.343 2.270 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC001308822018 991161017 /nfs/dbraw/zinc/16/10/17/991161017.db2.gz ZBHSMYCCFRPWEL-BETUJISGSA-N 1 0 235.327 2.129 20 10 BECDRO CCC[N@H+](CC1=NOCC1)Cc1ccccc1O ZINC001559570638 991164068 /nfs/dbraw/zinc/16/40/68/991164068.db2.gz YSPGKVAIUGJWBM-UHFFFAOYSA-N 1 0 248.326 2.381 20 10 BECDRO Cc1ccc(C)c(C[NH+]2CC3(C2)CCCO3)c1O ZINC001140178162 991549933 /nfs/dbraw/zinc/54/99/33/991549933.db2.gz BDNKFEAQBBBWCP-UHFFFAOYSA-N 1 0 247.338 2.374 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1O ZINC001140178246 991553050 /nfs/dbraw/zinc/55/30/50/991553050.db2.gz FFWFLXQFQGQURN-OLZOCXBDSA-N 1 0 249.354 2.212 20 10 BECDRO C[C@]1(O)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462273 991644348 /nfs/dbraw/zinc/64/43/48/991644348.db2.gz CYLCKCWBHVXVIA-LBPRGKRZSA-N 1 0 241.718 2.002 20 10 BECDRO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC001140460989 991644745 /nfs/dbraw/zinc/64/47/45/991644745.db2.gz AJPAJJOHOFKPMM-NSHDSACASA-N 1 0 241.718 2.002 20 10 BECDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N)cc2)C[C@@H]1C ZINC001336116487 994955251 /nfs/dbraw/zinc/95/52/51/994955251.db2.gz FFZNMKDNLIXNQP-QWHCGFSZSA-N 1 0 247.386 2.183 20 10 BECDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N)cc2)C[C@H]1C ZINC001336116470 994955452 /nfs/dbraw/zinc/95/54/52/994955452.db2.gz FFZNMKDNLIXNQP-CHWSQXEVSA-N 1 0 247.386 2.183 20 10 BECDRO Nc1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC001337837769 995223469 /nfs/dbraw/zinc/22/34/69/995223469.db2.gz FIAXZCDQBCKHCW-CYBMUJFWSA-N 1 0 242.326 2.090 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCO ZINC000020188273 1170146955 /nfs/dbraw/zinc/14/69/55/1170146955.db2.gz KMIRJYXNWUYFJR-MNOVXSKESA-N 1 0 235.327 2.221 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCO ZINC000020188269 1170147336 /nfs/dbraw/zinc/14/73/36/1170147336.db2.gz KMIRJYXNWUYFJR-GHMZBOCLSA-N 1 0 235.327 2.221 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCO ZINC000020188275 1170148087 /nfs/dbraw/zinc/14/80/87/1170148087.db2.gz KMIRJYXNWUYFJR-QWRGUYRKSA-N 1 0 235.327 2.221 20 10 BECDRO Nc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000041079486 1171166938 /nfs/dbraw/zinc/16/69/38/1171166938.db2.gz AQMVJAZMUFMUCN-ZDUSSCGKSA-N 1 0 246.354 2.270 20 10 BECDRO C[C@H]([NH2+]CCC(C)(C)O)c1cc(F)ccc1O ZINC000274775954 398164428 /nfs/dbraw/zinc/16/44/28/398164428.db2.gz JCVQZDGAPSVUPV-VIFPVBQESA-N 1 0 241.306 2.343 20 10 BECDRO COC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000296245931 398209409 /nfs/dbraw/zinc/20/94/09/398209409.db2.gz AZNYJGBNBHEANQ-CHWSQXEVSA-N 1 0 247.338 2.394 20 10 BECDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCOC2)cc1C ZINC000176100318 178195261 /nfs/dbraw/zinc/19/52/61/178195261.db2.gz ZQSMAUNRNSVDSK-CYBMUJFWSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1cc(O)c(C[N@H+](C2CC2)C2COC2)cc1C ZINC000295970544 178196422 /nfs/dbraw/zinc/19/64/22/178196422.db2.gz INWFYBPAQBVLDZ-UHFFFAOYSA-N 1 0 247.338 2.372 20 10 BECDRO Cc1cc(O)c(C[NH2+]C2(CO)CCC2)cc1C ZINC000178639334 178197004 /nfs/dbraw/zinc/19/70/04/178197004.db2.gz ZUXJGZZZNPFYND-UHFFFAOYSA-N 1 0 235.327 2.014 20 10 BECDRO Cc1cc(O)c(C[NH2+]C(C)(C)[C@H](C)O)cc1C ZINC000270623541 178197018 /nfs/dbraw/zinc/19/70/18/178197018.db2.gz CUTACXNTDNKIFA-NSHDSACASA-N 1 0 237.343 2.258 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@]2(C)CCOC2)cc1C ZINC000120132189 178197690 /nfs/dbraw/zinc/19/76/90/178197690.db2.gz MVYHCWMOIAWEDS-AWEZNQCLSA-N 1 0 235.327 2.278 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1C ZINC000189347852 178197804 /nfs/dbraw/zinc/19/78/04/178197804.db2.gz FMQGBMZMTDRNJS-KBPBESRZSA-N 1 0 249.354 2.258 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCC[C@@H]2O)cc1C ZINC000189799822 178197809 /nfs/dbraw/zinc/19/78/09/178197809.db2.gz QKPSNFSBDBCQBZ-KBPBESRZSA-N 1 0 249.354 2.402 20 10 BECDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N(C)C ZINC000083552437 398284076 /nfs/dbraw/zinc/28/40/76/398284076.db2.gz YYYAZDIRHOOINU-VIFPVBQESA-N 1 0 242.750 2.085 20 10 BECDRO CN(C)c1ccc(C[NH2+]C2CC2)cc1F ZINC000034824255 342881690 /nfs/dbraw/zinc/88/16/90/342881690.db2.gz GTXRGSBTHMJVFB-UHFFFAOYSA-N 1 0 208.280 2.144 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cn[nH]c2)c1 ZINC000289578631 398344037 /nfs/dbraw/zinc/34/40/37/398344037.db2.gz BKGWWEWAHDADHL-LLVKDONJSA-N 1 0 245.326 2.317 20 10 BECDRO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000019882185 342961142 /nfs/dbraw/zinc/96/11/42/342961142.db2.gz WMQWTDWBSNRVLH-SECBINFHSA-N 1 0 209.289 2.289 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000020146012 342972059 /nfs/dbraw/zinc/97/20/59/342972059.db2.gz RYVJWGBCFHHQSF-LBPRGKRZSA-N 1 0 236.384 2.348 20 10 BECDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccccc1O ZINC000037155767 343337424 /nfs/dbraw/zinc/33/74/24/343337424.db2.gz IKHXLZBOOKRLPN-NEPJUHHUSA-N 1 0 245.326 2.328 20 10 BECDRO CC[C@H]([NH2+]CCn1ccnc1)c1ccccc1O ZINC000041119023 343415275 /nfs/dbraw/zinc/41/52/75/343415275.db2.gz NCURDNIDLLIYKP-ZDUSSCGKSA-N 1 0 245.326 2.330 20 10 BECDRO CC[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1O ZINC000041158725 343415916 /nfs/dbraw/zinc/41/59/16/343415916.db2.gz MBCQPMRHAIUJFL-ZDUSSCGKSA-N 1 0 245.326 2.367 20 10 BECDRO Cc1cccc(C[N@H+](CC(C)(C)O)C2CC2)c1O ZINC000189941015 179071358 /nfs/dbraw/zinc/07/13/58/179071358.db2.gz NJWZOAUGLCBWFU-UHFFFAOYSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(C[N@H+](CCO)C2CCC2)c1O ZINC000276013105 179072310 /nfs/dbraw/zinc/07/23/10/179072310.db2.gz OSBYZSOCKZZROX-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1O ZINC000180308427 179077194 /nfs/dbraw/zinc/07/71/94/179077194.db2.gz ILMDUHATONBAQA-OCCSQVGLSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(C[NH2+]CCc2ccncc2)c1O ZINC000161123252 179091441 /nfs/dbraw/zinc/09/14/41/179091441.db2.gz IHHWHBMCOVBGJU-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1cccc(C[NH2+]CCOC(C)C)c1O ZINC000134122976 179091875 /nfs/dbraw/zinc/09/18/75/179091875.db2.gz KVFNXIDLRBTZMC-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1O ZINC000224918574 179097351 /nfs/dbraw/zinc/09/73/51/179097351.db2.gz CRIHQLAQYLBQMF-DGCLKSJQSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](C)c2cn[nH]c2)c1O ZINC000224934862 179098812 /nfs/dbraw/zinc/09/88/12/179098812.db2.gz CCDAFDCIBQTBSW-JTQLQIEISA-N 1 0 231.299 2.275 20 10 BECDRO Cc1cccc(C[NH2+][C@H](CO)CC(C)C)c1O ZINC000124734381 179101365 /nfs/dbraw/zinc/10/13/65/179101365.db2.gz XYHJOTXJUQMCRN-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000077204180 191005666 /nfs/dbraw/zinc/00/56/66/191005666.db2.gz YUCCZJZUFGMHCE-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1nccc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000038037466 180190771 /nfs/dbraw/zinc/19/07/71/180190771.db2.gz XQPBAEPOJUUODA-SNVBAGLBSA-N 1 0 243.310 2.341 20 10 BECDRO Cc1ncsc1C[NH2+]CCc1ccc(N)cc1 ZINC000071213751 180320537 /nfs/dbraw/zinc/32/05/37/180320537.db2.gz HYZJDEHNLXVVNY-UHFFFAOYSA-N 1 0 247.367 2.366 20 10 BECDRO CCCCOCC[NH2+]Cc1cc(F)ccc1O ZINC000226587960 350441778 /nfs/dbraw/zinc/44/17/78/350441778.db2.gz OEXYXKINNFICJR-UHFFFAOYSA-N 1 0 241.306 2.438 20 10 BECDRO CO[C@@H](C[NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000072924443 351761918 /nfs/dbraw/zinc/76/19/18/351761918.db2.gz NWHODWWSIVFQIJ-AWEZNQCLSA-N 1 0 237.343 2.461 20 10 BECDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000293706728 188096757 /nfs/dbraw/zinc/09/67/57/188096757.db2.gz LQCGIVPLHUWCIM-AWEZNQCLSA-N 1 0 247.338 2.279 20 10 BECDRO CC1(C)C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000045118287 188123469 /nfs/dbraw/zinc/12/34/69/188123469.db2.gz MBTRBFQAMIJPDL-LBPRGKRZSA-N 1 0 235.283 2.009 20 10 BECDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(C)ccc1O ZINC000230222541 353478604 /nfs/dbraw/zinc/47/86/04/353478604.db2.gz WDYJWDPYIUJXIN-AWEZNQCLSA-N 1 0 237.343 2.341 20 10 BECDRO C[C@H]1C[C@H]1C[NH2+]CCc1ccc(N)cc1 ZINC000167543623 134004461 /nfs/dbraw/zinc/00/44/61/134004461.db2.gz TWIBCSBZQSBIMH-JQWIXIFHSA-N 1 0 204.317 2.057 20 10 BECDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](C)OC ZINC000291150549 364770283 /nfs/dbraw/zinc/77/02/83/364770283.db2.gz ZJPZNXWOYXAKMF-LLVKDONJSA-N 1 0 223.316 2.249 20 10 BECDRO CC(C)OCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296576795 364784879 /nfs/dbraw/zinc/78/48/79/364784879.db2.gz VQFWQXZBXIINBQ-LBPRGKRZSA-N 1 0 235.327 2.394 20 10 BECDRO Nc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000294815705 181714339 /nfs/dbraw/zinc/71/43/39/181714339.db2.gz QVZKHKXBWZYBQT-GWCFXTLKSA-N 1 0 247.342 2.115 20 10 BECDRO OCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000189937442 183098254 /nfs/dbraw/zinc/09/82/54/183098254.db2.gz LUEIXMAUHZYPNS-DGCLKSJQSA-N 1 0 235.327 2.033 20 10 BECDRO OC[C@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000289441820 183141244 /nfs/dbraw/zinc/14/12/44/183141244.db2.gz AWQQEQUVIMQKGI-ZDUSSCGKSA-N 1 0 235.327 2.033 20 10 BECDRO CCCN(CC)CC[NH2+]Cc1ccccc1O ZINC000223227691 169123590 /nfs/dbraw/zinc/12/35/90/169123590.db2.gz BUZNSBCBNXEGCV-UHFFFAOYSA-N 1 0 236.359 2.214 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCCOC1)CC2 ZINC000296022353 183297228 /nfs/dbraw/zinc/29/72/28/183297228.db2.gz PPXMBBRLEIMERI-YPMHNXCESA-N 1 0 247.338 2.396 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375303690 183301548 /nfs/dbraw/zinc/30/15/48/183301548.db2.gz PLJHAPRPQJLJTA-OAHLLOKOSA-N 1 0 247.338 2.395 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000228143693 183301568 /nfs/dbraw/zinc/30/15/68/183301568.db2.gz RUDZBBYUMQICIX-OCCSQVGLSA-N 1 0 233.311 2.146 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245605519 183301639 /nfs/dbraw/zinc/30/16/39/183301639.db2.gz MEDLBVSQORUUKF-DZGCQCFKSA-N 1 0 247.338 2.393 20 10 BECDRO Oc1ccccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000179556750 183302580 /nfs/dbraw/zinc/30/25/80/183302580.db2.gz ZYGFIGITLLNMLF-LBPRGKRZSA-N 1 0 247.338 2.393 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000363916059 183302694 /nfs/dbraw/zinc/30/26/94/183302694.db2.gz DGWWPEMJRFEZHH-UHFFFAOYSA-N 1 0 247.338 2.395 20 10 BECDRO c1cc(C[NH2+]C[C@H]2CCCCO2)cc2c1OCC2 ZINC000042817400 183367511 /nfs/dbraw/zinc/36/75/11/183367511.db2.gz KRJAJLKFGDJZNK-CQSZACIVSA-N 1 0 247.338 2.280 20 10 BECDRO CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019432919 169286732 /nfs/dbraw/zinc/28/67/32/169286732.db2.gz GJILCRDYHDFOAH-SECBINFHSA-N 1 0 209.289 2.461 20 10 BECDRO CCC[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC000019902665 169370436 /nfs/dbraw/zinc/37/04/36/169370436.db2.gz KDVBDGXTKMDJAT-SECBINFHSA-N 1 0 209.289 2.376 20 10 BECDRO CCC[C@H](C[NH2+]Cc1ccccc1O)OC ZINC000293571571 169498877 /nfs/dbraw/zinc/49/88/77/169498877.db2.gz DOSYGWCPZXGKPO-GFCCVEGCSA-N 1 0 223.316 2.297 20 10 BECDRO CCOCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000037269279 383967129 /nfs/dbraw/zinc/96/71/29/383967129.db2.gz PAJQPBYQXDRJOR-UHFFFAOYSA-N 1 0 223.316 2.130 20 10 BECDRO c1cncc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000037362845 383971365 /nfs/dbraw/zinc/97/13/65/383971365.db2.gz RQDVPTGGFSENKE-UHFFFAOYSA-N 1 0 240.306 2.306 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)N(C)C2CC2)c1 ZINC000113337412 383976394 /nfs/dbraw/zinc/97/63/94/383976394.db2.gz QEFDVKZAXWAFMX-LBPRGKRZSA-N 1 0 248.370 2.273 20 10 BECDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000040773749 384163436 /nfs/dbraw/zinc/16/34/36/384163436.db2.gz LMHYWINLSCFBQN-NEPJUHHUSA-N 1 0 237.343 2.450 20 10 BECDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000040776437 384164473 /nfs/dbraw/zinc/16/44/73/384164473.db2.gz GINUAFQEIZSPLZ-CQSZACIVSA-N 1 0 249.354 2.118 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCO)c1 ZINC000132492010 384234116 /nfs/dbraw/zinc/23/41/16/384234116.db2.gz NJYIWONJCORPHW-QWRGUYRKSA-N 1 0 223.316 2.122 20 10 BECDRO C[N@H+](Cc1c(O)cccc1Cl)[C@@H]1CCOC1 ZINC000132773256 384250853 /nfs/dbraw/zinc/25/08/53/384250853.db2.gz OZBPXOUEZROVPA-SECBINFHSA-N 1 0 241.718 2.266 20 10 BECDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(F)ccc1O ZINC000094617629 384306028 /nfs/dbraw/zinc/30/60/28/384306028.db2.gz KGWNBDVENJSAGH-VHSXEESVSA-N 1 0 239.290 2.218 20 10 BECDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618504 384306885 /nfs/dbraw/zinc/30/68/85/384306885.db2.gz JLPVBOJEMWCMFV-BXKDBHETSA-N 1 0 241.306 2.199 20 10 BECDRO C[C@H]([NH2+]C1CCOCC1)c1cc(F)ccc1O ZINC000094617135 384307172 /nfs/dbraw/zinc/30/71/72/384307172.db2.gz LGFNPTAFNOMYMT-VIFPVBQESA-N 1 0 239.290 2.361 20 10 BECDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618376 384307856 /nfs/dbraw/zinc/30/78/56/384307856.db2.gz OHIGBBFVRRXDBX-RNCFNFMXSA-N 1 0 241.306 2.343 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(F)ccc1O ZINC000094616769 384308155 /nfs/dbraw/zinc/30/81/55/384308155.db2.gz HKWNJFYQTKCCNE-ONGXEEELSA-N 1 0 239.290 2.361 20 10 BECDRO C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1O ZINC000119947788 384318990 /nfs/dbraw/zinc/31/89/90/384318990.db2.gz MGWAJCPKNXDTTN-UHFFFAOYSA-N 1 0 248.370 2.310 20 10 BECDRO C[C@H]([NH2+]CCO)c1ccc(N2CCCCC2)cc1 ZINC000159712189 384351594 /nfs/dbraw/zinc/35/15/94/384351594.db2.gz GTGQRABUHCZYTH-ZDUSSCGKSA-N 1 0 248.370 2.320 20 10 BECDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000045656687 384399306 /nfs/dbraw/zinc/39/93/06/384399306.db2.gz ZUVUJQUUNBMKSA-QWRGUYRKSA-N 1 0 223.316 2.325 20 10 BECDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000045656691 384399604 /nfs/dbraw/zinc/39/96/04/384399604.db2.gz ZUVUJQUUNBMKSA-WDEREUQCSA-N 1 0 223.316 2.325 20 10 BECDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000161151701 384470845 /nfs/dbraw/zinc/47/08/45/384470845.db2.gz YSHJSJKFWSHLNZ-LLVKDONJSA-N 1 0 236.359 2.002 20 10 BECDRO COC[C@@H]([NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000183625887 384541848 /nfs/dbraw/zinc/54/18/48/384541848.db2.gz QJKRWFAAPAKNMT-ZWNOBZJWSA-N 1 0 235.327 2.468 20 10 BECDRO CCCC[NH2+]Cc1cccc(OC)c1O ZINC000019906999 384555471 /nfs/dbraw/zinc/55/54/71/384555471.db2.gz FWFIOQHWHPLGMO-UHFFFAOYSA-N 1 0 209.289 2.291 20 10 BECDRO C[C@H]([NH2+]CCO)c1ccc2ccccc2c1O ZINC000020597086 384627561 /nfs/dbraw/zinc/62/75/61/384627561.db2.gz WBAZBASYEGSKHL-JTQLQIEISA-N 1 0 231.295 2.188 20 10 BECDRO CC[C@H](CO)[NH2+][C@H](CC)c1ccccc1O ZINC000020195459 384592017 /nfs/dbraw/zinc/59/20/17/384592017.db2.gz FYWKMVXDQYQHBO-ZYHUDNBSSA-N 1 0 223.316 2.204 20 10 BECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000020205247 384598539 /nfs/dbraw/zinc/59/85/39/384598539.db2.gz JNBHFLYVHNWYBQ-SWLSCSKDSA-N 1 0 248.370 2.410 20 10 BECDRO COCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000101597329 384681675 /nfs/dbraw/zinc/68/16/75/384681675.db2.gz VURXYPXDVIAWEV-NSHDSACASA-N 1 0 235.327 2.136 20 10 BECDRO COC[C@@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000162814493 384693152 /nfs/dbraw/zinc/69/31/52/384693152.db2.gz HOCZHUMEKZUMFY-LLVKDONJSA-N 1 0 223.316 2.167 20 10 BECDRO COC[C@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000162814381 384693838 /nfs/dbraw/zinc/69/38/38/384693838.db2.gz HOCZHUMEKZUMFY-NSHDSACASA-N 1 0 223.316 2.167 20 10 BECDRO CC[C@H]([NH2+]CCN(C)CC)c1ccccc1O ZINC000054109817 384821975 /nfs/dbraw/zinc/82/19/75/384821975.db2.gz LPGSPIVSKOIUPL-ZDUSSCGKSA-N 1 0 236.359 2.385 20 10 BECDRO CC[C@@H](C[NH2+][C@@H](C)c1ccccc1O)OC ZINC000289602083 384789580 /nfs/dbraw/zinc/78/95/80/384789580.db2.gz BPTUNCKWFLTMHG-QWRGUYRKSA-N 1 0 223.316 2.468 20 10 BECDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000163979199 384887329 /nfs/dbraw/zinc/88/73/29/384887329.db2.gz MPEBLRXMSQIMEH-MNOVXSKESA-N 1 0 223.316 2.204 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000051991383 385100612 /nfs/dbraw/zinc/10/06/12/385100612.db2.gz FTQQCDKBHHFZSZ-OSMZGAPFSA-N 1 0 235.327 2.346 20 10 BECDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000191205556 385293280 /nfs/dbraw/zinc/29/32/80/385293280.db2.gz KNLXFFVCVJGPRN-IUCAKERBSA-N 1 0 227.279 2.217 20 10 BECDRO CO[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000191210510 385293538 /nfs/dbraw/zinc/29/35/38/385293538.db2.gz ZDJRDIJZURWGSH-IUCAKERBSA-N 1 0 227.279 2.217 20 10 BECDRO CC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)OC ZINC000289421962 385403236 /nfs/dbraw/zinc/40/32/36/385403236.db2.gz BOXUGEINRBUHOQ-CQSZACIVSA-N 1 0 236.359 2.267 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361050126 385527156 /nfs/dbraw/zinc/52/71/56/385527156.db2.gz FUQBVQJKWDANNP-OCCSQVGLSA-N 1 0 247.338 2.251 20 10 BECDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)C[C@H](C)O ZINC000183524939 385550527 /nfs/dbraw/zinc/55/05/27/385550527.db2.gz HZYIJRFAMFYFRF-WOPDTQHZSA-N 1 0 237.343 2.450 20 10 BECDRO CC[NH+](CC)Cc1cc(OC)c(OC)cc1O ZINC000183445363 385763947 /nfs/dbraw/zinc/76/39/47/385763947.db2.gz JOTSGLWQYSGCFJ-UHFFFAOYSA-N 1 0 239.315 2.251 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1O ZINC000226436045 385817583 /nfs/dbraw/zinc/81/75/83/385817583.db2.gz WLJRWYKTQJNOSY-CKYFFXLPSA-N 1 0 221.300 2.220 20 10 BECDRO C[N@H+](Cc1cccc(F)c1[O-])[C@H]1CCSC1 ZINC000272301710 385892772 /nfs/dbraw/zinc/89/27/72/385892772.db2.gz PUOZWUWXJOSTQY-JTQLQIEISA-N 1 0 241.331 2.469 20 10 BECDRO CS[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000294957409 385929114 /nfs/dbraw/zinc/92/91/14/385929114.db2.gz DMZPUIDEPHGIKE-LLVKDONJSA-N 1 0 241.331 2.469 20 10 BECDRO Nc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000294815708 385900019 /nfs/dbraw/zinc/90/00/19/385900019.db2.gz QVZKHKXBWZYBQT-MFKMUULPSA-N 1 0 247.342 2.115 20 10 BECDRO CC1(C)SC[C@H]1[NH2+]Cc1ccccc1O ZINC000282625694 385925970 /nfs/dbraw/zinc/92/59/70/385925970.db2.gz FWEGGHPOFAQILR-LLVKDONJSA-N 1 0 223.341 2.376 20 10 BECDRO C[C@]1([NH2+]Cc2ccccc2O)CCO[C@@H]1C1CC1 ZINC000273057718 385963507 /nfs/dbraw/zinc/96/35/07/385963507.db2.gz DKXYRUXQJSLAII-CABCVRRESA-N 1 0 247.338 2.439 20 10 BECDRO CSC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000125000414 386219616 /nfs/dbraw/zinc/21/96/16/386219616.db2.gz LROAYTKYCCXSAD-SECBINFHSA-N 1 0 211.330 2.233 20 10 BECDRO C[C@H](CO)CCC[NH2+]Cc1cc(F)ccc1O ZINC000226618437 386344138 /nfs/dbraw/zinc/34/41/38/386344138.db2.gz IZUOJTRMZPFRHT-JTQLQIEISA-N 1 0 241.306 2.030 20 10 BECDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000226608111 386345084 /nfs/dbraw/zinc/34/50/84/386345084.db2.gz CWMKZLWBCIXHCL-CYBMUJFWSA-N 1 0 241.306 2.172 20 10 BECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCOC1 ZINC000226612276 386345681 /nfs/dbraw/zinc/34/56/81/386345681.db2.gz SXSBTLLWVZXFJY-UWVGGRQHSA-N 1 0 239.290 2.046 20 10 BECDRO Cn1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000267104226 386494753 /nfs/dbraw/zinc/49/47/53/386494753.db2.gz POORQAJFHZEMCK-UHFFFAOYSA-N 1 0 242.322 2.250 20 10 BECDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000135224921 386495751 /nfs/dbraw/zinc/49/57/51/386495751.db2.gz RVTYXBSZZXIBNR-OCCSQVGLSA-N 1 0 235.327 2.439 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000277665323 386455786 /nfs/dbraw/zinc/45/57/86/386455786.db2.gz FURICZMGTMVKNF-AAEUAGOBSA-N 1 0 235.327 2.215 20 10 BECDRO CC[C@H]1CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000291816020 386587116 /nfs/dbraw/zinc/58/71/16/386587116.db2.gz DMLVVBDUAKMFLE-JTQLQIEISA-N 1 0 235.283 2.105 20 10 BECDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccccc1O ZINC000228042093 386534951 /nfs/dbraw/zinc/53/49/51/386534951.db2.gz MIAXFEBYQZCSHP-WDEREUQCSA-N 1 0 223.316 2.204 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1O ZINC000278559647 386550116 /nfs/dbraw/zinc/55/01/16/386550116.db2.gz OZTIGFDMUFHJSJ-NTZNESFSSA-N 1 0 235.327 2.468 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000124525158 386634182 /nfs/dbraw/zinc/63/41/82/386634182.db2.gz SPDQYOSRJADPSJ-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000245921527 386611538 /nfs/dbraw/zinc/61/15/38/386611538.db2.gz NWFYHKVFZGLUBI-NEPJUHHUSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cc(C[N@@H+]2CCC[C@H]2CO)ccc1N(C)C ZINC000292945383 386755692 /nfs/dbraw/zinc/75/56/92/386755692.db2.gz BSLLJKYTBRXKBQ-AWEZNQCLSA-N 1 0 248.370 2.018 20 10 BECDRO C[C@H](CF)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288369900 386760692 /nfs/dbraw/zinc/76/06/92/386760692.db2.gz FAEDIHRALCBDQR-SECBINFHSA-N 1 0 209.264 2.069 20 10 BECDRO CC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000293221203 386771464 /nfs/dbraw/zinc/77/14/64/386771464.db2.gz ALXNZUJPMXMTDX-SCZZXKLOSA-N 1 0 243.734 2.467 20 10 BECDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccccc1O ZINC000284524960 387204242 /nfs/dbraw/zinc/20/42/42/387204242.db2.gz ZKRMRSFQFSZARE-NSHDSACASA-N 1 0 235.327 2.348 20 10 BECDRO CO[C@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1C ZINC000188298613 387268578 /nfs/dbraw/zinc/26/85/78/387268578.db2.gz ZCAROQQQPKBSJS-RISCZKNCSA-N 1 0 235.327 2.249 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1 ZINC000188847475 387275578 /nfs/dbraw/zinc/27/55/78/387275578.db2.gz FMKJNKFKJLUFHX-UKRRQHHQSA-N 1 0 248.370 2.003 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000373896625 387403823 /nfs/dbraw/zinc/40/38/23/387403823.db2.gz GZLHDVCLYGEUPI-SWLSCSKDSA-N 1 0 247.338 2.311 20 10 BECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccccc1O ZINC000527783397 387711394 /nfs/dbraw/zinc/71/13/94/387711394.db2.gz LOLNBHDGOMBIEZ-OLZOCXBDSA-N 1 0 221.300 2.049 20 10 BECDRO CO[C@H](C)CC[NH2+]Cc1cc(C)ccc1O ZINC000264937921 387951115 /nfs/dbraw/zinc/95/11/15/387951115.db2.gz DWBXKVXVJHEOEF-LLVKDONJSA-N 1 0 223.316 2.215 20 10 BECDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000293581492 388390388 /nfs/dbraw/zinc/39/03/88/388390388.db2.gz CAACGHZGQPYTQU-HZMBPMFUSA-N 1 0 235.327 2.468 20 10 BECDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000293581510 388390811 /nfs/dbraw/zinc/39/08/11/388390811.db2.gz CAACGHZGQPYTQU-QMTHXVAHSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@@H](CF)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000288398288 388411810 /nfs/dbraw/zinc/41/18/10/388411810.db2.gz HSYIQZNYLDOIIQ-JTQLQIEISA-N 1 0 210.296 2.200 20 10 BECDRO COC[C@@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295996718 388417155 /nfs/dbraw/zinc/41/71/55/388417155.db2.gz OBXCSYSYYAJWLS-CMPLNLGQSA-N 1 0 235.327 2.252 20 10 BECDRO Cc1n[nH]cc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296636158 388425182 /nfs/dbraw/zinc/42/51/82/388425182.db2.gz COEMIMNPEYINOM-LBPRGKRZSA-N 1 0 243.310 2.201 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000246894409 388655337 /nfs/dbraw/zinc/65/53/37/388655337.db2.gz NEUDUOIUDCEPGY-ZJUUUORDSA-N 1 0 249.310 2.351 20 10 BECDRO COC1(C)CC[NH+](Cc2ccccc2O)CC1 ZINC000272338284 389031119 /nfs/dbraw/zinc/03/11/19/389031119.db2.gz HHYKOPWRSHEETC-UHFFFAOYSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCSC2)c1 ZINC000230705283 135548522 /nfs/dbraw/zinc/54/85/22/135548522.db2.gz IFKVUDVQYYOQSZ-LLVKDONJSA-N 1 0 223.341 2.296 20 10 BECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000185823914 397874714 /nfs/dbraw/zinc/87/47/14/397874714.db2.gz LUBUYQNAASZHNB-ISZGNANSSA-N 1 0 248.370 2.169 20 10 BECDRO CC(C)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000272296096 397977934 /nfs/dbraw/zinc/97/79/34/397977934.db2.gz OXJKLESPWADGFE-UHFFFAOYSA-N 1 0 248.370 2.308 20 10 BECDRO CO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179939661 410911809 /nfs/dbraw/zinc/91/18/09/410911809.db2.gz ZQQVWCXVDOEWOG-GFCCVEGCSA-N 1 0 239.290 2.142 20 10 BECDRO CO[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179939677 410912049 /nfs/dbraw/zinc/91/20/49/410912049.db2.gz ZQQVWCXVDOEWOG-LBPRGKRZSA-N 1 0 239.290 2.142 20 10 BECDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1O ZINC000228794600 167392795 /nfs/dbraw/zinc/39/27/95/167392795.db2.gz CVDDRKODJYBLLS-WCQYABFASA-N 1 0 237.343 2.450 20 10 BECDRO CC[C@H]([NH2+]CC1COC1)c1ccccc1O ZINC000528024748 411244500 /nfs/dbraw/zinc/24/45/00/411244500.db2.gz JOXQHYYXOOOTQW-LBPRGKRZSA-N 1 0 221.300 2.079 20 10 BECDRO CC1CCN(CC[NH2+]Cc2ccccc2O)CC1 ZINC000040771214 168181283 /nfs/dbraw/zinc/18/12/83/168181283.db2.gz MBGMHLHEFCPPQI-UHFFFAOYSA-N 1 0 248.370 2.214 20 10 BECDRO CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000034823030 170127212 /nfs/dbraw/zinc/12/72/12/170127212.db2.gz JPBBHGMPVDOOMG-UHFFFAOYSA-N 1 0 204.317 2.396 20 10 BECDRO CCOC1CC([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000124447112 170328819 /nfs/dbraw/zinc/32/88/19/170328819.db2.gz DYPGHEICDWJPLA-UHFFFAOYSA-N 1 0 248.370 2.410 20 10 BECDRO CCOCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362693 170381461 /nfs/dbraw/zinc/38/14/61/170381461.db2.gz MXSAICNYVIHAEI-UHFFFAOYSA-N 1 0 235.327 2.138 20 10 BECDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000163988038 170924507 /nfs/dbraw/zinc/92/45/07/170924507.db2.gz DGRMXFCVNKCNOQ-WDEREUQCSA-N 1 0 223.316 2.204 20 10 BECDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cccc(C)c1O ZINC000191957462 171212920 /nfs/dbraw/zinc/21/29/20/171212920.db2.gz OEXYPPBFGPSKTP-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1 ZINC000188847432 172552469 /nfs/dbraw/zinc/55/24/69/172552469.db2.gz FMKJNKFKJLUFHX-HIFRSBDPSA-N 1 0 248.370 2.003 20 10 BECDRO COC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000132138239 174028884 /nfs/dbraw/zinc/02/88/84/174028884.db2.gz UAACSAHSIQQVSD-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO COCC(C)(C)[N@H+](C)Cc1cc(F)ccc1O ZINC000292857527 174077429 /nfs/dbraw/zinc/07/74/29/174077429.db2.gz UWYPQCCVBKYNGM-UHFFFAOYSA-N 1 0 241.306 2.388 20 10 BECDRO COCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000044350111 174199911 /nfs/dbraw/zinc/19/99/11/174199911.db2.gz DERDAGHNFQQBNP-UHFFFAOYSA-N 1 0 235.327 2.138 20 10 BECDRO COCCCC[NH2+]Cc1cccc(C)c1O ZINC000162828140 174200867 /nfs/dbraw/zinc/20/08/67/174200867.db2.gz SNYBCEMBJWCYKT-UHFFFAOYSA-N 1 0 223.316 2.217 20 10 BECDRO COCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628871 174250603 /nfs/dbraw/zinc/25/06/03/174250603.db2.gz YZAXZNLLCKMZGX-LLVKDONJSA-N 1 0 223.316 2.388 20 10 BECDRO COCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000019881676 174338669 /nfs/dbraw/zinc/33/86/69/174338669.db2.gz HKEFEGHTOQIHHR-GHMZBOCLSA-N 1 0 235.327 2.485 20 10 BECDRO COCC[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000162834548 174384290 /nfs/dbraw/zinc/38/42/90/174384290.db2.gz GRNFECDVJJDIBG-LLVKDONJSA-N 1 0 223.316 2.215 20 10 BECDRO CO[C@@H](C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000276218323 174703699 /nfs/dbraw/zinc/70/36/99/174703699.db2.gz QCICSYVTZUILRV-JTQLQIEISA-N 1 0 240.322 2.016 20 10 BECDRO COc1ccc(C[NH2+][C@H](CO)C(C)C)cc1C ZINC000080789363 175111573 /nfs/dbraw/zinc/11/15/73/175111573.db2.gz CYOBXQIYJJNGQS-CYBMUJFWSA-N 1 0 237.343 2.110 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@@H]2CC2(C)C)c1 ZINC000045116526 175158548 /nfs/dbraw/zinc/15/85/48/175158548.db2.gz JBVGFBPBFQWVKD-GFCCVEGCSA-N 1 0 221.300 2.289 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@@H](C)C2CC2)c1 ZINC000035732853 175159352 /nfs/dbraw/zinc/15/93/52/175159352.db2.gz UTMHRCZQCDVISQ-VIFPVBQESA-N 1 0 221.300 2.289 20 10 BECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC2)c1 ZINC000021960814 175160962 /nfs/dbraw/zinc/16/09/62/175160962.db2.gz DHJMGVZTDGYGAK-QMMMGPOBSA-N 1 0 207.273 2.214 20 10 BECDRO COc1cccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1O ZINC000211649879 175260748 /nfs/dbraw/zinc/26/07/48/175260748.db2.gz BXXKHHJMXVABSY-PHIMTYICSA-N 1 0 235.327 2.489 20 10 BECDRO COc1cccc(C[NH2+]C[C@H]2CCC=CO2)c1O ZINC000275861963 175265720 /nfs/dbraw/zinc/26/57/20/175265720.db2.gz UEFOWCTXALPHMW-GFCCVEGCSA-N 1 0 249.310 2.183 20 10 BECDRO COc1cccc(C[NH2+][C@@H]2CC2(C)C)c1O ZINC000045115879 175267020 /nfs/dbraw/zinc/26/70/20/175267020.db2.gz LKJUSRAJCGPJTB-LLVKDONJSA-N 1 0 221.300 2.289 20 10 BECDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277665281 176341123 /nfs/dbraw/zinc/34/11/23/176341123.db2.gz FUIFKUBNSCJLHG-RISCZKNCSA-N 1 0 247.338 2.136 20 10 BECDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226584706 176397047 /nfs/dbraw/zinc/39/70/47/176397047.db2.gz ZIWBMXSUBXSYBN-RKDXNWHRSA-N 1 0 209.264 2.277 20 10 BECDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000071207007 177126746 /nfs/dbraw/zinc/12/67/46/177126746.db2.gz TZCQTGWYUOTWEU-ONGXEEELSA-N 1 0 249.310 2.399 20 10 BECDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000246894378 177163590 /nfs/dbraw/zinc/16/35/90/177163590.db2.gz NEUDUOIUDCEPGY-UWVGGRQHSA-N 1 0 249.310 2.351 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCCO1 ZINC000179393466 177263402 /nfs/dbraw/zinc/26/34/02/177263402.db2.gz UWZMHIHWIXPRDL-ZDUSSCGKSA-N 1 0 248.370 2.363 20 10 BECDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000136095860 177382227 /nfs/dbraw/zinc/38/22/27/177382227.db2.gz DYEIQGMPQQXOMN-GWCFXTLKSA-N 1 0 217.312 2.367 20 10 BECDRO C[C@H](CCCO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296610398 487806415 /nfs/dbraw/zinc/80/64/15/487806415.db2.gz WGSBFEJQFOHXTD-YPMHNXCESA-N 1 0 249.354 2.378 20 10 BECDRO Cc1cc(Cl)cc(C[NH2+]CC2COC2)c1O ZINC000529676522 324375548 /nfs/dbraw/zinc/37/55/48/324375548.db2.gz UXDZSSONAVBFQK-UHFFFAOYSA-N 1 0 241.718 2.090 20 10 BECDRO CC[NH+](CC)[C@H]1CCN(Cc2ccccc2O)C1 ZINC000134055188 488164808 /nfs/dbraw/zinc/16/48/08/488164808.db2.gz XNOHNWVIDMAMHI-AWEZNQCLSA-N 1 0 248.370 2.308 20 10 BECDRO CC[C@@H](COC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297573458 490308321 /nfs/dbraw/zinc/30/83/21/490308321.db2.gz GUSKRBSNXONXME-NWDGAFQWSA-N 1 0 235.327 2.394 20 10 BECDRO CC[C@H](N[C@H](C)C[NH2+]C)c1ccc(N(C)C)cc1 ZINC000854230878 588780766 /nfs/dbraw/zinc/78/07/66/588780766.db2.gz BCOYKCNJWMBGGF-DOMZBBRYSA-N 1 0 249.402 2.401 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C[C@H](C)O)C2CC2)cc1C ZINC000848929109 582815495 /nfs/dbraw/zinc/81/54/95/582815495.db2.gz STFUGQZFGKJPBM-LBPRGKRZSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c1O ZINC000857060523 588884718 /nfs/dbraw/zinc/88/47/18/588884718.db2.gz ASTGYYBLIJAXSN-BXUZGUMPSA-N 1 0 249.354 2.151 20 10 BECDRO FCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000894221219 583381942 /nfs/dbraw/zinc/38/19/42/583381942.db2.gz LABWUUBXXFNXFN-UHFFFAOYSA-N 1 0 209.264 2.071 20 10 BECDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1O ZINC000895437192 583674752 /nfs/dbraw/zinc/67/47/52/583674752.db2.gz IJZCVYYACNGGAB-ZIAGYGMSSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000896409103 583800457 /nfs/dbraw/zinc/80/04/57/583800457.db2.gz HFEBLAYSXBYZLV-HIFRSBDPSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC2(F)CC2)c1 ZINC000858238658 588940309 /nfs/dbraw/zinc/94/03/09/588940309.db2.gz BJCYFQXBZBPWDH-UHFFFAOYSA-N 1 0 209.264 2.292 20 10 BECDRO C/C=C\C[NH2+]Cc1ccc(OCC)cc1O ZINC000858290135 588942487 /nfs/dbraw/zinc/94/24/87/588942487.db2.gz CNOHZPDCNISKQS-HYXAFXHYSA-N 1 0 221.300 2.457 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCN2C)cc1C ZINC000858307766 588943827 /nfs/dbraw/zinc/94/38/27/588943827.db2.gz QREZKRGPOLLIEP-AWEZNQCLSA-N 1 0 248.370 2.193 20 10 BECDRO Cl/C=C/C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000898435988 584136176 /nfs/dbraw/zinc/13/61/76/584136176.db2.gz OXLILAHYTKCMBO-ORCRQEGFSA-N 1 0 223.703 2.464 20 10 BECDRO Cc1ccc(O)c([C@@H](C)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000902450167 584606513 /nfs/dbraw/zinc/60/65/13/584606513.db2.gz RNSCMQYJTGFBDF-RISCZKNCSA-N 1 0 248.370 2.349 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@H](O)C1CC1)CC2 ZINC000903407487 584758867 /nfs/dbraw/zinc/75/88/67/584758867.db2.gz OPZSXGOCKDNMNV-STQMWFEESA-N 1 0 247.338 2.130 20 10 BECDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccccc1O ZINC000903409491 584759413 /nfs/dbraw/zinc/75/94/13/584759413.db2.gz XTMJCGWVEKHXEU-GWCFXTLKSA-N 1 0 235.327 2.204 20 10 BECDRO CC(C)[C@@H]([NH3+])CNCc1ccc2c(c1)CCCO2 ZINC000904351030 584869393 /nfs/dbraw/zinc/86/93/93/584869393.db2.gz SRJPZRWOYDZXIX-AWEZNQCLSA-N 1 0 248.370 2.085 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000877118646 584890807 /nfs/dbraw/zinc/89/08/07/584890807.db2.gz IPSXIUJHXPZWKF-VXGBXAGGSA-N 1 0 235.327 2.358 20 10 BECDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1C[C@H]1C ZINC000817956829 584991589 /nfs/dbraw/zinc/99/15/89/584991589.db2.gz DPPBMXZSNPZJFG-UHIISALHSA-N 1 0 218.344 2.445 20 10 BECDRO CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1[O-] ZINC000817960977 584992234 /nfs/dbraw/zinc/99/22/34/584992234.db2.gz VKAYMDRNJSHGCU-NSHDSACASA-N 1 0 240.322 2.309 20 10 BECDRO COC1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000839131317 585093813 /nfs/dbraw/zinc/09/38/13/585093813.db2.gz RNBKGVKREGPMSE-UHFFFAOYSA-N 1 0 243.306 2.376 20 10 BECDRO Cc1cccc(C[NH+]2CC3(C2)CCOCC3)c1O ZINC000839141649 585094495 /nfs/dbraw/zinc/09/44/95/585094495.db2.gz VDMJMZNGMWOXKZ-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Oc1ccc(F)cc1C[NH+]1CC2(CC(F)C2)C1 ZINC000839140378 585094627 /nfs/dbraw/zinc/09/46/27/585094627.db2.gz QDFYDEZCKNJAAC-UHFFFAOYSA-N 1 0 239.265 2.465 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000839191225 585097256 /nfs/dbraw/zinc/09/72/56/585097256.db2.gz GXNFXLSYRRNQRB-RYUDHWBXSA-N 1 0 235.352 2.390 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCOCC1 ZINC000742370961 585125152 /nfs/dbraw/zinc/12/51/52/585125152.db2.gz BSYYBKJTESDUTO-UHFFFAOYSA-N 1 0 248.370 2.330 20 10 BECDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccccc1O ZINC000743499125 585137526 /nfs/dbraw/zinc/13/75/26/585137526.db2.gz HUEMBKMYGDKZLC-DGCLKSJQSA-N 1 0 237.343 2.279 20 10 BECDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccccc1O ZINC000743499127 585137657 /nfs/dbraw/zinc/13/76/57/585137657.db2.gz HUEMBKMYGDKZLC-YPMHNXCESA-N 1 0 237.343 2.279 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000751939182 585239483 /nfs/dbraw/zinc/23/94/83/585239483.db2.gz JIIAXCDXNFSBPD-CYBMUJFWSA-N 1 0 235.327 2.230 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC2CC2)cc1 ZINC000754832740 585291317 /nfs/dbraw/zinc/29/13/17/585291317.db2.gz KEGNQAOERDJADD-CQSZACIVSA-N 1 0 248.370 2.003 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC2CC2)cc1 ZINC000754832721 585291326 /nfs/dbraw/zinc/29/13/26/585291326.db2.gz KEGNQAOERDJADD-AWEZNQCLSA-N 1 0 248.370 2.003 20 10 BECDRO COCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756342426 585318027 /nfs/dbraw/zinc/31/80/27/585318027.db2.gz JPNRSTNJVBJBOY-WCBMZHEXSA-N 1 0 239.290 2.316 20 10 BECDRO C[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756343224 585318048 /nfs/dbraw/zinc/31/80/48/585318048.db2.gz VQRTZBFJSCXPPW-NRPADANISA-N 1 0 239.290 2.050 20 10 BECDRO C[N@H+](Cc1c(O)cccc1Cl)C1CC(O)C1 ZINC000761223427 585412364 /nfs/dbraw/zinc/41/23/64/585412364.db2.gz QYBNFPDXRPMHLT-UHFFFAOYSA-N 1 0 241.718 2.001 20 10 BECDRO COc1cccc(O)c1C[N@H+](C)CC(C)C ZINC000768242966 585534889 /nfs/dbraw/zinc/53/48/89/585534889.db2.gz FEZDFBMXMXCTDU-UHFFFAOYSA-N 1 0 223.316 2.489 20 10 BECDRO Cc1ccc(O)c(C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000769425616 585556154 /nfs/dbraw/zinc/55/61/54/585556154.db2.gz QYZLJBPSZGSEKH-UHFFFAOYSA-N 1 0 231.299 2.056 20 10 BECDRO C[C@@]1(O)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769543271 585559436 /nfs/dbraw/zinc/55/94/36/585559436.db2.gz LSWCSAROSCOBNV-GFCCVEGCSA-N 1 0 241.718 2.002 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1 ZINC000773815918 585644308 /nfs/dbraw/zinc/64/43/08/585644308.db2.gz KEAOCGUKYMLDJG-DOMZBBRYSA-N 1 0 248.370 2.098 20 10 BECDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000774830335 585666922 /nfs/dbraw/zinc/66/69/22/585666922.db2.gz BZHFTWQWWTULLE-GXTWGEPZSA-N 1 0 235.327 2.297 20 10 BECDRO CC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000775786841 585685016 /nfs/dbraw/zinc/68/50/16/585685016.db2.gz XGSGAOWGLGFAIS-SECBINFHSA-N 1 0 239.315 2.298 20 10 BECDRO COc1cccc(C[N@H+]2CC=CCC2)c1O ZINC000779159601 585746164 /nfs/dbraw/zinc/74/61/64/585746164.db2.gz NAJUXQCPFSGKQD-UHFFFAOYSA-N 1 0 219.284 2.163 20 10 BECDRO CC[C@@]1(O)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000779215550 585747433 /nfs/dbraw/zinc/74/74/33/585747433.db2.gz BMKXHOUUADVIJV-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@@H](C)O)cc1C ZINC000782979058 585826588 /nfs/dbraw/zinc/82/65/88/585826588.db2.gz NIGLQCUOQQYPRG-VXGBXAGGSA-N 1 0 237.343 2.258 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]2(C)CO)cc1C ZINC000789558001 585944001 /nfs/dbraw/zinc/94/40/01/585944001.db2.gz SBJUZERTFLIRJZ-OAHLLOKOSA-N 1 0 249.354 2.356 20 10 BECDRO COc1cccc(C[NH+]2[C@@H](C)C[C@@H]2C)c1O ZINC000793220814 586014412 /nfs/dbraw/zinc/01/44/12/586014412.db2.gz QREUSXHJPRCEPB-UWVGGRQHSA-N 1 0 221.300 2.384 20 10 BECDRO COc1cccc(O)c1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000793220038 586014468 /nfs/dbraw/zinc/01/44/68/586014468.db2.gz JIQCLNFZMGQXBJ-UWVGGRQHSA-N 1 0 221.300 2.384 20 10 BECDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc2c(cc1O)OCO2 ZINC000793228490 586014669 /nfs/dbraw/zinc/01/46/69/586014669.db2.gz MVULCRKFGCTXHZ-RKDXNWHRSA-N 1 0 235.283 2.104 20 10 BECDRO CC[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C)cc1O ZINC000794804384 586049326 /nfs/dbraw/zinc/04/93/26/586049326.db2.gz DSKJCWZTQDQCQF-JSGCOSHPSA-N 1 0 248.370 2.445 20 10 BECDRO CC[C@H]([NH2+]CCN1CCC1)c1ccc(C)cc1O ZINC000794815782 586049411 /nfs/dbraw/zinc/04/94/11/586049411.db2.gz LUBGIFOFTYOKLF-AWEZNQCLSA-N 1 0 248.370 2.447 20 10 BECDRO CCOc1ccc(O)c(C[NH+]2CC(C)C2)c1 ZINC000802651293 586307700 /nfs/dbraw/zinc/30/77/00/586307700.db2.gz LPVGUSXNGHWLFY-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO Cc1cccc(C[N@@H+]2CCOCC23CC3)c1O ZINC000802658477 586309218 /nfs/dbraw/zinc/30/92/18/586309218.db2.gz DMMDGPUYKWOMCF-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO Cc1cc[nH+]c(NCCc2ccc(O)c(O)c2)c1 ZINC000811810814 586567309 /nfs/dbraw/zinc/56/73/09/586567309.db2.gz DIAIRPGHFKSGNG-UHFFFAOYSA-N 1 0 244.294 2.456 20 10 BECDRO Oc1c(C[N@H+]2CC[C@H](O)C2)ccc2ccccc21 ZINC000816488125 586735648 /nfs/dbraw/zinc/73/56/48/586735648.db2.gz JGDFURKKSFCBOG-ZDUSSCGKSA-N 1 0 243.306 2.112 20 10 BECDRO CC[N@H+](Cc1cc(Cl)ccc1O)[C@@H](C)CO ZINC000816654252 586753453 /nfs/dbraw/zinc/75/34/53/586753453.db2.gz ZLFLAFDXPJGGFD-VIFPVBQESA-N 1 0 243.734 2.248 20 10 BECDRO CC[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938963 586844189 /nfs/dbraw/zinc/84/41/89/586844189.db2.gz WMNXIUHZGRAAEY-FZMZJTMJSA-N 1 0 235.375 2.141 20 10 BECDRO Cc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]C2)c(O)c1C ZINC000817942486 586845043 /nfs/dbraw/zinc/84/50/43/586845043.db2.gz ZRSXTPQPXWEVEH-CHWSQXEVSA-N 1 0 248.370 2.412 20 10 BECDRO CC[C@@H]([NH2+][C@@H]1CCCNC1)c1ccccc1O ZINC000817940140 586845053 /nfs/dbraw/zinc/84/50/53/586845053.db2.gz FXQXHEDRUIEBHX-DGCLKSJQSA-N 1 0 234.343 2.185 20 10 BECDRO Cc1cc(C)c([C@H](C)N[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000817941535 586845337 /nfs/dbraw/zinc/84/53/37/586845337.db2.gz RFIFEOLQFJOTDR-QWHCGFSZSA-N 1 0 248.370 2.412 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CCCNC1)c1ccccc1O ZINC000817940142 586845373 /nfs/dbraw/zinc/84/53/73/586845373.db2.gz FXQXHEDRUIEBHX-YPMHNXCESA-N 1 0 234.343 2.185 20 10 BECDRO CC[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(C)cc1O ZINC000817941984 586845652 /nfs/dbraw/zinc/84/56/52/586845652.db2.gz VHJKYVLQGTUYHE-TZMCWYRMSA-N 1 0 248.370 2.493 20 10 BECDRO CC[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944853 586846296 /nfs/dbraw/zinc/84/62/96/586846296.db2.gz NRPKCZUYIAWQEH-HIFRSBDPSA-N 1 0 247.386 2.155 20 10 BECDRO Cc1ccc([C@H](C)N[C@H]2CC[NH2+]C2)c(O)c1C ZINC000817945066 586846318 /nfs/dbraw/zinc/84/63/18/586846318.db2.gz SOTOMYCSUDHLHN-RYUDHWBXSA-N 1 0 234.343 2.022 20 10 BECDRO Cc1ccc([C@@H](C)N[C@H]2CC[NH2+]C2)c(O)c1C ZINC000817945064 586846541 /nfs/dbraw/zinc/84/65/41/586846541.db2.gz SOTOMYCSUDHLHN-NEPJUHHUSA-N 1 0 234.343 2.022 20 10 BECDRO Oc1cccc2c1[C@H](NC[C@@H]1CCCC[NH2+]1)CC2 ZINC000817949309 586846963 /nfs/dbraw/zinc/84/69/63/586846963.db2.gz IHWKDDHXCYDTGL-QWHCGFSZSA-N 1 0 246.354 2.111 20 10 BECDRO CC[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C)cc1O ZINC000817952846 586849279 /nfs/dbraw/zinc/84/92/79/586849279.db2.gz VHEKDXRTSCUKBJ-GXTWGEPZSA-N 1 0 248.370 2.493 20 10 BECDRO C[C@@H](NCC[NH2+]C1CC1)c1ccc(N(C)C)cc1 ZINC000817954577 586850231 /nfs/dbraw/zinc/85/02/31/586850231.db2.gz ZEURHTDRJYYVHX-GFCCVEGCSA-N 1 0 247.386 2.155 20 10 BECDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCCOC1 ZINC000817957083 586850448 /nfs/dbraw/zinc/85/04/48/586850448.db2.gz ILQJPQFDPYTZOL-GXTWGEPZSA-N 1 0 248.370 2.216 20 10 BECDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817957340 586850724 /nfs/dbraw/zinc/85/07/24/586850724.db2.gz BAVKARBSSNHTGQ-WFASDCNBSA-N 1 0 249.402 2.387 20 10 BECDRO CCC[NH2+]CCN[C@H](C)c1ccccc1O ZINC000817962041 586852526 /nfs/dbraw/zinc/85/25/26/586852526.db2.gz GYSCKTYIAHQXHW-LLVKDONJSA-N 1 0 222.332 2.042 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)cc1[O-] ZINC000817963024 586852890 /nfs/dbraw/zinc/85/28/90/586852890.db2.gz QHGPLHSMGRJHRC-JOYOIKCWSA-N 1 0 240.322 2.167 20 10 BECDRO C[C@@H](NC[C@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817964537 586853973 /nfs/dbraw/zinc/85/39/73/586853973.db2.gz CBWSSDNAZJUPMQ-ABAIWWIYSA-N 1 0 247.386 2.141 20 10 BECDRO CCCC[C@@H](CN)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817963888 586854305 /nfs/dbraw/zinc/85/43/05/586854305.db2.gz XNMQCONJVLSRLQ-STQMWFEESA-N 1 0 248.370 2.487 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CN)c(O)c1 ZINC000817966595 586855383 /nfs/dbraw/zinc/85/53/83/586855383.db2.gz QWJNTTKAVPNQJC-MNOVXSKESA-N 1 0 222.332 2.007 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CNCC[C@@H]2C)c(O)c1 ZINC000817969332 586856439 /nfs/dbraw/zinc/85/64/39/586856439.db2.gz USFUTYMVDQJJMB-OBJOEFQTSA-N 1 0 248.370 2.349 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)CN)c1ccc(N(C)C)cc1 ZINC000817970562 586857287 /nfs/dbraw/zinc/85/72/87/586857287.db2.gz ZZEMRYNDGZXZNT-FZMZJTMJSA-N 1 0 235.375 2.141 20 10 BECDRO CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000824533252 587273898 /nfs/dbraw/zinc/27/38/98/587273898.db2.gz CIRJZPJDAROHFN-NSHDSACASA-N 1 0 243.734 2.248 20 10 BECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000824572273 587277140 /nfs/dbraw/zinc/27/71/40/587277140.db2.gz XHJBVFURMIBPSZ-NSHDSACASA-N 1 0 239.290 2.335 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC2=CCOCC2)cc1C ZINC000824597060 587278689 /nfs/dbraw/zinc/27/86/89/587278689.db2.gz OEHHMIKPAGVXLN-UHFFFAOYSA-N 1 0 247.338 2.445 20 10 BECDRO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@@H](C)O ZINC000824922270 587293550 /nfs/dbraw/zinc/29/35/50/587293550.db2.gz ZGMFHPBBSIRNHA-YPMHNXCESA-N 1 0 237.343 2.258 20 10 BECDRO COC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825059381 587301852 /nfs/dbraw/zinc/30/18/52/587301852.db2.gz XXWWVMPFWZIKEH-VIFPVBQESA-N 1 0 243.734 2.479 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H](CCCO)C2)c1O ZINC000825338762 587315796 /nfs/dbraw/zinc/31/57/96/587315796.db2.gz UMFXKPCAUQERRD-CYBMUJFWSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCF)cc1Cl ZINC000825756641 587337574 /nfs/dbraw/zinc/33/75/74/587337574.db2.gz AGWLTAKUXGUQJC-UHFFFAOYSA-N 1 0 217.671 2.413 20 10 BECDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000827006086 587367879 /nfs/dbraw/zinc/36/78/79/587367879.db2.gz MADMPXNHIYVYDS-JOCQHMNTSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000827359493 587378171 /nfs/dbraw/zinc/37/81/71/587378171.db2.gz OOCFRHZARAHQIH-CYBMUJFWSA-N 1 0 249.354 2.199 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827507255 587384418 /nfs/dbraw/zinc/38/44/18/587384418.db2.gz VXEWSUHMRGBBKK-QWRGUYRKSA-N 1 0 233.311 2.243 20 10 BECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1nccn1C ZINC000827722854 587399533 /nfs/dbraw/zinc/39/95/33/587399533.db2.gz XXBGDINWWCOPKV-VIFPVBQESA-N 1 0 249.289 2.116 20 10 BECDRO OC[C@H](CC1CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834693743 587764446 /nfs/dbraw/zinc/76/44/46/587764446.db2.gz QKNMKKIGLOBGQA-STQMWFEESA-N 1 0 247.338 2.130 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000834913579 587770648 /nfs/dbraw/zinc/77/06/48/587770648.db2.gz HZVYBBZCSPBYPK-KCPJHIHWSA-N 1 0 248.370 2.317 20 10 BECDRO C[C@H](O)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039910 587779368 /nfs/dbraw/zinc/77/93/68/587779368.db2.gz MJPIFZWOKXTTSQ-ZFDPJTLLSA-N 1 0 248.370 2.126 20 10 BECDRO COC[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034288 587779485 /nfs/dbraw/zinc/77/94/85/587779485.db2.gz SMSVZFOYIDQQQC-CFHLNLSMSA-N 1 0 248.370 2.390 20 10 BECDRO CCC1C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000835075640 587780370 /nfs/dbraw/zinc/78/03/70/587780370.db2.gz XOCYJSMISNJHFX-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO CO[C@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840939366 587930880 /nfs/dbraw/zinc/93/08/80/587930880.db2.gz NGOXQODFXGIAMD-SECBINFHSA-N 1 0 243.734 2.479 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000840942350 587931284 /nfs/dbraw/zinc/93/12/84/587931284.db2.gz ZPUHVCIXAUDNHX-WFASDCNBSA-N 1 0 248.370 2.016 20 10 BECDRO COCC[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000840955266 587931680 /nfs/dbraw/zinc/93/16/80/587931680.db2.gz PUPJIKDNKIRBQG-LBPRGKRZSA-N 1 0 249.354 2.384 20 10 BECDRO CCCC[C@H](CN)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841030227 587936292 /nfs/dbraw/zinc/93/62/92/587936292.db2.gz VBPCQRGWKNJZBK-CQSZACIVSA-N 1 0 249.402 2.360 20 10 BECDRO COCC(C)(C)C[NH2+]CCc1ccc(N)cc1 ZINC000841038213 587937738 /nfs/dbraw/zinc/93/77/38/587937738.db2.gz HFUHIWQQKJLLDH-UHFFFAOYSA-N 1 0 236.359 2.074 20 10 BECDRO CC1CC([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841046324 587939386 /nfs/dbraw/zinc/93/93/86/587939386.db2.gz ZTVCBUDVESPREK-HGMXIMQMSA-N 1 0 247.386 2.141 20 10 BECDRO C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(F)c1[O-] ZINC000841078205 587945193 /nfs/dbraw/zinc/94/51/93/587945193.db2.gz CMHOVPNQCKQNHI-JTQLQIEISA-N 1 0 240.322 2.138 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](CN)C2CCCC2)c1 ZINC000841086323 587945521 /nfs/dbraw/zinc/94/55/21/587945521.db2.gz IKHMGIKLURMESZ-AWEZNQCLSA-N 1 0 248.370 2.308 20 10 BECDRO Cc1ccc(O)c(CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000841105639 587946425 /nfs/dbraw/zinc/94/64/25/587946425.db2.gz UVFVOWGYXPHNLT-OAHLLOKOSA-N 1 0 246.354 2.029 20 10 BECDRO COCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744546 587973634 /nfs/dbraw/zinc/97/36/34/587973634.db2.gz PPFBMBSUNSTZDP-QMMMGPOBSA-N 1 0 229.707 2.343 20 10 BECDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752836 587973961 /nfs/dbraw/zinc/97/39/61/587973961.db2.gz CMZJOEXBQZCFHV-WPRPVWTQSA-N 1 0 243.734 2.467 20 10 BECDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(N(C)C)cc1 ZINC000841760045 587974116 /nfs/dbraw/zinc/97/41/16/587974116.db2.gz RXCMAGZILZXNQP-KYOSRNDESA-N 1 0 248.370 2.317 20 10 BECDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(Cl)cc1O ZINC000841763970 587974835 /nfs/dbraw/zinc/97/48/35/587974835.db2.gz OPKROJXNXCOBLJ-QMMMGPOBSA-N 1 0 243.734 2.467 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1C ZINC000842774422 588062241 /nfs/dbraw/zinc/06/22/41/588062241.db2.gz HLJIGZHPSCRCGI-AAEUAGOBSA-N 1 0 235.327 2.276 20 10 BECDRO Cc1cc(O)c(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc1C ZINC000843048958 588076720 /nfs/dbraw/zinc/07/67/20/588076720.db2.gz BTKDXIWSYIMWFP-CHWSQXEVSA-N 1 0 248.370 2.191 20 10 BECDRO COc1ccc2c(c1)CCN2C[C@@]1(C)CC[NH2+]C1 ZINC000843059429 588077724 /nfs/dbraw/zinc/07/77/24/588077724.db2.gz LRUHAVZZBDAEMA-HNNXBMFYSA-N 1 0 246.354 2.057 20 10 BECDRO CCC[C@@H]1CNCC[N@@H+]1Cc1cccc(C)c1O ZINC000843057628 588078180 /nfs/dbraw/zinc/07/81/80/588078180.db2.gz FZBILRSQFGABAO-CQSZACIVSA-N 1 0 248.370 2.275 20 10 BECDRO COc1ccc2c(c1)CCCN2C[C@@H]1CC[NH2+]C1 ZINC000843357746 588103793 /nfs/dbraw/zinc/10/37/93/588103793.db2.gz QFTCUFVALDYGFG-GFCCVEGCSA-N 1 0 246.354 2.057 20 10 BECDRO COc1cccc([C@@H](C)[NH2+]C2CC2)c1O ZINC000846139214 588258536 /nfs/dbraw/zinc/25/85/36/588258536.db2.gz XRNZZXKLTKJUTK-MRVPVSSYSA-N 1 0 207.273 2.214 20 10 BECDRO COc1cccc([C@@H](C)[NH2+]CCCF)c1O ZINC000846156847 588258641 /nfs/dbraw/zinc/25/86/41/588258641.db2.gz PEXSIGJTOCCHCR-SECBINFHSA-N 1 0 227.279 2.411 20 10 BECDRO CCc1cccc(C[N@H+](C)CC[C@@H](C)O)c1O ZINC000848886864 588417349 /nfs/dbraw/zinc/41/73/49/588417349.db2.gz JPVSGDJGHBXDSY-LLVKDONJSA-N 1 0 237.343 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1O ZINC000848908202 588419102 /nfs/dbraw/zinc/41/91/02/588419102.db2.gz OWIUUTMKLUGQRX-CYBMUJFWSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@H+](C)C[C@@H](O)C2CC2)c1O ZINC000848910989 588419506 /nfs/dbraw/zinc/41/95/06/588419506.db2.gz CJIMOAJMSWOQQW-CQSZACIVSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1O ZINC000848913270 588420392 /nfs/dbraw/zinc/42/03/92/588420392.db2.gz SPMAKDBMHGHKDI-CYBMUJFWSA-N 1 0 249.354 2.300 20 10 BECDRO COc1ccc(N2CC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000850346640 588538283 /nfs/dbraw/zinc/53/82/83/588538283.db2.gz VMNBNUDMBODPBV-ZDUSSCGKSA-N 1 0 246.354 2.274 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000850389211 588543231 /nfs/dbraw/zinc/54/32/31/588543231.db2.gz UBMHWVKJQQNUKF-ZDUSSCGKSA-N 1 0 249.354 2.199 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2nccn2C)c1 ZINC000850410436 588544195 /nfs/dbraw/zinc/54/41/95/588544195.db2.gz UFTKVQVOAQQMNS-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO C[C@@H]([NH2+]C/C=C\CO)c1cc(Cl)ccc1O ZINC000850507200 588553201 /nfs/dbraw/zinc/55/32/01/588553201.db2.gz DTPBJBXDRVWNNL-PKRMOACSSA-N 1 0 241.718 2.245 20 10 BECDRO CC[C@@H]([NH2+]C/C=C/CO)c1ccc(C)cc1O ZINC000850507192 588553330 /nfs/dbraw/zinc/55/33/30/588553330.db2.gz DTJPKNCVGVYNMH-MUBLQREKSA-N 1 0 235.327 2.290 20 10 BECDRO CC[C@H]([NH2+]C/C=C\CO)c1ccc(C)cc1O ZINC000850507194 588553401 /nfs/dbraw/zinc/55/34/01/588553401.db2.gz DTJPKNCVGVYNMH-ZFDPJTLLSA-N 1 0 235.327 2.290 20 10 BECDRO C[C@H]([NH2+]C/C=C/CO)c1ccc(Cl)cc1O ZINC000850509785 588554599 /nfs/dbraw/zinc/55/45/99/588554599.db2.gz SNTFVHZAXCXZRC-HPOULIHZSA-N 1 0 241.718 2.245 20 10 BECDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Cl)cc1O ZINC000850577631 588561095 /nfs/dbraw/zinc/56/10/95/588561095.db2.gz BNPVMFZVTHOOED-HGNGGELXSA-N 1 0 241.718 2.220 20 10 BECDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000850579225 588561726 /nfs/dbraw/zinc/56/17/26/588561726.db2.gz UCPXQEHFDMSSFC-QEJZJMRPSA-N 1 0 248.370 2.317 20 10 BECDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862439931 589212878 /nfs/dbraw/zinc/21/28/78/589212878.db2.gz BZIPXEAFFQDUPH-DTORHVGOSA-N 1 0 223.703 2.497 20 10 BECDRO CN(CCC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000863558477 589299153 /nfs/dbraw/zinc/29/91/53/589299153.db2.gz KHKLAVQGJQRBNM-UHFFFAOYSA-N 1 0 233.359 2.095 20 10 BECDRO CCOCCC[N@H+](C)Cc1ccccc1O ZINC000119530539 589302243 /nfs/dbraw/zinc/30/22/43/589302243.db2.gz XDIHLLOTGGNGBV-UHFFFAOYSA-N 1 0 223.316 2.251 20 10 BECDRO C[C@H]1OCC[C@@H]1CN(C)c1ccc(N)cc1 ZINC000866667917 589509958 /nfs/dbraw/zinc/50/99/58/589509958.db2.gz BPSWTJWFBVRCKX-GHMZBOCLSA-N 1 0 220.316 2.130 20 10 BECDRO COc1ccc(N(C[C@@H](C)[NH3+])CC2CC2)cc1 ZINC000866672655 589510613 /nfs/dbraw/zinc/51/06/13/589510613.db2.gz QBNFIJIUYZJZFN-LLVKDONJSA-N 1 0 234.343 2.259 20 10 BECDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCCC1 ZINC000123909672 589853029 /nfs/dbraw/zinc/85/30/29/589853029.db2.gz ZMQXNIWWWVZGII-UHFFFAOYSA-N 1 0 246.354 2.119 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c(O)c1 ZINC000872127122 589876497 /nfs/dbraw/zinc/87/64/97/589876497.db2.gz PEJBZKNHSCQFEX-AVGNSLFASA-N 1 0 249.354 2.431 20 10 BECDRO CC[C@H](O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000124282478 589972991 /nfs/dbraw/zinc/97/29/91/589972991.db2.gz QNSNLJSGAMDCQX-VIFPVBQESA-N 1 0 243.734 2.296 20 10 BECDRO CCCOc1ccc(C[NH2+][C@H](C)CO)cc1C ZINC000873020245 589980037 /nfs/dbraw/zinc/98/00/37/589980037.db2.gz LIYKPHIGOHKDDK-GFCCVEGCSA-N 1 0 237.343 2.254 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000124855456 590094298 /nfs/dbraw/zinc/09/42/98/590094298.db2.gz UYBBZVJCZBRDEC-UPJWGTAASA-N 1 0 233.311 2.110 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CCSCC1 ZINC000876560700 590215829 /nfs/dbraw/zinc/21/58/29/590215829.db2.gz JNMLXOQOUGXHRC-UHFFFAOYSA-N 1 0 223.341 2.249 20 10 BECDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876609382 590221860 /nfs/dbraw/zinc/22/18/60/590221860.db2.gz LYSXNLNVXBDIAQ-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000876678046 590229701 /nfs/dbraw/zinc/22/97/01/590229701.db2.gz ALELWFDVRFPPAB-CYBMUJFWSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCCO[C@H](C)C1 ZINC000876685068 590230628 /nfs/dbraw/zinc/23/06/28/590230628.db2.gz XBBXGNSWMLORSP-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO COC[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876725752 590233588 /nfs/dbraw/zinc/23/35/88/590233588.db2.gz PHQPZVLCWJPQDH-GFCCVEGCSA-N 1 0 235.327 2.169 20 10 BECDRO CCC1(O)CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876764517 590239733 /nfs/dbraw/zinc/23/97/33/590239733.db2.gz OHNDXIUFWALYNM-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c(O)c1 ZINC000876804921 590244441 /nfs/dbraw/zinc/24/44/41/590244441.db2.gz WCOSTJJWKMPLJR-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO CCN1CCC[C@H]1C[NH2+]Cc1c(C)cccc1O ZINC000876881993 590252809 /nfs/dbraw/zinc/25/28/09/590252809.db2.gz WCCVBLLICDJCKO-ZDUSSCGKSA-N 1 0 248.370 2.275 20 10 BECDRO CSCC[NH2+]Cc1ccc(C)cc1O ZINC000876891636 590255275 /nfs/dbraw/zinc/25/52/75/590255275.db2.gz ADSWMDLZSDCMOR-UHFFFAOYSA-N 1 0 211.330 2.153 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC[C@H]1CCCO1 ZINC000876923086 590257836 /nfs/dbraw/zinc/25/78/36/590257836.db2.gz COVJAFDKETVSRO-GFCCVEGCSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1C[C@@H]1C ZINC000876931300 590258409 /nfs/dbraw/zinc/25/84/09/590258409.db2.gz LCDOOYXYWSMZCH-WDEREUQCSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCOC1 ZINC000876955949 590260647 /nfs/dbraw/zinc/26/06/47/590260647.db2.gz FLRKVSVQUXBSGY-GFCCVEGCSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCN(C)C(C)C ZINC000876996113 590264909 /nfs/dbraw/zinc/26/49/09/590264909.db2.gz PAXXVJWFGFNPFY-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO c1cc(C[NH2+]CCC[C@@H]2CCO2)cc2c1OCC2 ZINC000876996569 590267014 /nfs/dbraw/zinc/26/70/14/590267014.db2.gz VMKWIIUAPVTUFW-CQSZACIVSA-N 1 0 247.338 2.280 20 10 BECDRO CCOC1CC(C[NH2+]Cc2ccccc2O)C1 ZINC000876996082 590267132 /nfs/dbraw/zinc/26/71/32/590267132.db2.gz NVIUZCNUZIZSRN-UHFFFAOYSA-N 1 0 235.327 2.297 20 10 BECDRO CCc1cc(C[NH2+]Cc2c(C)cccc2O)[nH]n1 ZINC000877033667 590272010 /nfs/dbraw/zinc/27/20/10/590272010.db2.gz JWKJUEXZOWIKPV-UHFFFAOYSA-N 1 0 245.326 2.276 20 10 BECDRO CC[C@H](O)CCC[NH2+]Cc1ccc(C)cc1O ZINC000877055437 590275451 /nfs/dbraw/zinc/27/54/51/590275451.db2.gz SOFMQTNBQJNBOI-ZDUSSCGKSA-N 1 0 237.343 2.341 20 10 BECDRO CO[C@H](C[NH2+]Cc1c(C)cccc1O)C(C)C ZINC000877067466 590276726 /nfs/dbraw/zinc/27/67/26/590276726.db2.gz HWWVWYASQARGMG-CQSZACIVSA-N 1 0 237.343 2.461 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCSC1 ZINC000877072032 590277791 /nfs/dbraw/zinc/27/77/91/590277791.db2.gz GGNRBOPIJJKNIW-SNVBAGLBSA-N 1 0 223.341 2.296 20 10 BECDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(C)cc1O ZINC000877088224 590281044 /nfs/dbraw/zinc/28/10/44/590281044.db2.gz DGWUXQHGGUTVOQ-AWEZNQCLSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1ccc(C[NH2+]C[C@]2(C)CCCO2)c(O)c1 ZINC000877103828 590284330 /nfs/dbraw/zinc/28/43/30/590284330.db2.gz SQOZBIQCKFMUEC-AWEZNQCLSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH2+]CCN2CCC[C@H]2C)c(O)c1 ZINC000877156561 590293257 /nfs/dbraw/zinc/29/32/57/590293257.db2.gz XIWVMOALJCEXDG-CYBMUJFWSA-N 1 0 248.370 2.275 20 10 BECDRO COCC1=CC[N@H+](Cc2c(C)cccc2O)CC1 ZINC000877418224 590324701 /nfs/dbraw/zinc/32/47/01/590324701.db2.gz WRLRZNVOUNUUHV-UHFFFAOYSA-N 1 0 247.338 2.479 20 10 BECDRO CCOC[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877436214 590326810 /nfs/dbraw/zinc/32/68/10/590326810.db2.gz OQAQROLHXOTVKZ-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c(O)c1 ZINC000877463892 590332786 /nfs/dbraw/zinc/33/27/86/590332786.db2.gz JTVGKUFZBFDBCO-HDJSIYSDSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c(O)c1 ZINC000877479694 590336797 /nfs/dbraw/zinc/33/67/97/590336797.db2.gz VWSXCWLGIZIBCR-WCQYABFASA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)c(O)c1 ZINC000877479693 590336955 /nfs/dbraw/zinc/33/69/55/590336955.db2.gz VWSXCWLGIZIBCR-DGCLKSJQSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000877489191 590338469 /nfs/dbraw/zinc/33/84/69/590338469.db2.gz LETTVPJLGLICSI-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)c1 ZINC000877489192 590339129 /nfs/dbraw/zinc/33/91/29/590339129.db2.gz LEVYPFAHFBPZJU-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(C[NH2+]C2(CN(C)C)CCC2)c(O)c1 ZINC000877497245 590341765 /nfs/dbraw/zinc/34/17/65/590341765.db2.gz KZPZBFYZZYBLNY-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC1=CCCOC1 ZINC000877532940 590349863 /nfs/dbraw/zinc/34/98/63/590349863.db2.gz LXXZTYJRFLKGIF-UHFFFAOYSA-N 1 0 233.311 2.137 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877540666 590350837 /nfs/dbraw/zinc/35/08/37/590350837.db2.gz GFYYHWHHHFTTOO-MNOVXSKESA-N 1 0 223.316 2.214 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000877553084 590355350 /nfs/dbraw/zinc/35/53/50/590355350.db2.gz JAIWJPBITDQMSJ-SWLSCSKDSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+]CC2=CCOCC2)c(O)c1 ZINC000877558495 590358444 /nfs/dbraw/zinc/35/84/44/590358444.db2.gz JIUZQXYZAOAUPV-UHFFFAOYSA-N 1 0 233.311 2.137 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c(O)c1 ZINC000877610049 590372972 /nfs/dbraw/zinc/37/29/72/590372972.db2.gz KOKAYJYRIAHUHI-BZPMIXESSA-N 1 0 233.311 2.110 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c(O)c1 ZINC000877631089 590377507 /nfs/dbraw/zinc/37/75/07/590377507.db2.gz DZOQSWZMNAYSIR-ZIAGYGMSSA-N 1 0 247.338 2.094 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H](CO)CC2CC2)c(O)c1 ZINC000877631612 590377615 /nfs/dbraw/zinc/37/76/15/590377615.db2.gz KMRDTKXDGCAFFL-ZDUSSCGKSA-N 1 0 249.354 2.199 20 10 BECDRO CN(C)c1ccc(/C=C/C[NH2+]C2CSC2)cc1 ZINC000877633957 590378974 /nfs/dbraw/zinc/37/89/74/590378974.db2.gz IVECTPQGNACCRN-ONEGZZNKSA-N 1 0 248.395 2.471 20 10 BECDRO CCCN1CC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877635733 590380440 /nfs/dbraw/zinc/38/04/40/590380440.db2.gz CMAKCAYUDMKTAQ-CYBMUJFWSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1 ZINC000877681288 590390335 /nfs/dbraw/zinc/39/03/35/590390335.db2.gz FXVMSSRAVDBKDV-NTZNESFSSA-N 1 0 235.327 2.356 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000877683294 590390947 /nfs/dbraw/zinc/39/09/47/590390947.db2.gz VSZZHPJQRRGDPF-NQBHXWOUSA-N 1 0 235.327 2.356 20 10 BECDRO Oc1cccc2c1C[N@H+](C[C@H]1CCSC1)C2 ZINC000877702978 590395465 /nfs/dbraw/zinc/39/54/65/590395465.db2.gz MWQGOXALONZVLD-SNVBAGLBSA-N 1 0 235.352 2.461 20 10 BECDRO Oc1cccc2c1C[N@H+](CC[C@@H]1CCOC1)C2 ZINC000877702592 590395651 /nfs/dbraw/zinc/39/56/51/590395651.db2.gz CVJZGPVJHPHGEQ-LLVKDONJSA-N 1 0 233.311 2.134 20 10 BECDRO CCSCC[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703030 590396284 /nfs/dbraw/zinc/39/62/84/590396284.db2.gz OXNNMSHJOVAFQJ-UHFFFAOYSA-N 1 0 223.341 2.461 20 10 BECDRO Oc1cccc2c1C[N@H+](C[C@@H]1CCSC1)C2 ZINC000877702977 590396733 /nfs/dbraw/zinc/39/67/33/590396733.db2.gz MWQGOXALONZVLD-JTQLQIEISA-N 1 0 235.352 2.461 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccccc1O ZINC000877755858 590417904 /nfs/dbraw/zinc/41/79/04/590417904.db2.gz OZTIGFDMUFHJSJ-WZRBSPASSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)O1 ZINC000127710949 590757351 /nfs/dbraw/zinc/75/73/51/590757351.db2.gz QEUFPJFNRVWLFZ-SWLSCSKDSA-N 1 0 248.370 2.410 20 10 BECDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](O)C1 ZINC000127988454 590864042 /nfs/dbraw/zinc/86/40/42/590864042.db2.gz JPVYURLZZLFOOO-VIFPVBQESA-N 1 0 241.718 2.002 20 10 BECDRO OCC[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000128120301 590899401 /nfs/dbraw/zinc/89/94/01/590899401.db2.gz UPYSXLAPKBEAHV-UHFFFAOYSA-N 1 0 241.718 2.002 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)C2)cc1C ZINC000129466566 591303712 /nfs/dbraw/zinc/30/37/12/591303712.db2.gz RHQYVWOMNYJJGF-OAHLLOKOSA-N 1 0 249.354 2.356 20 10 BECDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000212586026 591417167 /nfs/dbraw/zinc/41/71/67/591417167.db2.gz DNKIUFOYTQVOSD-ZDUSSCGKSA-N 1 0 247.342 2.082 20 10 BECDRO COC[C@H](C)[NH2+]CCCSc1nccs1 ZINC000132313100 591700852 /nfs/dbraw/zinc/70/08/52/591700852.db2.gz SHZWTCHHHUBCSR-VIFPVBQESA-N 1 0 246.401 2.250 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000132665644 591728559 /nfs/dbraw/zinc/72/85/59/591728559.db2.gz RUNWUJUKDWBTSH-JTQLQIEISA-N 1 0 221.300 2.243 20 10 BECDRO CC(C)(CO)C[NH2+]Cc1cc(Cl)ccc1O ZINC000133521566 591818501 /nfs/dbraw/zinc/81/85/01/591818501.db2.gz FEUZVHJHWYPITB-UHFFFAOYSA-N 1 0 243.734 2.154 20 10 BECDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000134247619 591906989 /nfs/dbraw/zinc/90/69/89/591906989.db2.gz JJUUGHCHVYSPTI-KCJUWKMLSA-N 1 0 241.718 2.313 20 10 BECDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000134247644 591906998 /nfs/dbraw/zinc/90/69/98/591906998.db2.gz JJUUGHCHVYSPTI-KWQFWETISA-N 1 0 241.718 2.313 20 10 BECDRO Oc1ccccc1C[NH2+]Cc1ccoc1 ZINC000136401381 592117310 /nfs/dbraw/zinc/11/73/10/592117310.db2.gz NQTPTPXKNDFWEI-UHFFFAOYSA-N 1 0 203.241 2.275 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000136823889 592151126 /nfs/dbraw/zinc/15/11/26/592151126.db2.gz FHYXHEGYJKYZLH-OLZOCXBDSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1C[C@]12CCOC2)c1ccccc1O ZINC000886310278 592205112 /nfs/dbraw/zinc/20/51/12/592205112.db2.gz IKPMUSSJLXFZMN-JMSVASOKSA-N 1 0 247.338 2.469 20 10 BECDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000220662477 592322134 /nfs/dbraw/zinc/32/21/34/592322134.db2.gz OOZOOQMOHXPQKB-KOLCDFICSA-N 1 0 223.341 2.376 20 10 BECDRO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000313022152 634438676 /nfs/dbraw/zinc/43/86/76/634438676.db2.gz BBFKOVFXUMRUIF-YPMHNXCESA-N 1 0 247.338 2.394 20 10 BECDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1O ZINC000313031859 634439752 /nfs/dbraw/zinc/43/97/52/634439752.db2.gz ZCNCJANKLNEUHZ-MFKMUULPSA-N 1 0 235.327 2.468 20 10 BECDRO CC(C)N(C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000054110974 635391768 /nfs/dbraw/zinc/39/17/68/635391768.db2.gz CSKRGNNLDFIRFV-LBPRGKRZSA-N 1 0 236.359 2.383 20 10 BECDRO CCOC[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226607189 635437576 /nfs/dbraw/zinc/43/75/76/635437576.db2.gz ZLHKRXHFSGYRQJ-VIFPVBQESA-N 1 0 227.279 2.046 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CCc1ccncc1 ZINC000226615565 635435862 /nfs/dbraw/zinc/43/58/62/635435862.db2.gz HETFNVXJOMKDCT-UHFFFAOYSA-N 1 0 246.285 2.259 20 10 BECDRO C[C@@H](CF)[NH2+]Cc1c(O)cccc1Cl ZINC000308523090 631419748 /nfs/dbraw/zinc/41/97/48/631419748.db2.gz VBWAVEIKQPHBFZ-ZETCQYMHSA-N 1 0 217.671 2.493 20 10 BECDRO Cc1cccc(C[NH2+]C(C)(C)CN(C)C)c1O ZINC000308608361 631446891 /nfs/dbraw/zinc/44/68/91/631446891.db2.gz LIZDGCMAFANFIS-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000310115243 631482464 /nfs/dbraw/zinc/48/24/64/631482464.db2.gz CAOUWIFCOCKGKE-DGCLKSJQSA-N 1 0 235.327 2.033 20 10 BECDRO CSCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000308959012 631756303 /nfs/dbraw/zinc/75/63/03/631756303.db2.gz YMATZGKWYGIFQL-SNVBAGLBSA-N 1 0 223.341 2.332 20 10 BECDRO C[C@@H]1CC2(CC([NH2+]Cc3ccccc3O)C2)CO1 ZINC000924903848 635759177 /nfs/dbraw/zinc/75/91/77/635759177.db2.gz WXMXRPWOWAUHON-NUYPLMSZSA-N 1 0 247.338 2.439 20 10 BECDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc2c(cc1O)OCO2 ZINC000091937871 632661711 /nfs/dbraw/zinc/66/17/11/632661711.db2.gz HOKHIFWFUMVSKX-NXEZZACHSA-N 1 0 249.310 2.494 20 10 BECDRO COc1cccc(O)c1C[NH2+]CCc1ccco1 ZINC000725841483 632765126 /nfs/dbraw/zinc/76/51/26/632765126.db2.gz FFXGVYMMAAFSAC-UHFFFAOYSA-N 1 0 247.294 2.326 20 10 BECDRO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1ccccc1O ZINC000235528455 632776960 /nfs/dbraw/zinc/77/69/60/632776960.db2.gz STVLIJJLGWFINX-QJPTWQEYSA-N 1 0 235.327 2.468 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CCCC1)CC2 ZINC000310859913 633011509 /nfs/dbraw/zinc/01/15/09/633011509.db2.gz NSASLEXAJLAQHY-ZDUSSCGKSA-N 1 0 246.354 2.065 20 10 BECDRO CC[C@H]([NH2+][C@H](C)CO)c1cc(Cl)ccc1O ZINC000309421633 633048014 /nfs/dbraw/zinc/04/80/14/633048014.db2.gz DSPVJLXYAGOWTA-KCJUWKMLSA-N 1 0 243.734 2.467 20 10 BECDRO CC(C)C[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311184263 633082997 /nfs/dbraw/zinc/08/29/97/633082997.db2.gz ZZUKPHGTZYFDHQ-STQMWFEESA-N 1 0 249.354 2.376 20 10 BECDRO CC(C)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311184260 633083348 /nfs/dbraw/zinc/08/33/48/633083348.db2.gz ZZUKPHGTZYFDHQ-CHWSQXEVSA-N 1 0 249.354 2.376 20 10 BECDRO COC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000181085811 633909982 /nfs/dbraw/zinc/90/99/82/633909982.db2.gz PVJBTAQAXPDGKX-UHFFFAOYSA-N 1 0 248.370 2.411 20 10 BECDRO CC[C@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000309445160 633921268 /nfs/dbraw/zinc/92/12/68/633921268.db2.gz JNWKYZYBYMOOHF-ZDUSSCGKSA-N 1 0 221.300 2.051 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@H](CF)C2)c(O)c1 ZINC000895569081 636160439 /nfs/dbraw/zinc/16/04/39/636160439.db2.gz RZJBKJKNORZAQS-NSHDSACASA-N 1 0 223.291 2.492 20 10 BECDRO CC[C@@H]([NH2+]CCOC)c1ccc(C)cc1O ZINC000310035432 634098367 /nfs/dbraw/zinc/09/83/67/634098367.db2.gz TYGPDVRWNBMJCU-GFCCVEGCSA-N 1 0 223.316 2.388 20 10 BECDRO COc1ccc(O)c(C[NH2+]C2CC=CC2)c1 ZINC000162703146 634294001 /nfs/dbraw/zinc/29/40/01/634294001.db2.gz PPQZMGRYOGYUKY-UHFFFAOYSA-N 1 0 219.284 2.209 20 10 BECDRO Cc1cc(O)c(CN[C@@H]2C[NH2+]CC2(C)C)cc1C ZINC000904463594 637406559 /nfs/dbraw/zinc/40/65/59/637406559.db2.gz QPASEEJEGIHKCA-CQSZACIVSA-N 1 0 248.370 2.097 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000164237274 640457137 /nfs/dbraw/zinc/45/71/37/640457137.db2.gz WUSYDTXXXDKMHH-JQWIXIFHSA-N 1 0 241.718 2.049 20 10 BECDRO C[C@H]([NH2+]C1CCOCC1)c1ccccc1O ZINC000036319506 640475246 /nfs/dbraw/zinc/47/52/46/640475246.db2.gz LVPMOSNWWOBLLT-JTQLQIEISA-N 1 0 221.300 2.222 20 10 BECDRO CCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000932973824 640659013 /nfs/dbraw/zinc/65/90/13/640659013.db2.gz LMASNPUZODFNIR-HNNXBMFYSA-N 1 0 248.370 2.363 20 10 BECDRO CCOCCC[NH2+]Cc1ccc(C)cc1O ZINC000083352846 640692934 /nfs/dbraw/zinc/69/29/34/640692934.db2.gz PVVBVXMKCRPTMS-UHFFFAOYSA-N 1 0 223.316 2.217 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)CC(C)C)c1 ZINC000226647128 640787609 /nfs/dbraw/zinc/78/76/09/640787609.db2.gz ZWMSZRKXBQTTAI-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO COC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111327 640845973 /nfs/dbraw/zinc/84/59/73/640845973.db2.gz XZVLXNWYTCWHMV-IUCAKERBSA-N 1 0 227.279 2.217 20 10 BECDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230150744 641031639 /nfs/dbraw/zinc/03/16/39/641031639.db2.gz XLEMKDIQRUDQMK-IAQYHMDHSA-N 1 0 247.338 2.279 20 10 BECDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230150739 641031654 /nfs/dbraw/zinc/03/16/54/641031654.db2.gz XLEMKDIQRUDQMK-XHDPSFHLSA-N 1 0 247.338 2.279 20 10 BECDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230152943 641032403 /nfs/dbraw/zinc/03/24/03/641032403.db2.gz RXJGGFDONUZBMP-SWLSCSKDSA-N 1 0 248.370 2.410 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000230164772 641035322 /nfs/dbraw/zinc/03/53/22/641035322.db2.gz OTSKRRNTLXIASN-GFCCVEGCSA-N 1 0 235.327 2.217 20 10 BECDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000313038538 641527679 /nfs/dbraw/zinc/52/76/79/641527679.db2.gz CDVCLYOASPNUEV-CQSZACIVSA-N 1 0 247.338 2.136 20 10 BECDRO CC[C@@H]([NH2+]Cc1cncn1C)c1ccccc1O ZINC000271761110 641961228 /nfs/dbraw/zinc/96/12/28/641961228.db2.gz ZPICLXRCPUMBSF-CYBMUJFWSA-N 1 0 245.326 2.367 20 10 BECDRO COCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921473749 642632512 /nfs/dbraw/zinc/63/25/12/642632512.db2.gz ZXHSYOZJEZZODN-UHFFFAOYSA-N 1 0 235.327 2.138 20 10 BECDRO C[C@H]1OCC[N@H+](Cc2ccccc2O)[C@@H]1C ZINC000179575445 642726545 /nfs/dbraw/zinc/72/65/45/642726545.db2.gz GFRAFCAIAAKLRZ-GHMZBOCLSA-N 1 0 221.300 2.001 20 10 BECDRO CCOc1cccc(C[NH2+]CCSC)c1O ZINC000068890386 642806694 /nfs/dbraw/zinc/80/66/94/642806694.db2.gz RIIWGWPAAIJNKC-UHFFFAOYSA-N 1 0 241.356 2.244 20 10 BECDRO CCOC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000070955495 643087224 /nfs/dbraw/zinc/08/72/24/643087224.db2.gz BIEXXPIBJWSIQG-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO CCOC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000070955492 643087670 /nfs/dbraw/zinc/08/76/70/643087670.db2.gz BIEXXPIBJWSIQG-LLVKDONJSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CCO)c(O)c1 ZINC000097439710 643130009 /nfs/dbraw/zinc/13/00/09/643130009.db2.gz KCJAKFGUPZSGJY-VXGBXAGGSA-N 1 0 237.343 2.370 20 10 BECDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1O ZINC000184739450 643232571 /nfs/dbraw/zinc/23/25/71/643232571.db2.gz HKHJQFUQIQNHHQ-AWEZNQCLSA-N 1 0 248.370 2.164 20 10 BECDRO CC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000082687171 643365016 /nfs/dbraw/zinc/36/50/16/643365016.db2.gz DSPAQMUKRPATTI-LBPRGKRZSA-N 1 0 243.734 2.296 20 10 BECDRO CSCC[NH2+][C@@H](C)c1ccccc1O ZINC000068993757 643435980 /nfs/dbraw/zinc/43/59/80/643435980.db2.gz MMPMHPXWJOGHHI-VIFPVBQESA-N 1 0 211.330 2.406 20 10 BECDRO Cc1ccc(C[NH2+]CCCCCCO)c(O)c1 ZINC000083365126 643442423 /nfs/dbraw/zinc/44/24/23/643442423.db2.gz LMEOOPGTAAEFTB-UHFFFAOYSA-N 1 0 237.343 2.343 20 10 BECDRO CCOC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000044688138 643547910 /nfs/dbraw/zinc/54/79/10/643547910.db2.gz ONKKNUXURBHYHF-GFCCVEGCSA-N 1 0 236.359 2.267 20 10 BECDRO C[C@@H](CCO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921800084 643795964 /nfs/dbraw/zinc/79/59/64/643795964.db2.gz CEUQEROUISQQSJ-LBPRGKRZSA-N 1 0 249.354 2.120 20 10 BECDRO C[C@H](CCCO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921832354 643805133 /nfs/dbraw/zinc/80/51/33/643805133.db2.gz KUWBULHXIAIEBL-GFCCVEGCSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921947757 643832501 /nfs/dbraw/zinc/83/25/01/643832501.db2.gz XMFBXALLLRFPDK-LLVKDONJSA-N 1 0 249.354 2.261 20 10 BECDRO C[C@H](O)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922073486 643858844 /nfs/dbraw/zinc/85/88/44/643858844.db2.gz IPSGPMPSZLQBOP-LBPRGKRZSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922637808 644045597 /nfs/dbraw/zinc/04/55/97/644045597.db2.gz BULFEHFURLLUNC-FZMZJTMJSA-N 1 0 247.338 2.136 20 10 BECDRO CCOCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000194563877 644328799 /nfs/dbraw/zinc/32/87/99/644328799.db2.gz PEXJBLUWIVTCMS-UHFFFAOYSA-N 1 0 236.359 2.221 20 10 BECDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1 ZINC000773758464 644696127 /nfs/dbraw/zinc/69/61/27/644696127.db2.gz TXWXJSCEIPDGRG-OAHLLOKOSA-N 1 0 248.370 2.363 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](OC)C2)cc1 ZINC000773756189 644696315 /nfs/dbraw/zinc/69/63/15/644696315.db2.gz ULQIKNFFWVXKCX-OAHLLOKOSA-N 1 0 248.370 2.363 20 10 BECDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984385 644995051 /nfs/dbraw/zinc/99/50/51/644995051.db2.gz RVHRXKWUEINOOZ-NWDGAFQWSA-N 1 0 234.343 2.185 20 10 BECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000824636624 645057600 /nfs/dbraw/zinc/05/76/00/645057600.db2.gz RWMSNHSHTJOTLC-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](CC)CO ZINC000929753564 646285190 /nfs/dbraw/zinc/28/51/90/646285190.db2.gz SCLGDEWLUOTTMI-ZDUSSCGKSA-N 1 0 237.343 2.375 20 10 BECDRO COc1cccc(C[NH2+][C@H]2CC23CC3)c1O ZINC000715322603 712521490 /nfs/dbraw/zinc/52/14/90/712521490.db2.gz OZBIXZXVODYHCL-NSHDSACASA-N 1 0 219.284 2.043 20 10 BECDRO CCCN(c1ccc(C[NH3+])cc1)C1CSC1 ZINC000381643009 710665033 /nfs/dbraw/zinc/66/50/33/710665033.db2.gz PRMXBUGJMLPXRI-UHFFFAOYSA-N 1 0 236.384 2.477 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CC23CC(O)C3)cc1C ZINC000724932563 710750258 /nfs/dbraw/zinc/75/02/58/710750258.db2.gz XGOCSSFWRNZCHB-BLZCZZARSA-N 1 0 247.338 2.007 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000380571774 712901569 /nfs/dbraw/zinc/90/15/69/712901569.db2.gz OJVAQBZUPHFDBH-JOYOIKCWSA-N 1 0 221.300 2.289 20 10 BECDRO C/C=C/C[NH2+]Cc1cccc(OCC)c1O ZINC000384732998 710952739 /nfs/dbraw/zinc/95/27/39/710952739.db2.gz KDIGDBJBNLVXGO-HWKANZROSA-N 1 0 221.300 2.457 20 10 BECDRO COc1ccc(N(C)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000383319934 710979950 /nfs/dbraw/zinc/97/99/50/710979950.db2.gz CFIOYCLPAOJHGD-VIFPVBQESA-N 1 0 244.285 2.114 20 10 BECDRO CC[N@@H+](Cc1cc(F)ccc1O)C[C@H](C)OC ZINC000383341987 710980403 /nfs/dbraw/zinc/98/04/03/710980403.db2.gz RTJVQXPEWIAZEV-JTQLQIEISA-N 1 0 241.306 2.388 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H]1C ZINC000386181609 711025465 /nfs/dbraw/zinc/02/54/65/711025465.db2.gz CHXUIHQZIXLUNE-GYSYKLTISA-N 1 0 218.344 2.445 20 10 BECDRO C[NH+](C)CCSc1ncc(Cl)s1 ZINC000388432577 711061618 /nfs/dbraw/zinc/06/16/18/711061618.db2.gz OFPRLGFNRCTGBL-UHFFFAOYSA-N 1 0 222.766 2.450 20 10 BECDRO Cc1ccc(O)c(CN[C@H](C)C(F)F)c1 ZINC000389964848 711101099 /nfs/dbraw/zinc/10/10/99/711101099.db2.gz LAXBANSIJSYMSJ-MRVPVSSYSA-N 1 0 215.243 2.444 20 10 BECDRO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(F)ccc1O ZINC000393968034 711180830 /nfs/dbraw/zinc/18/08/30/711180830.db2.gz GUULXRILAXOEKK-RKDXNWHRSA-N 1 0 241.306 2.341 20 10 BECDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1O ZINC000394073001 711183526 /nfs/dbraw/zinc/18/35/26/711183526.db2.gz RBMJTNRMCKXPTA-NWDGAFQWSA-N 1 0 237.343 2.307 20 10 BECDRO C[C@H]([NH2+]CCOC(F)F)c1ccccc1O ZINC000398163749 711403343 /nfs/dbraw/zinc/40/33/43/711403343.db2.gz CZRQOKFKFBBHDZ-QMMMGPOBSA-N 1 0 231.242 2.282 20 10 BECDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000398587322 711413046 /nfs/dbraw/zinc/41/30/46/711413046.db2.gz SWPZSZNRIQKHGV-OAHLLOKOSA-N 1 0 249.354 2.118 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000384890468 711000009 /nfs/dbraw/zinc/00/00/09/711000009.db2.gz KSWLHTWBAGLMST-DMDPSCGWSA-N 1 0 235.327 2.356 20 10 BECDRO C/C=C\C[NH2+]Cc1cccc(OC)c1O ZINC000384940251 711001160 /nfs/dbraw/zinc/00/11/60/711001160.db2.gz UGADBOBZNIOCMW-ARJAWSKDSA-N 1 0 207.273 2.067 20 10 BECDRO C/C=C/C[NH2+]Cc1cccc(OC)c1O ZINC000384940252 711001485 /nfs/dbraw/zinc/00/14/85/711001485.db2.gz UGADBOBZNIOCMW-ONEGZZNKSA-N 1 0 207.273 2.067 20 10 BECDRO C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOC1 ZINC000397160227 711378063 /nfs/dbraw/zinc/37/80/63/711378063.db2.gz SNQYIZVQNCCYFG-SWLSCSKDSA-N 1 0 247.338 2.396 20 10 BECDRO CC(C)N(C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000386450993 711556793 /nfs/dbraw/zinc/55/67/93/711556793.db2.gz DQAYUEIGMZAWBW-ZDUSSCGKSA-N 1 0 248.370 2.309 20 10 BECDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@@H](C)O ZINC000386727924 711649957 /nfs/dbraw/zinc/64/99/57/711649957.db2.gz UOMOFAXMQPIEJA-FOGDFJRCSA-N 1 0 223.316 2.202 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@@H](C)O1 ZINC000385120439 711665382 /nfs/dbraw/zinc/66/53/82/711665382.db2.gz KASZETQPVKYOTK-LNLATYFQSA-N 1 0 239.290 2.187 20 10 BECDRO CC(C)(C)C[NH2+]CCc1ccc(N)cc1 ZINC000040494975 711691883 /nfs/dbraw/zinc/69/18/83/711691883.db2.gz SAZRZLYNSZYYBZ-UHFFFAOYSA-N 1 0 206.333 2.447 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2COCC2(C)C)cc1 ZINC000313148861 711713981 /nfs/dbraw/zinc/71/39/81/711713981.db2.gz UHFDEKPTLHOQTF-CQSZACIVSA-N 1 0 248.370 2.267 20 10 BECDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840935690 711739043 /nfs/dbraw/zinc/73/90/43/711739043.db2.gz AEFIJEUVXXNYPS-UHFFFAOYSA-N 1 0 248.370 2.330 20 10 BECDRO CC[N@H+](Cc1cccc(C)c1O)[C@H]1CCOC1 ZINC000310473683 711777123 /nfs/dbraw/zinc/77/71/23/711777123.db2.gz BHCWTGNPJBDHOJ-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CCN1CCCC1)CC2 ZINC000310859911 711792530 /nfs/dbraw/zinc/79/25/30/711792530.db2.gz NSASLEXAJLAQHY-CYBMUJFWSA-N 1 0 246.354 2.065 20 10 BECDRO C[C@H](O)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000227958308 711833185 /nfs/dbraw/zinc/83/31/85/711833185.db2.gz CYDPBPWJHMHEBJ-VIFPVBQESA-N 1 0 243.734 2.296 20 10 BECDRO COc1cccc(C[NH2+][C@H]2C=CCC2)c1O ZINC000700545398 711997262 /nfs/dbraw/zinc/99/72/62/711997262.db2.gz ZHKGPMRTTSPEFI-NSHDSACASA-N 1 0 219.284 2.209 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000701075219 712013739 /nfs/dbraw/zinc/01/37/39/712013739.db2.gz NHHIBDMJAQNISH-HIFRSBDPSA-N 1 0 247.338 2.358 20 10 BECDRO COc1ccc(CNC2CC([NH+](C)C)C2)cc1C ZINC000701500231 712025110 /nfs/dbraw/zinc/02/51/10/712025110.db2.gz WABJHAOWVZCTEC-UHFFFAOYSA-N 1 0 248.370 2.186 20 10 BECDRO CO[C@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000706532447 712149064 /nfs/dbraw/zinc/14/90/64/712149064.db2.gz QOEQEKBUFLOVHL-SRVKXCTJSA-N 1 0 233.311 2.147 20 10 BECDRO CC[C@]1(C)COCC[N@@H+]1Cc1ccccc1O ZINC000708286166 712185708 /nfs/dbraw/zinc/18/57/08/712185708.db2.gz DUQICNKWFODKOW-CQSZACIVSA-N 1 0 235.327 2.393 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2CCCOC2)c1O ZINC000709436529 712221940 /nfs/dbraw/zinc/22/19/40/712221940.db2.gz VHTHVCABIAEVDW-CYBMUJFWSA-N 1 0 235.327 2.223 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711488413 712306374 /nfs/dbraw/zinc/30/63/74/712306374.db2.gz DCCXOPCXAVFNKY-SECBINFHSA-N 1 0 227.254 2.323 20 10 BECDRO COc1cccc(C[NH2+]C[C@@H]2C=CCC2)c1O ZINC000711778273 712328820 /nfs/dbraw/zinc/32/88/20/712328820.db2.gz PQBPHOCQFRHRKD-LLVKDONJSA-N 1 0 233.311 2.457 20 10 BECDRO c1csc(SCCC[NH2+]C2CSC2)n1 ZINC000379617453 712390250 /nfs/dbraw/zinc/39/02/50/712390250.db2.gz AONXUBKSHXAYNO-UHFFFAOYSA-N 1 0 246.426 2.330 20 10 BECDRO CCC1([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000379725443 712393172 /nfs/dbraw/zinc/39/31/72/712393172.db2.gz SDBCSFGWJPRLQA-UHFFFAOYSA-N 1 0 235.283 2.153 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000714707005 712496492 /nfs/dbraw/zinc/49/64/92/712496492.db2.gz QHWCMJQBCKUIQG-DRZSPHRISA-N 1 0 247.338 2.394 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715476032 712520846 /nfs/dbraw/zinc/52/08/46/712520846.db2.gz ZTAWBPIGAPZWFW-ZFWWWQNUSA-N 1 0 247.338 2.439 20 10 BECDRO OCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000717633543 712661899 /nfs/dbraw/zinc/66/18/99/712661899.db2.gz WKBWVXUZWRTRJH-GFCCVEGCSA-N 1 0 247.338 2.132 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H](CO)C2CCC2)cc1 ZINC000717614970 712662564 /nfs/dbraw/zinc/66/25/64/712662564.db2.gz QNBWHKHMUVGWBV-OAHLLOKOSA-N 1 0 248.370 2.003 20 10 BECDRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccccc1O ZINC000717825473 712682171 /nfs/dbraw/zinc/68/21/71/712682171.db2.gz PJDLZUCABYPQNO-RKDXNWHRSA-N 1 0 245.269 2.059 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1O ZINC000384933179 712705398 /nfs/dbraw/zinc/70/53/98/712705398.db2.gz SRZRKOXLQCHDJZ-DMDPSCGWSA-N 1 0 235.327 2.356 20 10 BECDRO COc1ccc(C[NH2+]C[C@H]2CCC=CO2)c(O)c1 ZINC000380226725 712833624 /nfs/dbraw/zinc/83/36/24/712833624.db2.gz OPYMSEJIUQJZLM-CYBMUJFWSA-N 1 0 249.310 2.183 20 10 BECDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1O ZINC000380240615 712843334 /nfs/dbraw/zinc/84/33/34/712843334.db2.gz NDUGCIUPLNPXRR-PWSUYJOCSA-N 1 0 223.341 2.376 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000720485465 712846961 /nfs/dbraw/zinc/84/69/61/712846961.db2.gz VGOQUWHJKYKXCY-SNVBAGLBSA-N 1 0 239.290 2.142 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000720940144 712881175 /nfs/dbraw/zinc/88/11/75/712881175.db2.gz MXMXFKJMWHUHAU-SRVKXCTJSA-N 1 0 235.327 2.122 20 10 BECDRO CCSC[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC000127508018 1166024736 /nfs/dbraw/zinc/02/47/36/1166024736.db2.gz SYGSMIBNXZXISF-SECBINFHSA-N 1 0 241.356 2.329 20 10 BECDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC000128442741 1166062899 /nfs/dbraw/zinc/06/28/99/1166062899.db2.gz HUOJUYAULVJSQS-KOLCDFICSA-N 1 0 221.300 2.376 20 10 BECDRO CN(c1ccc(OC2CC2)cc1)C(C)(C)C[NH3+] ZINC001170059428 970112332 /nfs/dbraw/zinc/11/23/32/970112332.db2.gz KHRPKNPHCCISOW-UHFFFAOYSA-N 1 0 234.343 2.401 20 10 BECDRO COc1cc(C[N@H+](C)CC(C)C)c(O)cc1O ZINC001231633916 977651539 /nfs/dbraw/zinc/65/15/39/977651539.db2.gz DEGXPWBSTSDWEI-UHFFFAOYSA-N 1 0 239.315 2.194 20 10 BECDRO Oc1cc(O)c(C[NH+]2CCCC2)cc1Cl ZINC001232259417 977982403 /nfs/dbraw/zinc/98/24/03/977982403.db2.gz YCDAVGUEVBHDTA-UHFFFAOYSA-N 1 0 227.691 2.347 20 10 BECDRO CCc1cccc(C[NH2+]CC2(COC)CC2)c1O ZINC000691491927 1168509771 /nfs/dbraw/zinc/50/97/71/1168509771.db2.gz FJIHODDNIJWWLV-UHFFFAOYSA-N 1 0 249.354 2.471 20 10 BECDRO CCC[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000304223326 1169201629 /nfs/dbraw/zinc/20/16/29/1169201629.db2.gz FSEDLPQRHMXMPK-OAHLLOKOSA-N 1 0 249.354 2.262 20 10 BECDRO CCOCC[C@H](C)[NH2+]Cc1cccc(O)c1O ZINC001172418591 974691276 /nfs/dbraw/zinc/69/12/76/974691276.db2.gz FHWOURSFSADBGD-JTQLQIEISA-N 1 0 239.315 2.003 20 10 BECDRO CC[C@H]1C[N@H+](Cc2ccccc2O)[C@H](C)CO1 ZINC000403885662 971084384 /nfs/dbraw/zinc/08/43/84/971084384.db2.gz PBXOIKSCIMPETB-YPMHNXCESA-N 1 0 235.327 2.392 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2ccccc2O)[C@H](C)CO1 ZINC000403885658 971085687 /nfs/dbraw/zinc/08/56/87/971085687.db2.gz PBXOIKSCIMPETB-DGCLKSJQSA-N 1 0 235.327 2.392 20 10 BECDRO Nc1ccc(OC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001218102642 971597692 /nfs/dbraw/zinc/59/76/92/971597692.db2.gz ATUIQQYYEVIIQG-UHFFFAOYSA-N 1 0 232.327 2.180 20 10 BECDRO Nc1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC001218486176 971831566 /nfs/dbraw/zinc/83/15/66/971831566.db2.gz PKCFTEGSXPSIFK-OAHLLOKOSA-N 1 0 240.306 2.492 20 10 BECDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N)cc2)CCN1C ZINC001345160839 957162224 /nfs/dbraw/zinc/16/22/24/957162224.db2.gz ZYEXCKMJQVDIBC-IUODEOHRSA-N 1 0 247.386 2.183 20 10 BECDRO CC[N@H+](Cc1cnc[nH]1)Cc1ccccc1O ZINC001136871961 972292992 /nfs/dbraw/zinc/29/29/92/972292992.db2.gz WQWUPEOHOOMNCH-UHFFFAOYSA-N 1 0 231.299 2.137 20 10 BECDRO C[N@H+](Cc1ccc(N)cc1)[C@H]1CCSC1 ZINC000037174271 960136207 /nfs/dbraw/zinc/13/62/07/960136207.db2.gz NPXQLHLTSJVKMY-LBPRGKRZSA-N 1 0 222.357 2.206 20 10 BECDRO COc1cc(O)c(C[N@H+](C)C2CC2)c(OC)c1 ZINC001141032199 960221178 /nfs/dbraw/zinc/22/11/78/960221178.db2.gz VIWMBOJGEUMCMF-UHFFFAOYSA-N 1 0 237.299 2.004 20 10 BECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](F)C2)c1O ZINC000689865741 960296944 /nfs/dbraw/zinc/29/69/44/960296944.db2.gz ZGHSITGFWIJHOI-LLVKDONJSA-N 1 0 239.290 2.335 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c1 ZINC001140617698 960458389 /nfs/dbraw/zinc/45/83/89/960458389.db2.gz YBKXZAIVSRCHDS-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c1 ZINC001140617697 960462193 /nfs/dbraw/zinc/46/21/93/960462193.db2.gz YBKXZAIVSRCHDS-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CC3(CSC3)C2)c1 ZINC001140623340 960464209 /nfs/dbraw/zinc/46/42/09/960464209.db2.gz MILHGEMGXGEUDR-UHFFFAOYSA-N 1 0 235.352 2.249 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001140623409 960465490 /nfs/dbraw/zinc/46/54/90/960465490.db2.gz RAQVZOIOXZYXRI-XYYAHUGASA-N 1 0 235.302 2.348 20 10 BECDRO CO[C@H](C)C1C[NH+](Cc2cc(C)ccc2O)C1 ZINC001140623809 960466852 /nfs/dbraw/zinc/46/68/52/960466852.db2.gz SJLGTNJQPDWJOJ-LLVKDONJSA-N 1 0 235.327 2.167 20 10 BECDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H]2C)c1O ZINC001140744434 960543935 /nfs/dbraw/zinc/54/39/35/960543935.db2.gz XEWZXNFAQNGRIC-QMMMGPOBSA-N 1 0 207.273 2.000 20 10 BECDRO Cc1c(O)ccc(C[N@H+]2CCC[C@H]2C)c1O ZINC001140742195 960545618 /nfs/dbraw/zinc/54/56/18/960545618.db2.gz JUHAXOPTADDUEG-SECBINFHSA-N 1 0 221.300 2.391 20 10 BECDRO Cc1c(O)ccc(C[N@H+]2C[C@H](F)C[C@H]2C)c1O ZINC001140742494 960546199 /nfs/dbraw/zinc/54/61/99/960546199.db2.gz PNCWOCLOQHXNEI-LDYMZIIASA-N 1 0 239.290 2.339 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(O)c1 ZINC001140947873 960750225 /nfs/dbraw/zinc/75/02/25/960750225.db2.gz JECQLHVQXMIHJL-HNNXBMFYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1ccc(C[NH+]2CC3(CSC3)C2)c(O)c1 ZINC001140953821 960755769 /nfs/dbraw/zinc/75/57/69/960755769.db2.gz HDIQPXVAXZCHLK-UHFFFAOYSA-N 1 0 235.352 2.249 20 10 BECDRO CO[C@@H](C)C1C[NH+](Cc2ccc(C)cc2O)C1 ZINC001140954790 960758925 /nfs/dbraw/zinc/75/89/25/960758925.db2.gz ZESIDAIQHBRHKD-NSHDSACASA-N 1 0 235.327 2.167 20 10 BECDRO Cc1ccc(C[N@H+](C)Cc2ccncn2)c(O)c1 ZINC001140953548 960762608 /nfs/dbraw/zinc/76/26/08/960762608.db2.gz BERARRLIMJABRL-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO CC[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037238482 960778801 /nfs/dbraw/zinc/77/88/01/960778801.db2.gz JKWDHMKINFODDO-AWEZNQCLSA-N 1 0 248.370 2.147 20 10 BECDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140895 960885387 /nfs/dbraw/zinc/88/53/87/960885387.db2.gz REECWXHLSZIUPT-LBPRGKRZSA-N 1 0 246.354 2.357 20 10 BECDRO CC1CC([N@H+](C)Cc2cc(O)ccc2O)C1 ZINC001141156753 960889700 /nfs/dbraw/zinc/88/97/00/960889700.db2.gz UCWMFOOEDQKNCQ-UHFFFAOYSA-N 1 0 221.300 2.328 20 10 BECDRO C[N@H+](Cc1cccnc1)Cc1cc(O)ccc1O ZINC001141156444 960890264 /nfs/dbraw/zinc/89/02/64/960890264.db2.gz YAKRHTDKGKIOCB-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO COc1ccc(CN[C@H]2CCC[NH2+][C@@H]2C)cc1C ZINC000841064740 961245823 /nfs/dbraw/zinc/24/58/23/961245823.db2.gz INGPZPYCQZOOCY-OCCSQVGLSA-N 1 0 248.370 2.234 20 10 BECDRO Oc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1O ZINC001167903319 961699780 /nfs/dbraw/zinc/69/97/80/961699780.db2.gz UVTMNHPECUCUPJ-ZSBIGDGJSA-N 1 0 233.311 2.028 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1C ZINC000402008996 961702178 /nfs/dbraw/zinc/70/21/78/961702178.db2.gz APBFRICPYWRHME-WCQYABFASA-N 1 0 235.327 2.271 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)C2CCOCC2)c1 ZINC000132315942 962409835 /nfs/dbraw/zinc/40/98/35/962409835.db2.gz XCEMJDZBULRGKY-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(C[NH2+]CC2CSC2)c1O ZINC000697978286 964831816 /nfs/dbraw/zinc/83/18/16/964831816.db2.gz GTDDDMIQCCTIBW-UHFFFAOYSA-N 1 0 223.341 2.153 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000224886152 965196950 /nfs/dbraw/zinc/19/69/50/965196950.db2.gz OTBOHBLBBRMDBC-GXTWGEPZSA-N 1 0 248.370 2.273 20 10 BECDRO CN(C)c1ccc(C[NH2+]CCOC2CCC2)cc1 ZINC000690700669 965315661 /nfs/dbraw/zinc/31/56/61/965315661.db2.gz HPAYWEFLNJJYNQ-UHFFFAOYSA-N 1 0 248.370 2.411 20 10 BECDRO COc1cccc(C[N@@H+]2CCC[C@@H](F)C2)c1O ZINC000689902886 965454708 /nfs/dbraw/zinc/45/47/08/965454708.db2.gz GLDDWFWKEXBHQN-LLVKDONJSA-N 1 0 239.290 2.335 20 10 BECDRO Cc1cc(N2CC[C@@H]([NH3+])C2)ccc1OC(C)C ZINC001164286042 965830056 /nfs/dbraw/zinc/83/00/56/965830056.db2.gz DDGURPRHXWLSPO-GFCCVEGCSA-N 1 0 234.343 2.320 20 10 BECDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccccc1O ZINC000699474966 965904886 /nfs/dbraw/zinc/90/48/86/965904886.db2.gz LKBXIJOKBYGEKW-JBLDHEPKSA-N 1 0 221.300 2.078 20 10 BECDRO COc1ccc(C[NH2+][C@H]2COC[C@H]2C)cc1C ZINC000699791454 966092149 /nfs/dbraw/zinc/09/21/49/966092149.db2.gz UCTBFUXEMDXPSP-YPMHNXCESA-N 1 0 235.327 2.128 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000699901416 966173436 /nfs/dbraw/zinc/17/34/36/966173436.db2.gz IJSZOLUMJLMLOD-GWCFXTLKSA-N 1 0 235.327 2.079 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2COC[C@@H]2C)c1O ZINC000699901420 966174058 /nfs/dbraw/zinc/17/40/58/966174058.db2.gz IJSZOLUMJLMLOD-GXFFZTMASA-N 1 0 235.327 2.079 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC2(CC2)C1 ZINC001203550226 966679414 /nfs/dbraw/zinc/67/94/14/966679414.db2.gz NAOWGXVHEQABPW-UHFFFAOYSA-N 1 0 203.285 2.378 20 10 BECDRO CC[N@H+](CCn1ccnc1)Cc1ccccc1O ZINC001203561288 966688047 /nfs/dbraw/zinc/68/80/47/966688047.db2.gz PBBLUPRWLKHNQO-UHFFFAOYSA-N 1 0 245.326 2.111 20 10 BECDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC001203558464 966688837 /nfs/dbraw/zinc/68/88/37/966688837.db2.gz IAINNNLQDZMWNU-ZDUSSCGKSA-N 1 0 233.311 2.336 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCc2cccnc2C1 ZINC001203558486 966692094 /nfs/dbraw/zinc/69/20/94/966692094.db2.gz JSFGXNUOEGKTIS-UHFFFAOYSA-N 1 0 240.306 2.346 20 10 BECDRO COc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c(O)c1 ZINC001203621317 966711388 /nfs/dbraw/zinc/71/13/88/966711388.db2.gz SZMHHCCHOKYUQV-KOLCDFICSA-N 1 0 239.290 2.333 20 10 BECDRO COc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC001203634752 966713746 /nfs/dbraw/zinc/71/37/46/966713746.db2.gz UDIPMOJVYGVEBW-GXFFZTMASA-N 1 0 233.311 2.385 20 10 BECDRO CC1(C)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879145 966805113 /nfs/dbraw/zinc/80/51/13/966805113.db2.gz MNRMDDDXBVPUJO-UHFFFAOYSA-N 1 0 221.300 2.330 20 10 BECDRO Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1O ZINC001203874109 966806936 /nfs/dbraw/zinc/80/69/36/966806936.db2.gz OIBBSSFYJCUDCV-TXEJJXNPSA-N 1 0 233.311 2.330 20 10 BECDRO Oc1ccc(C[N@@H+]2CC3CCC2CC3)cc1O ZINC001203880450 966810660 /nfs/dbraw/zinc/81/06/60/966810660.db2.gz BGBMAZKUIJZDPR-UHFFFAOYSA-N 1 0 233.311 2.472 20 10 BECDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203936292 966824148 /nfs/dbraw/zinc/82/41/48/966824148.db2.gz CFNLKUOHZMYTAJ-SWLSCSKDSA-N 1 0 248.370 2.098 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)cc1 ZINC001203930703 966824376 /nfs/dbraw/zinc/82/43/76/966824376.db2.gz FCFMYXDQMXXDHE-HUUCEWRRSA-N 1 0 246.354 2.116 20 10 BECDRO CO[C@@H](C)C1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935781 966825704 /nfs/dbraw/zinc/82/57/04/966825704.db2.gz DESQEKJWYHKTPL-LBPRGKRZSA-N 1 0 248.370 2.219 20 10 BECDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203936289 966825827 /nfs/dbraw/zinc/82/58/27/966825827.db2.gz CFNLKUOHZMYTAJ-DOMZBBRYSA-N 1 0 248.370 2.098 20 10 BECDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccccc1O ZINC001203550121 966933572 /nfs/dbraw/zinc/93/35/72/966933572.db2.gz IMSYQTJBCPEOQD-KOLCDFICSA-N 1 0 209.264 2.325 20 10 BECDRO CC(C)(C)c1ccc(CN2CC(C)([NH3+])C2)c(O)c1 ZINC001204993796 967279079 /nfs/dbraw/zinc/27/90/79/967279079.db2.gz MYCAWFVQYVTMGM-UHFFFAOYSA-N 1 0 248.370 2.223 20 10 BECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](O)C2)c1O ZINC001143103296 967472965 /nfs/dbraw/zinc/47/29/65/967472965.db2.gz AAZCQSAQKUXDMN-GFCCVEGCSA-N 1 0 249.354 2.256 20 10 BECDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000694348287 967805948 /nfs/dbraw/zinc/80/59/48/967805948.db2.gz KPTYAOGMZHMBOL-NEPJUHHUSA-N 1 0 241.718 2.313 20 10 BECDRO Cc1ccc(C)c(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC001205872361 967867703 /nfs/dbraw/zinc/86/77/03/967867703.db2.gz LMLMGFNUSGAJKD-RISCZKNCSA-N 1 0 248.370 2.178 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640419 968427151 /nfs/dbraw/zinc/42/71/51/968427151.db2.gz JQNYGFKGKKBERE-ZDUSSCGKSA-N 1 0 248.370 2.261 20 10 BECDRO Oc1cccc2c1C[N@H+](C[C@H]1CCCOC1)CC2 ZINC001207471334 968787709 /nfs/dbraw/zinc/78/77/09/968787709.db2.gz GBZFNXHBDLPBEM-GFCCVEGCSA-N 1 0 247.338 2.177 20 10 BECDRO Oc1cccc2c1C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC001208883686 969270980 /nfs/dbraw/zinc/27/09/80/969270980.db2.gz XQPRTFBNFRTNCH-CYBMUJFWSA-N 1 0 245.322 2.443 20 10 BECDRO Cc1cc(N)[nH+]cc1Nc1ccc(N)cc1 ZINC001209969550 969736915 /nfs/dbraw/zinc/73/69/15/969736915.db2.gz LMYUFMJUQYGFPD-UHFFFAOYSA-N 1 0 214.272 2.298 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000691459586 969960731 /nfs/dbraw/zinc/96/07/31/969960731.db2.gz KRJZEJBKUCZGGA-ZIAGYGMSSA-N 1 0 249.354 2.348 20 10 BECDRO CCc1cccc(C[NH2+]C2CCOCC2)c1O ZINC000691484371 970009335 /nfs/dbraw/zinc/00/93/35/970009335.db2.gz UICPMKMNKUMGDV-UHFFFAOYSA-N 1 0 235.327 2.223 20 10 BECDRO COc1ccc(N(C)C(C)(C)C[NH3+])c2cc[nH]c21 ZINC001170059218 970109168 /nfs/dbraw/zinc/10/91/68/970109168.db2.gz QAYKFJWXMYAOKL-UHFFFAOYSA-N 1 0 247.342 2.350 20 10 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C[NH+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237052402 979810915 /nfs/dbraw/zinc/81/09/15/979810915.db2.gz XKTOLHCPAVSBHB-UHFFFAOYSA-N 1 0 249.232 2.395 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001237486240 979911742 /nfs/dbraw/zinc/91/17/42/979911742.db2.gz ZKXIUOMILAIBOL-DOMZBBRYSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237486186 979911983 /nfs/dbraw/zinc/91/19/83/979911983.db2.gz WXVOZOSIQGSVQY-GMXVVIOVSA-N 1 0 235.302 2.490 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001237486175 979912948 /nfs/dbraw/zinc/91/29/48/979912948.db2.gz WMJRBALEKAZODZ-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC001237487136 979915497 /nfs/dbraw/zinc/91/54/97/979915497.db2.gz GSCRVIPWGAUKRD-VXGBXAGGSA-N 1 0 235.327 2.046 20 10 BECDRO CO[C@H](C)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC001237494402 979916843 /nfs/dbraw/zinc/91/68/43/979916843.db2.gz HYNXWFQVRQTDFP-LLVKDONJSA-N 1 0 235.327 2.167 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BECDRO CCC[C@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001252789016 983886088 /nfs/dbraw/zinc/88/60/88/983886088.db2.gz MHYKCTRCTNMHQT-ZDUSSCGKSA-N 1 0 237.343 2.375 20 10 BECDRO CN(C)c1ccc(/C=C\CNC(C)(C)C[NH3+])cc1 ZINC001578425473 985056206 /nfs/dbraw/zinc/05/62/06/985056206.db2.gz FEOPUQBKJIZHQA-WAYWQWQTSA-N 1 0 247.386 2.093 20 10 BECDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000687213444 985268216 /nfs/dbraw/zinc/26/82/16/985268216.db2.gz WABOOYGSNSVHGW-WCQYABFASA-N 1 0 235.327 2.392 20 10 BECDRO CCc1cccc(C[N@H+](C)C[C@@H]2CCOC2)c1O ZINC000692116626 985404910 /nfs/dbraw/zinc/40/49/10/985404910.db2.gz UVNHFWMSJDAYIS-LBPRGKRZSA-N 1 0 249.354 2.423 20 10 BECDRO CCc1cccc(C[N@@H+]2CCOC[C@@H](C)C2)c1O ZINC000692112848 985410447 /nfs/dbraw/zinc/41/04/47/985410447.db2.gz BPXBSZSTIBNBCL-LBPRGKRZSA-N 1 0 249.354 2.423 20 10 BECDRO CCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1O ZINC000692110485 985413167 /nfs/dbraw/zinc/41/31/67/985413167.db2.gz XDSKPBDBUPMCQP-LLVKDONJSA-N 1 0 235.327 2.175 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000688266542 985597925 /nfs/dbraw/zinc/59/79/25/985597925.db2.gz FHTVORSHUPRFIU-LBPRGKRZSA-N 1 0 233.311 2.193 20 10 BECDRO CCn1cc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000688472573 985653542 /nfs/dbraw/zinc/65/35/42/985653542.db2.gz DXOREACGPCACMU-NSHDSACASA-N 1 0 245.326 2.459 20 10 BECDRO C[C@H](O)C(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001461793276 986155997 /nfs/dbraw/zinc/15/59/97/986155997.db2.gz FGNLAPDLVBTISZ-NSHDSACASA-N 1 0 249.354 2.118 20 10 BECDRO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C)c1O ZINC000691461452 987284585 /nfs/dbraw/zinc/28/45/85/987284585.db2.gz VIAGGMBDWYCVJX-AWEZNQCLSA-N 1 0 248.370 2.138 20 10 BECDRO C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC001325318964 989159360 /nfs/dbraw/zinc/15/93/60/989159360.db2.gz ICLOONQUBOFETC-VIFPVBQESA-N 1 0 242.750 2.133 20 10 BECDRO C[C@@H](CO)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001325661084 989223940 /nfs/dbraw/zinc/22/39/40/989223940.db2.gz XZXZVRYZNTWCKH-ZDUSSCGKSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)CN ZINC001325756133 989251717 /nfs/dbraw/zinc/25/17/17/989251717.db2.gz QCAPTHDKOBVPQG-MXWKQRLJSA-N 1 0 234.343 2.186 20 10 BECDRO C[N@H+](CC1=CCSC1)Cc1ccc(N)cc1 ZINC001120371689 989646544 /nfs/dbraw/zinc/64/65/44/989646544.db2.gz NPUIYKXBVMUCKI-UHFFFAOYSA-N 1 0 234.368 2.374 20 10 BECDRO COCC1C[NH+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139669828 990798818 /nfs/dbraw/zinc/79/88/18/990798818.db2.gz PRAUFTMKXAGHBB-UHFFFAOYSA-N 1 0 248.370 2.139 20 10 BECDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C1COC1 ZINC001139673560 991311098 /nfs/dbraw/zinc/31/10/98/991311098.db2.gz SLUHBFQGVCKYOX-UHFFFAOYSA-N 1 0 248.370 2.282 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140055612 991509163 /nfs/dbraw/zinc/50/91/63/991509163.db2.gz NBGIYMKTPVIJKI-KPXOXKRLSA-N 1 0 239.265 2.464 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178783 991548521 /nfs/dbraw/zinc/54/85/21/991548521.db2.gz XNVRKHGVICNZDN-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc(C)c(C[NH+]2CC(C3COC3)C2)c1O ZINC001140178660 991548540 /nfs/dbraw/zinc/54/85/40/991548540.db2.gz SVONTHQCBQIOQT-UHFFFAOYSA-N 1 0 247.338 2.087 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1O ZINC001140178604 991548860 /nfs/dbraw/zinc/54/88/60/991548860.db2.gz QIOOGXQLACVVSJ-OLZOCXBDSA-N 1 0 249.354 2.354 20 10 BECDRO COC1(C)C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178311 991549834 /nfs/dbraw/zinc/54/98/34/991549834.db2.gz HTARRFURZQXICG-UHFFFAOYSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc(C)c(C[NH+]2CC=CC2)c1O ZINC001140178278 991550140 /nfs/dbraw/zinc/55/01/40/991550140.db2.gz GSJVACNJJIXWGW-UHFFFAOYSA-N 1 0 203.285 2.381 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](C)(CO)C2)c1O ZINC001140178832 991551249 /nfs/dbraw/zinc/55/12/49/991551249.db2.gz ZHJZJGFSJQGMET-HNNXBMFYSA-N 1 0 249.354 2.213 20 10 BECDRO C[N@H+](Cc1ccccc1O)Cc1ccncc1O ZINC001140280134 991601745 /nfs/dbraw/zinc/60/17/45/991601745.db2.gz CAXIBNQWSPFYTF-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO C[N@H+](Cc1ccc(Cl)cc1O)[C@H]1CCOC1 ZINC001140466645 991643376 /nfs/dbraw/zinc/64/33/76/991643376.db2.gz JDOXXGKWUSRFPV-NSHDSACASA-N 1 0 241.718 2.266 20 10 BECDRO OC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140462261 991643651 /nfs/dbraw/zinc/64/36/51/991643651.db2.gz COAFPFHAYSADAS-LLVKDONJSA-N 1 0 241.718 2.002 20 10 BECDRO C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC001261424426 992292785 /nfs/dbraw/zinc/29/27/85/992292785.db2.gz UOBYBYZAODRYRV-UWVGGRQHSA-N 1 0 240.322 2.180 20 10 BECDRO C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC001261424428 992295097 /nfs/dbraw/zinc/29/50/97/992295097.db2.gz UOBYBYZAODRYRV-ZJUUUORDSA-N 1 0 240.322 2.180 20 10 BECDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001262487712 992892905 /nfs/dbraw/zinc/89/29/05/992892905.db2.gz BUERBMQKPWXHSQ-TYNCELHUSA-N 1 0 248.370 2.250 20 10 BECDRO CN(C)c1ccc(CNc2cc[nH+]cc2)cc1F ZINC001262671606 993013167 /nfs/dbraw/zinc/01/31/67/993013167.db2.gz MCWBKYIQXTZDTH-UHFFFAOYSA-N 1 0 245.301 2.321 20 10 BECDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(N)cc2)C1 ZINC001575697089 993094780 /nfs/dbraw/zinc/09/47/80/993094780.db2.gz PBUSYPPZSVBGLN-HNNXBMFYSA-N 1 0 247.386 2.183 20 10 BECDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N)cc2)C1 ZINC001575799731 993107255 /nfs/dbraw/zinc/10/72/55/993107255.db2.gz YBEPGSVHCBOENK-OKILXGFUSA-N 1 0 234.343 2.314 20 10 BECDRO CC(C)c1ccc(O)c(CN2CC[NH2+]C[C@@H]2C)c1 ZINC001575858783 993114267 /nfs/dbraw/zinc/11/42/67/993114267.db2.gz OSAPTVMYXARHDW-LBPRGKRZSA-N 1 0 248.370 2.309 20 10 BECDRO C[C@H]1CCCN(CC[NH2+]Cc2ccc(N)cc2)C1 ZINC001576709132 993400987 /nfs/dbraw/zinc/40/09/87/993400987.db2.gz OADFDIRQEMDMIX-ZDUSSCGKSA-N 1 0 247.386 2.090 20 10 BECDRO CC[C@](C)(C[NH2+]Cc1ccc(N)cc1)OC ZINC001576949551 993464115 /nfs/dbraw/zinc/46/41/15/993464115.db2.gz LHRCETKVXDHEHU-CYBMUJFWSA-N 1 0 222.332 2.174 20 10 BECDRO C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1O ZINC000392793593 993882238 /nfs/dbraw/zinc/88/22/38/993882238.db2.gz MROIMLGDXNEFQX-SNVBAGLBSA-N 1 0 244.294 2.344 20 10 BECDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N)cc2)C[C@H]1C ZINC001336116473 994954060 /nfs/dbraw/zinc/95/40/60/994954060.db2.gz FFZNMKDNLIXNQP-OLZOCXBDSA-N 1 0 247.386 2.183 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@H]1O ZINC001337780948 995221621 /nfs/dbraw/zinc/22/16/21/995221621.db2.gz OBXQXCVOFZVDBY-WHOHXGKFSA-N 1 0 247.338 2.362 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)CO1 ZINC001621421441 1170806331 /nfs/dbraw/zinc/80/63/31/1170806331.db2.gz URMFCJKJROABRN-GZMMTYOYSA-N 1 0 241.718 2.313 20 10 BECDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037196173 1170936217 /nfs/dbraw/zinc/93/62/17/1170936217.db2.gz RWBOMLFJUBZZHK-ZDUSSCGKSA-N 1 0 248.370 2.411 20 10 BECDRO CCC(CC)(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000053066730 168330455 /nfs/dbraw/zinc/33/04/55/168330455.db2.gz FWEUEDSYSQOKSB-UHFFFAOYSA-N 1 0 249.354 2.262 20 10 BECDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)n(C)n1 ZINC000284513448 178030620 /nfs/dbraw/zinc/03/06/20/178030620.db2.gz WFMADDJWWDZNLG-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cc(O)c(C[N@H+]2CCOC[C@H](C)C2)cc1C ZINC000372230876 178195479 /nfs/dbraw/zinc/19/54/79/178195479.db2.gz HSZUFOCPQLZJRF-LLVKDONJSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1C ZINC000280404125 178195778 /nfs/dbraw/zinc/19/57/78/178195778.db2.gz HJXBJFRIONOYMP-CQSZACIVSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(O)c(C[N@H+](C)CCCCO)cc1C ZINC000276625403 178196008 /nfs/dbraw/zinc/19/60/08/178196008.db2.gz INVXUOHTQMVSJA-UHFFFAOYSA-N 1 0 237.343 2.213 20 10 BECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1C ZINC000191719014 178196095 /nfs/dbraw/zinc/19/60/95/178196095.db2.gz PPZUNCASAQCUSO-OCCSQVGLSA-N 1 0 249.354 2.069 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1C ZINC000188829779 178197271 /nfs/dbraw/zinc/19/72/71/178197271.db2.gz RPJVHIXYONRMCG-TZMCWYRMSA-N 1 0 249.354 2.260 20 10 BECDRO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000294928158 398264804 /nfs/dbraw/zinc/26/48/04/398264804.db2.gz GAVHQGVIORQNRM-WFASDCNBSA-N 1 0 248.370 2.098 20 10 BECDRO C[C@H]([NH2+]CCCn1cccn1)c1ccccc1O ZINC000136420358 398342341 /nfs/dbraw/zinc/34/23/41/398342341.db2.gz FEBHKPYEGRJDJR-LBPRGKRZSA-N 1 0 245.326 2.330 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCSC2)cc1 ZINC000020146011 342972132 /nfs/dbraw/zinc/97/21/32/342972132.db2.gz RYVJWGBCFHHQSF-GFCCVEGCSA-N 1 0 236.384 2.348 20 10 BECDRO CCN(CC)CC[NH2+][C@H](C)c1ccccc1O ZINC000019919342 342963244 /nfs/dbraw/zinc/96/32/44/342963244.db2.gz YYMLPDJNEGIMSG-GFCCVEGCSA-N 1 0 236.359 2.385 20 10 BECDRO CCOc1cccc(C[NH2+]C2CC2)c1O ZINC000022145188 343042218 /nfs/dbraw/zinc/04/22/18/343042218.db2.gz TUIDQXJGPARGSF-UHFFFAOYSA-N 1 0 207.273 2.043 20 10 BECDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000038011189 343365707 /nfs/dbraw/zinc/36/57/07/343365707.db2.gz CKCUQOPQLBFZFH-JTQLQIEISA-N 1 0 231.299 2.275 20 10 BECDRO CC[C@H]([NH2+]C[C@H](C)N(C)C)c1ccccc1O ZINC000038088665 343370394 /nfs/dbraw/zinc/37/03/94/343370394.db2.gz JKEBYISQFMJCLO-AAEUAGOBSA-N 1 0 236.359 2.383 20 10 BECDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccccc1O ZINC000037153506 343336873 /nfs/dbraw/zinc/33/68/73/343336873.db2.gz GMCQOKTUFRXJMW-ZDUSSCGKSA-N 1 0 248.370 2.356 20 10 BECDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccccc1O ZINC000037155765 343337548 /nfs/dbraw/zinc/33/75/48/343337548.db2.gz IKHXLZBOOKRLPN-RYUDHWBXSA-N 1 0 245.326 2.328 20 10 BECDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000194633029 192089264 /nfs/dbraw/zinc/08/92/64/192089264.db2.gz JKTAHWNNDTXRKF-GFCCVEGCSA-N 1 0 241.306 2.028 20 10 BECDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1O ZINC000180425828 179078990 /nfs/dbraw/zinc/07/89/90/179078990.db2.gz LXLFOGUOZCEUBU-CQSZACIVSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@]23CCOC3)c1O ZINC000310969771 179076300 /nfs/dbraw/zinc/07/63/00/179076300.db2.gz PGBBCVCFUUADFI-OAHLLOKOSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1O ZINC000292733046 179082284 /nfs/dbraw/zinc/08/22/84/179082284.db2.gz GLQKADMQSPDHLY-AAEUAGOBSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cccc(C[NH2+]CCN2CC=CCC2)c1O ZINC000279806300 179092216 /nfs/dbraw/zinc/09/22/16/179092216.db2.gz OATXFESYCRYNKW-UHFFFAOYSA-N 1 0 246.354 2.052 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H](C)CCCO)c1O ZINC000294692141 179092362 /nfs/dbraw/zinc/09/23/62/179092362.db2.gz CJIMVENUDKYCBC-NSHDSACASA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2C[C@@H]2C)c1O ZINC000162517588 179093605 /nfs/dbraw/zinc/09/36/05/179093605.db2.gz KPGSEGBANNYWPN-JQWIXIFHSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1O ZINC000294026759 179093826 /nfs/dbraw/zinc/09/38/26/179093826.db2.gz NWMQCKDFPXLBOM-WFASDCNBSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1O ZINC000289863764 179094159 /nfs/dbraw/zinc/09/41/59/179094159.db2.gz VMGLGBWIMILOOA-OLZOCXBDSA-N 1 0 249.354 2.463 20 10 BECDRO Cc1cccc(C[NH2+]Cc2cccnc2)c1O ZINC000083356158 179096780 /nfs/dbraw/zinc/09/67/80/179096780.db2.gz WMVNVTDSECBSHL-UHFFFAOYSA-N 1 0 228.295 2.385 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](CO)CC(C)C)c1O ZINC000124734585 179098725 /nfs/dbraw/zinc/09/87/25/179098725.db2.gz XYHJOTXJUQMCRN-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1nc([C@@H](C)N(C)Cc2ccccc2O)no1 ZINC000278542576 180033677 /nfs/dbraw/zinc/03/36/77/180033677.db2.gz GLZWMVHCLARWBE-SECBINFHSA-N 1 0 247.298 2.277 20 10 BECDRO CC[N@H+](Cc1cccc(Cl)c1[O-])[C@H](C)CO ZINC000292815751 352329959 /nfs/dbraw/zinc/32/99/59/352329959.db2.gz PGGFAXNHBYDYRV-SECBINFHSA-N 1 0 243.734 2.248 20 10 BECDRO CC(C)(O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000274711551 188092290 /nfs/dbraw/zinc/09/22/90/188092290.db2.gz ADUDBMVQVQWKLD-UHFFFAOYSA-N 1 0 243.734 2.296 20 10 BECDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000278779877 188095342 /nfs/dbraw/zinc/09/53/42/188095342.db2.gz VODNWIHGBYUNBY-AWEZNQCLSA-N 1 0 249.354 2.118 20 10 BECDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccccc1O ZINC000228794629 188184982 /nfs/dbraw/zinc/18/49/82/188184982.db2.gz CVDDRKODJYBLLS-YPMHNXCESA-N 1 0 237.343 2.450 20 10 BECDRO COc1ccc(C[NH2+]CCC(C)(C)O)cc1C ZINC000274712454 188200900 /nfs/dbraw/zinc/20/09/00/188200900.db2.gz AOHCUMIGIJVHQD-UHFFFAOYSA-N 1 0 237.343 2.254 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)CCO)c1 ZINC000231400039 353603486 /nfs/dbraw/zinc/60/34/86/353603486.db2.gz IBRTUPBLNOEAHQ-UHFFFAOYSA-N 1 0 237.343 2.199 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)O ZINC000292900964 359322768 /nfs/dbraw/zinc/32/27/68/359322768.db2.gz DQQGCMBLJWQMGO-CQSZACIVSA-N 1 0 249.354 2.261 20 10 BECDRO CC1(C)[C@@H]([NH2+]Cc2ccccc2O)[C@@H]2CCO[C@@H]21 ZINC000134994645 364421440 /nfs/dbraw/zinc/42/14/40/364421440.db2.gz AVXKSXVKZQUNDO-UBHSHLNASA-N 1 0 247.338 2.295 20 10 BECDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296252931 364783808 /nfs/dbraw/zinc/78/38/08/364783808.db2.gz BHXKYNJDIDZYKB-WCFLWFBJSA-N 1 0 247.338 2.129 20 10 BECDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296587153 364785709 /nfs/dbraw/zinc/78/57/09/364785709.db2.gz WMARVVUNTSGSAR-KGYLQXTDSA-N 1 0 247.338 2.394 20 10 BECDRO CO[C@H](C[NH2+]Cc1ccccc1O)C(C)C ZINC000072924689 368785731 /nfs/dbraw/zinc/78/57/31/368785731.db2.gz DSSOCPUPZQNCKY-CYBMUJFWSA-N 1 0 223.316 2.153 20 10 BECDRO OC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000096479247 183020684 /nfs/dbraw/zinc/02/06/84/183020684.db2.gz LHESAQYJUCGMET-UHFFFAOYSA-N 1 0 247.338 2.016 20 10 BECDRO OCCCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000083372154 183047217 /nfs/dbraw/zinc/04/72/17/183047217.db2.gz KLEKZNGSEHDSMD-UHFFFAOYSA-N 1 0 243.734 2.298 20 10 BECDRO OCC[C@@H]([NH2+]Cc1ccccc1O)c1ccco1 ZINC000184520012 183091459 /nfs/dbraw/zinc/09/14/59/183091459.db2.gz HZRKUUXEOSVQDA-GFCCVEGCSA-N 1 0 247.294 2.199 20 10 BECDRO CCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000160028977 169081050 /nfs/dbraw/zinc/08/10/50/169081050.db2.gz CLOPTOXAGLCBBW-UHFFFAOYSA-N 1 0 239.315 2.251 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CC1CCOCC1 ZINC000226589417 183274745 /nfs/dbraw/zinc/27/47/45/183274745.db2.gz ASZTXCNFCJCGBS-UHFFFAOYSA-N 1 0 239.290 2.048 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000226586501 183275790 /nfs/dbraw/zinc/27/57/90/183275790.db2.gz GXDSIXRVDYDCDH-GFCCVEGCSA-N 1 0 239.290 2.190 20 10 BECDRO Oc1cccc(C[NH2+]C2CCCC2)c1O ZINC000041049379 183290096 /nfs/dbraw/zinc/29/00/96/183290096.db2.gz XZAQPWRQKHCNNI-UHFFFAOYSA-N 1 0 207.273 2.130 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)CC2 ZINC000296294916 183298005 /nfs/dbraw/zinc/29/80/05/183298005.db2.gz DIRAZGAHBKMXAR-CYZMBNFOSA-N 1 0 247.338 2.130 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)CC2 ZINC000296294939 183298289 /nfs/dbraw/zinc/29/82/89/183298289.db2.gz DIRAZGAHBKMXAR-WCFLWFBJSA-N 1 0 247.338 2.130 20 10 BECDRO Oc1ccccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000293903224 183301332 /nfs/dbraw/zinc/30/13/32/183301332.db2.gz LFOUEJKYCYWWQC-CQSZACIVSA-N 1 0 247.338 2.272 20 10 BECDRO Oc1ccccc1C[NH2+]CCCOCC1CC1 ZINC000020190500 183302440 /nfs/dbraw/zinc/30/24/40/183302440.db2.gz JYKOGNMMEKBVKV-UHFFFAOYSA-N 1 0 235.327 2.299 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361050124 183302471 /nfs/dbraw/zinc/30/24/71/183302471.db2.gz FUQBVQJKWDANNP-GXTWGEPZSA-N 1 0 247.338 2.251 20 10 BECDRO c1cc(C[NH2+]CC2CCOCC2)cc2c1OCC2 ZINC000070161016 183367517 /nfs/dbraw/zinc/36/75/17/183367517.db2.gz LBVCPEMJXNFVOJ-UHFFFAOYSA-N 1 0 247.338 2.138 20 10 BECDRO c1cc(C[NH2+]C[C@H]2CCCOC2)cc2c1OCC2 ZINC000038045167 183367730 /nfs/dbraw/zinc/36/77/30/183367730.db2.gz GVRASQPIFAVEJC-CYBMUJFWSA-N 1 0 247.338 2.138 20 10 BECDRO c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)cc2c1OCC2 ZINC000152913327 183369336 /nfs/dbraw/zinc/36/93/36/183369336.db2.gz BWKKEHMITVNAID-IPYPFGDCSA-N 1 0 245.322 2.031 20 10 BECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CO)cc1 ZINC000035602371 383863708 /nfs/dbraw/zinc/86/37/08/383863708.db2.gz ZDCKJAGIUDSUOQ-LBPRGKRZSA-N 1 0 236.359 2.003 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C)CC2)c1 ZINC000035629057 383864902 /nfs/dbraw/zinc/86/49/02/383864902.db2.gz UZSAUHOJGXXZKX-GFCCVEGCSA-N 1 0 248.370 2.445 20 10 BECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000037362951 383975124 /nfs/dbraw/zinc/97/51/24/383975124.db2.gz RHIRFUCKRBQEQM-SMDDNHRTSA-N 1 0 247.338 2.279 20 10 BECDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccccc1O ZINC000038011190 384053489 /nfs/dbraw/zinc/05/34/89/384053489.db2.gz CKCUQOPQLBFZFH-SNVBAGLBSA-N 1 0 231.299 2.275 20 10 BECDRO CC[C@H](COC)[NH2+]Cc1cc(C)ccc1O ZINC000070625046 384124982 /nfs/dbraw/zinc/12/49/82/384124982.db2.gz ORQIKCXEQRUNGZ-GFCCVEGCSA-N 1 0 223.316 2.215 20 10 BECDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000040773745 384163408 /nfs/dbraw/zinc/16/34/08/384163408.db2.gz LMHYWINLSCFBQN-RYUDHWBXSA-N 1 0 237.343 2.450 20 10 BECDRO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093417620 384236013 /nfs/dbraw/zinc/23/60/13/384236013.db2.gz ODIYBPQUZMKDTA-OLZOCXBDSA-N 1 0 248.370 2.362 20 10 BECDRO C[C@@H](CCCCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000272391882 384264443 /nfs/dbraw/zinc/26/44/43/384264443.db2.gz IYPOKWRIOXNDMV-LBPRGKRZSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000094617627 384306811 /nfs/dbraw/zinc/30/68/11/384306811.db2.gz KGWNBDVENJSAGH-UWVGGRQHSA-N 1 0 239.290 2.218 20 10 BECDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccccc1O ZINC000094948285 384322324 /nfs/dbraw/zinc/32/23/24/384322324.db2.gz DCAHEKRURAUZJV-NWDGAFQWSA-N 1 0 237.343 2.451 20 10 BECDRO CCC[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297649173 384311098 /nfs/dbraw/zinc/31/10/98/384311098.db2.gz KCKVAJMVFZEAIR-VXGBXAGGSA-N 1 0 235.327 2.130 20 10 BECDRO CC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134904694 384398127 /nfs/dbraw/zinc/39/81/27/384398127.db2.gz JREGTZXMLWDEAK-SCZZXKLOSA-N 1 0 243.734 2.467 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCOC1 ZINC000135202115 384422727 /nfs/dbraw/zinc/42/27/27/384422727.db2.gz TWHFMJBJCWTMME-BXUZGUMPSA-N 1 0 247.338 2.136 20 10 BECDRO CC[C@](C)(O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000096478412 384461847 /nfs/dbraw/zinc/46/18/47/384461847.db2.gz PSNVBWCMMKSPLZ-AWEZNQCLSA-N 1 0 237.343 2.254 20 10 BECDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000161151589 384469084 /nfs/dbraw/zinc/46/90/84/384469084.db2.gz YSHJSJKFWSHLNZ-NSHDSACASA-N 1 0 236.359 2.002 20 10 BECDRO CC(C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161703385 384516525 /nfs/dbraw/zinc/51/65/25/384516525.db2.gz MADAEKASCDOQJW-UHFFFAOYSA-N 1 0 248.370 2.363 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H](C)CCO)cc1C ZINC000097436022 384519676 /nfs/dbraw/zinc/51/96/76/384519676.db2.gz ATJSVDJDVWHICB-NSHDSACASA-N 1 0 237.343 2.112 20 10 BECDRO CC[C@@H]([NH2+]CCOC)c1ccccc1O ZINC000019881618 384550404 /nfs/dbraw/zinc/55/04/04/384550404.db2.gz HXJDBLFXBQBNQE-LLVKDONJSA-N 1 0 209.289 2.079 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)c(O)c1 ZINC000185142358 384684409 /nfs/dbraw/zinc/68/44/09/384684409.db2.gz FUUUGZLVNKOWJO-STQMWFEESA-N 1 0 248.370 2.445 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)O)c1 ZINC000082992803 384733298 /nfs/dbraw/zinc/73/32/98/384733298.db2.gz LSVNJQALSNKPIT-QWRGUYRKSA-N 1 0 223.316 2.122 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)c(O)c1 ZINC000082993382 384734899 /nfs/dbraw/zinc/73/48/99/384734899.db2.gz VQYXCZZHHVCBJF-GHMZBOCLSA-N 1 0 223.316 2.122 20 10 BECDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccccc1O ZINC000085125558 384918680 /nfs/dbraw/zinc/91/86/80/384918680.db2.gz YKGXBPIJHKKXTB-QWRGUYRKSA-N 1 0 223.316 2.061 20 10 BECDRO CS[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000128035094 384982100 /nfs/dbraw/zinc/98/21/00/384982100.db2.gz LLWQVCKNEQMKBZ-JTQLQIEISA-N 1 0 237.368 2.463 20 10 BECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000189125380 385126710 /nfs/dbraw/zinc/12/67/10/385126710.db2.gz GJUREHQQUJQBIV-QWRGUYRKSA-N 1 0 235.327 2.135 20 10 BECDRO CCC1([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000294744860 385161167 /nfs/dbraw/zinc/16/11/67/385161167.db2.gz HQBADVJZKPEBND-UHFFFAOYSA-N 1 0 221.300 2.433 20 10 BECDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000294911526 385307890 /nfs/dbraw/zinc/30/78/90/385307890.db2.gz YAOHLZQPOZDOTP-LBPRGKRZSA-N 1 0 239.290 2.188 20 10 BECDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000191209608 385292166 /nfs/dbraw/zinc/29/21/66/385292166.db2.gz BZKFSIZQFBJAFO-MNOVXSKESA-N 1 0 223.316 2.386 20 10 BECDRO CC/C=C/C[NH2+]Cc1cc(OC)ccc1O ZINC000294966791 385339070 /nfs/dbraw/zinc/33/90/70/385339070.db2.gz IQFLKWGMMSLZGQ-SNAWJCMRSA-N 1 0 221.300 2.457 20 10 BECDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cc(F)ccc1O ZINC000294972116 385342887 /nfs/dbraw/zinc/34/28/87/385342887.db2.gz FVJNGFNAJXVVFL-SECBINFHSA-N 1 0 241.306 2.170 20 10 BECDRO COc1ccc(C[NH2+]CCc2cn[nH]c2)cc1C ZINC000289748548 385355610 /nfs/dbraw/zinc/35/56/10/385355610.db2.gz HGNKTYVMXCGQGV-UHFFFAOYSA-N 1 0 245.326 2.059 20 10 BECDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168772942 385384470 /nfs/dbraw/zinc/38/44/70/385384470.db2.gz UPEJDQINQRGQLU-MWLCHTKSSA-N 1 0 241.306 2.343 20 10 BECDRO C[C@@H](CCO)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000295135173 385456666 /nfs/dbraw/zinc/45/66/66/385456666.db2.gz PCHAWSZVZHZMPU-GFCCVEGCSA-N 1 0 249.354 2.120 20 10 BECDRO COC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179573828 385474435 /nfs/dbraw/zinc/47/44/35/385474435.db2.gz DTTDDZXKWNCNEE-GFCCVEGCSA-N 1 0 235.327 2.251 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC[NH+](C)C1 ZINC000179559528 385474464 /nfs/dbraw/zinc/47/44/64/385474464.db2.gz ARUUMLHQYHGOPO-CYBMUJFWSA-N 1 0 248.370 2.166 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cn[nH]c1 ZINC000229884961 385685614 /nfs/dbraw/zinc/68/56/14/385685614.db2.gz MZHJZNULYRTQSL-LLVKDONJSA-N 1 0 244.342 2.327 20 10 BECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cn[nH]c1 ZINC000229884965 385686059 /nfs/dbraw/zinc/68/60/59/385686059.db2.gz MZHJZNULYRTQSL-NSHDSACASA-N 1 0 244.342 2.327 20 10 BECDRO CC(C)COCC[N@H+](C)Cc1ccccc1O ZINC000283150994 385809648 /nfs/dbraw/zinc/80/96/48/385809648.db2.gz CIDRMZSKQNOZCU-UHFFFAOYSA-N 1 0 237.343 2.497 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)O)c(O)c1 ZINC000283993290 385843950 /nfs/dbraw/zinc/84/39/50/385843950.db2.gz HLKMARQFVMYXQZ-WDEREUQCSA-N 1 0 223.316 2.040 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]CCCCO)c(O)c1 ZINC000284892310 385889807 /nfs/dbraw/zinc/88/98/07/385889807.db2.gz BTLJLHFEMZVMNR-LBPRGKRZSA-N 1 0 237.343 2.432 20 10 BECDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccccc1O ZINC000282625696 385924073 /nfs/dbraw/zinc/92/40/73/385924073.db2.gz FWEGGHPOFAQILR-NSHDSACASA-N 1 0 223.341 2.376 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CO)c(O)c1C ZINC000273399449 385994149 /nfs/dbraw/zinc/99/41/49/385994149.db2.gz MTAWWMCLWVFSGJ-BXKDBHETSA-N 1 0 237.343 2.288 20 10 BECDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)on1 ZINC000264722579 386267872 /nfs/dbraw/zinc/26/78/72/386267872.db2.gz PKQGGLMVLIWGGT-UHFFFAOYSA-N 1 0 232.283 2.321 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC000289199483 386270814 /nfs/dbraw/zinc/27/08/14/386270814.db2.gz BGPGVJSFYJTVNA-TZMCWYRMSA-N 1 0 235.327 2.046 20 10 BECDRO CCC[C@](C)(O)C[NH2+]Cc1cc(C)ccc1O ZINC000226648571 386354963 /nfs/dbraw/zinc/35/49/63/386354963.db2.gz LMLPUOUOXAKUMP-AWEZNQCLSA-N 1 0 237.343 2.341 20 10 BECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C1 ZINC000289579889 386328197 /nfs/dbraw/zinc/32/81/97/386328197.db2.gz TYAMHHCDCWOIGH-TXEJJXNPSA-N 1 0 239.290 2.141 20 10 BECDRO CCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000226784491 386390643 /nfs/dbraw/zinc/39/06/43/386390643.db2.gz GPSJDHTYUATXBN-UHFFFAOYSA-N 1 0 249.310 2.401 20 10 BECDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000135224882 386497219 /nfs/dbraw/zinc/49/72/19/386497219.db2.gz RVTYXBSZZXIBNR-JSGCOSHPSA-N 1 0 235.327 2.439 20 10 BECDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(F)ccc1O ZINC000228037963 386534241 /nfs/dbraw/zinc/53/42/41/386534241.db2.gz YLYDQAZEGDTDPW-VHSXEESVSA-N 1 0 241.306 2.343 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000295976151 386705644 /nfs/dbraw/zinc/70/56/44/386705644.db2.gz OJKVPOLRVQSTPS-KYOSRNDESA-N 1 0 248.370 2.317 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000293021048 386765457 /nfs/dbraw/zinc/76/54/57/386765457.db2.gz FMFWLXDZPXIIFO-OAHLLOKOSA-N 1 0 248.370 2.099 20 10 BECDRO CC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000293221207 386770527 /nfs/dbraw/zinc/77/05/27/386770527.db2.gz ALXNZUJPMXMTDX-WPRPVWTQSA-N 1 0 243.734 2.467 20 10 BECDRO COC[C@H]1CC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000293629402 386851102 /nfs/dbraw/zinc/85/11/02/386851102.db2.gz LHMJSQFXERGEQP-CYBMUJFWSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000368441931 386973500 /nfs/dbraw/zinc/97/35/00/386973500.db2.gz NKAOUJHWWOZSOS-GFCCVEGCSA-N 1 0 247.338 2.169 20 10 BECDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000191651233 387040250 /nfs/dbraw/zinc/04/02/50/387040250.db2.gz YLBPQGDIDJNASS-DCAQKATOSA-N 1 0 223.316 2.466 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CO)c(O)c1 ZINC000284256338 387170088 /nfs/dbraw/zinc/17/00/88/387170088.db2.gz VZAXDJXLTBLKGA-QWRGUYRKSA-N 1 0 223.316 2.040 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000219922607 387915221 /nfs/dbraw/zinc/91/52/21/387915221.db2.gz AQPWCHNFNCDOGK-BXUZGUMPSA-N 1 0 247.338 2.279 20 10 BECDRO C[C@H]([NH2+]CCOCC1CC1)c1ccccc1O ZINC000223660689 387936609 /nfs/dbraw/zinc/93/66/09/387936609.db2.gz SIXSSDMENXNMDA-NSHDSACASA-N 1 0 235.327 2.469 20 10 BECDRO CCC[C@](C)(O)C[NH2+]Cc1cccc(C)c1O ZINC000224809776 387939495 /nfs/dbraw/zinc/93/94/95/387939495.db2.gz YOPOFNCIENSKFZ-AWEZNQCLSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000294936632 388406622 /nfs/dbraw/zinc/40/66/22/388406622.db2.gz ZYCCTHWVIFAORB-ZDUSSCGKSA-N 1 0 235.327 2.358 20 10 BECDRO CCOc1cccc(C[NH2+][C@@H](C)CF)c1O ZINC000288402433 388417929 /nfs/dbraw/zinc/41/79/29/388417929.db2.gz IBIDGQZBTWVHEM-VIFPVBQESA-N 1 0 227.279 2.239 20 10 BECDRO CCOc1cccc(C[NH2+][C@H](C)CF)c1O ZINC000288402431 388418708 /nfs/dbraw/zinc/41/87/08/388418708.db2.gz IBIDGQZBTWVHEM-SECBINFHSA-N 1 0 227.279 2.239 20 10 BECDRO CC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)OC ZINC000297490124 388429578 /nfs/dbraw/zinc/42/95/78/388429578.db2.gz ZXRZDDDPEVMKCY-NEPJUHHUSA-N 1 0 235.327 2.394 20 10 BECDRO CC[C@@H](CCO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297625830 388430260 /nfs/dbraw/zinc/43/02/60/388430260.db2.gz JBYNRZCFBRIEAH-WCQYABFASA-N 1 0 249.354 2.378 20 10 BECDRO CC[C@H](CCO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297625849 388430542 /nfs/dbraw/zinc/43/05/42/388430542.db2.gz JBYNRZCFBRIEAH-YPMHNXCESA-N 1 0 249.354 2.378 20 10 BECDRO CO[C@@H](C)C[NH2+]Cc1c(O)cccc1Cl ZINC000223865765 388658853 /nfs/dbraw/zinc/65/88/53/388658853.db2.gz HYWKOFHGAGIXAM-QMMMGPOBSA-N 1 0 229.707 2.170 20 10 BECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1CC1 ZINC000020086218 132330043 /nfs/dbraw/zinc/33/00/43/132330043.db2.gz UIYAARUORVCHBH-UHFFFAOYSA-N 1 0 246.354 2.023 20 10 BECDRO C[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000035602376 132338552 /nfs/dbraw/zinc/33/85/52/132338552.db2.gz ARJBFLFLWMZLES-CYBMUJFWSA-N 1 0 248.370 2.147 20 10 BECDRO C[C@H](CO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185113792 397871395 /nfs/dbraw/zinc/87/13/95/397871395.db2.gz TUFWWGHRZGAJFF-GHMZBOCLSA-N 1 0 249.354 2.302 20 10 BECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000185816576 397873746 /nfs/dbraw/zinc/87/37/46/397873746.db2.gz NJDICMAYZMVRFE-OOPCZODUSA-N 1 0 235.327 2.117 20 10 BECDRO CN(C)c1ccc(C[N@H+](CCCO)C2CC2)cc1 ZINC000298682636 398023150 /nfs/dbraw/zinc/02/31/50/398023150.db2.gz AYELKBQYADMNTQ-UHFFFAOYSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000292812968 398109223 /nfs/dbraw/zinc/10/92/23/398109223.db2.gz OZPODOWNJDZUNX-AAEUAGOBSA-N 1 0 235.327 2.046 20 10 BECDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C[C@H](C)O ZINC000297677354 410046059 /nfs/dbraw/zinc/04/60/59/410046059.db2.gz LITRGGGYUGOBLM-MDZLAQPJSA-N 1 0 249.354 2.376 20 10 BECDRO CC(C)Oc1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC000037242271 167295523 /nfs/dbraw/zinc/29/55/23/167295523.db2.gz ROXSGASWEQYYEQ-LLVKDONJSA-N 1 0 220.316 2.011 20 10 BECDRO CC(C)[C@@H](CCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297622498 167392882 /nfs/dbraw/zinc/39/28/82/167392882.db2.gz IZGOUEPSEOJONB-CHWSQXEVSA-N 1 0 249.354 2.376 20 10 BECDRO CC1CC([NH2+]CCc2ccc(N)cc2)C1 ZINC000123555106 168145528 /nfs/dbraw/zinc/14/55/28/168145528.db2.gz HAQKZVNLNZVQDZ-UHFFFAOYSA-N 1 0 204.317 2.199 20 10 BECDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1O ZINC000131486947 171113441 /nfs/dbraw/zinc/11/34/41/171113441.db2.gz PPIWFNPWUHFHMM-DGCLKSJQSA-N 1 0 235.327 2.392 20 10 BECDRO CC[C@@H]([NH2+]CCCO)c1ccc(N(C)C)cc1 ZINC000268713797 487622143 /nfs/dbraw/zinc/62/21/43/487622143.db2.gz LSUYHJAEQNUUMI-CQSZACIVSA-N 1 0 236.359 2.176 20 10 BECDRO CC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)OC ZINC000289890395 171438971 /nfs/dbraw/zinc/43/89/71/171438971.db2.gz SQCXZYAIHGGTEB-CYBMUJFWSA-N 1 0 235.327 2.136 20 10 BECDRO CC[C@H](C[NH2+][C@@H](C)c1ccccc1O)OC ZINC000289602084 171439784 /nfs/dbraw/zinc/43/97/84/171439784.db2.gz BPTUNCKWFLTMHG-WDEREUQCSA-N 1 0 223.316 2.468 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](O)CC)c1ccccc1O ZINC000162330745 171577741 /nfs/dbraw/zinc/57/77/41/171577741.db2.gz DNKLXEYSBRWSJU-CMPLNLGQSA-N 1 0 223.316 2.204 20 10 BECDRO CCn1cc([C@H](C)[NH2+]Cc2ccccc2O)cn1 ZINC000130435353 172197680 /nfs/dbraw/zinc/19/76/80/172197680.db2.gz OYJKZWJVWBYYLT-NSHDSACASA-N 1 0 245.326 2.459 20 10 BECDRO CN1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296192902 173032617 /nfs/dbraw/zinc/03/26/17/173032617.db2.gz YQTCABPYSXINQR-OLZOCXBDSA-N 1 0 246.354 2.063 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)c1O ZINC001652321039 1173061492 /nfs/dbraw/zinc/06/14/92/1173061492.db2.gz HACBOJHHAYOREO-SMDDNHRTSA-N 1 0 249.354 2.157 20 10 BECDRO COCC(C)(C)C[NH2+]Cc1cc(C)ccc1O ZINC000291648525 174072945 /nfs/dbraw/zinc/07/29/45/174072945.db2.gz CMTKLUZHTHXHEA-UHFFFAOYSA-N 1 0 237.343 2.463 20 10 BECDRO COCCCC[N@H+](C)Cc1ccccc1O ZINC000117881615 174188842 /nfs/dbraw/zinc/18/88/42/174188842.db2.gz PKMSZJKDLLTXMP-UHFFFAOYSA-N 1 0 223.316 2.251 20 10 BECDRO COCCC[N@H+](C)Cc1cc(C)ccc1O ZINC000132720121 174218528 /nfs/dbraw/zinc/21/85/28/174218528.db2.gz NVCRKSBVCJMEGS-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO COCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000020142908 174248995 /nfs/dbraw/zinc/24/89/95/174248995.db2.gz KKBUCUXCWLPMDN-NSHDSACASA-N 1 0 223.316 2.388 20 10 BECDRO COc1ccc(C[NH2+]Cc2cnn(C)c2)cc1C ZINC000041159407 175108814 /nfs/dbraw/zinc/10/88/14/175108814.db2.gz YMUMCNJEIXLVPC-UHFFFAOYSA-N 1 0 245.326 2.027 20 10 BECDRO COc1ccc(C[NH2+][C@@H](C)CCCO)cc1C ZINC000088503297 175109297 /nfs/dbraw/zinc/10/92/97/175109297.db2.gz SAVHNMTYQCCMMT-LBPRGKRZSA-N 1 0 237.343 2.254 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1C ZINC000252702151 175110187 /nfs/dbraw/zinc/11/01/87/175110187.db2.gz GORQPWQGWJOMHA-HDJSIYSDSA-N 1 0 249.354 2.397 20 10 BECDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)cc1C ZINC000077424306 175110676 /nfs/dbraw/zinc/11/06/76/175110676.db2.gz MEBGOXGTTITDDU-NWDGAFQWSA-N 1 0 237.343 2.110 20 10 BECDRO COc1ccc(C[NH2+][C@]2(C)CCOC2)cc1C ZINC000160180847 175112677 /nfs/dbraw/zinc/11/26/77/175112677.db2.gz YJCZXTRLYXAGED-CQSZACIVSA-N 1 0 235.327 2.272 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C)c1 ZINC000132650526 175157342 /nfs/dbraw/zinc/15/73/42/175157342.db2.gz NAFSTUJLQKKTLR-SNVBAGLBSA-N 1 0 221.300 2.385 20 10 BECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)OC)c1 ZINC000182434820 175160590 /nfs/dbraw/zinc/16/05/90/175160590.db2.gz LTLOZWOLUOYZNP-NXEZZACHSA-N 1 0 239.315 2.086 20 10 BECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)OC)c1 ZINC000182434805 175160638 /nfs/dbraw/zinc/16/06/38/175160638.db2.gz LTLOZWOLUOYZNP-VHSXEESVSA-N 1 0 239.315 2.086 20 10 BECDRO COc1cccc(C[NH2+]CC2CCC2)c1O ZINC000037180045 175263326 /nfs/dbraw/zinc/26/33/26/175263326.db2.gz DNLKMHIQQIJPTQ-UHFFFAOYSA-N 1 0 221.300 2.291 20 10 BECDRO COc1cccc(C[NH2+]CCc2ccco2)c1O ZINC000035661705 175264876 /nfs/dbraw/zinc/26/48/76/175264876.db2.gz OGCKQDBJCKEKIX-UHFFFAOYSA-N 1 0 247.294 2.326 20 10 BECDRO COc1cccc(C[NH2+]Cc2ccn(C)c2)c1O ZINC000267053301 175265728 /nfs/dbraw/zinc/26/57/28/175265728.db2.gz FPWWJPSLMHCCEI-UHFFFAOYSA-N 1 0 246.310 2.029 20 10 BECDRO COc1cccc(C[NH2+][C@@H](C)C2CC2)c1O ZINC000035733298 175266240 /nfs/dbraw/zinc/26/62/40/175266240.db2.gz INKNTJXBZCCIPM-VIFPVBQESA-N 1 0 221.300 2.289 20 10 BECDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000168641616 175699332 /nfs/dbraw/zinc/69/93/32/175699332.db2.gz LEBJNIQUKKSMFG-STQMWFEESA-N 1 0 249.402 2.353 20 10 BECDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000071207006 176131971 /nfs/dbraw/zinc/13/19/71/176131971.db2.gz TZCQTGWYUOTWEU-KOLCDFICSA-N 1 0 249.310 2.399 20 10 BECDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccccc1O ZINC000293011520 176152806 /nfs/dbraw/zinc/15/28/06/176152806.db2.gz OAKYCFCQFYEYPT-RISCZKNCSA-N 1 0 235.327 2.033 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H](C2CC2)O1 ZINC000366245717 176307118 /nfs/dbraw/zinc/30/71/18/176307118.db2.gz CQNMKKYRNFMGCC-ABAIWWIYSA-N 1 0 247.338 2.392 20 10 BECDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000191749586 176341589 /nfs/dbraw/zinc/34/15/89/176341589.db2.gz HQZGQBFNIKRFGY-DOMZBBRYSA-N 1 0 248.370 2.267 20 10 BECDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000136095742 176396895 /nfs/dbraw/zinc/39/68/95/176396895.db2.gz DYEIQGMPQQXOMN-ZWNOBZJWSA-N 1 0 217.312 2.367 20 10 BECDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(N(C)C)cc1 ZINC000094721577 176835805 /nfs/dbraw/zinc/83/58/05/176835805.db2.gz SFVVVAGRBJWIET-LBPRGKRZSA-N 1 0 248.370 2.440 20 10 BECDRO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000086622777 176856439 /nfs/dbraw/zinc/85/64/39/176856439.db2.gz SPOSJPYAVFELKF-NEPJUHHUSA-N 1 0 236.359 2.032 20 10 BECDRO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297677350 177000176 /nfs/dbraw/zinc/00/01/76/177000176.db2.gz LITRGGGYUGOBLM-GVXVVHGQSA-N 1 0 249.354 2.376 20 10 BECDRO C[C@H]1C[NH+](Cc2ccccc2O)C[C@@H]1C ZINC000132752812 177266000 /nfs/dbraw/zinc/26/60/00/177266000.db2.gz ZLYRARXNDQHOJF-QWRGUYRKSA-N 1 0 205.301 2.480 20 10 BECDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000277660895 177294873 /nfs/dbraw/zinc/29/48/73/177294873.db2.gz ZTMKLWWHDFOHHY-CABZTGNLSA-N 1 0 239.290 2.046 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CN1C1CC1 ZINC000122328132 177331648 /nfs/dbraw/zinc/33/16/48/177331648.db2.gz UHMNEUMQCQJPNL-WCQYABFASA-N 1 0 246.354 2.107 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000226617577 177331812 /nfs/dbraw/zinc/33/18/12/177331812.db2.gz STTYLWNMTUXDOR-CABZTGNLSA-N 1 0 239.290 2.188 20 10 BECDRO Cc1cccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1O ZINC000529640885 324369865 /nfs/dbraw/zinc/36/98/65/324369865.db2.gz DVEAHSQYKWUBJD-DOMZBBRYSA-N 1 0 247.338 2.358 20 10 BECDRO Cc1ccc(O)c(C[N@H+](CC(C)(C)O)C2CC2)c1 ZINC000189947073 518189344 /nfs/dbraw/zinc/18/93/44/518189344.db2.gz ROSDUYYHHQISDQ-UHFFFAOYSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC3(COC3)C2)cc1C ZINC000853594578 588749948 /nfs/dbraw/zinc/74/99/48/588749948.db2.gz GLMSFNJCTUAOCE-UHFFFAOYSA-N 1 0 247.338 2.231 20 10 BECDRO C[NH2+]C[C@H](C)N[C@@H](C)c1c(C)cc(C)cc1O ZINC000854233137 588781241 /nfs/dbraw/zinc/78/12/41/588781241.db2.gz YCKQDCJQKOQWDE-RYUDHWBXSA-N 1 0 236.359 2.268 20 10 BECDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1O ZINC000854232186 588781325 /nfs/dbraw/zinc/78/13/25/588781325.db2.gz NZUQMHBLVQQNKG-BDAKNGLRSA-N 1 0 242.750 2.304 20 10 BECDRO C[NH2+]C[C@@H](C)N[C@H](C)c1c(C)cc(C)cc1O ZINC000854233240 588781569 /nfs/dbraw/zinc/78/15/69/588781569.db2.gz YCKQDCJQKOQWDE-VXGBXAGGSA-N 1 0 236.359 2.268 20 10 BECDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccccc1O ZINC000846014858 582642634 /nfs/dbraw/zinc/64/26/34/582642634.db2.gz AMHXGOAQDQGPOE-WCQYABFASA-N 1 0 237.343 2.279 20 10 BECDRO COc1ccc(C[NH2+]C(C)(C)C)c(O)c1OC ZINC000893332445 583106780 /nfs/dbraw/zinc/10/67/80/583106780.db2.gz RNKDAWWBNBIOAR-UHFFFAOYSA-N 1 0 239.315 2.298 20 10 BECDRO Cc1nccnc1C[N@H+](C)Cc1ccccc1O ZINC000857018308 588882666 /nfs/dbraw/zinc/88/26/66/588882666.db2.gz LTTRLSWHXSZTIR-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1 ZINC000857061259 588884883 /nfs/dbraw/zinc/88/48/83/588884883.db2.gz NBBNZIYXJOKPNV-JSGCOSHPSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[N@H+](CCO)C2CCC2)c(O)c1 ZINC000877465389 583316268 /nfs/dbraw/zinc/31/62/68/583316268.db2.gz WOUHMYIWOFVNBB-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c(O)c1 ZINC000877578857 583336758 /nfs/dbraw/zinc/33/67/58/583336758.db2.gz NZDRQTGJHUZCCL-AAEUAGOBSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2COC(C)(C)C2)c(O)c1 ZINC000877621214 583339758 /nfs/dbraw/zinc/33/97/58/583339758.db2.gz SWVHCJKWQQVHBN-GFCCVEGCSA-N 1 0 235.327 2.358 20 10 BECDRO C[C@H]1OCC[C@@H]1C[N@H+](C)Cc1ccccc1O ZINC000878241897 583368526 /nfs/dbraw/zinc/36/85/26/583368526.db2.gz JPZOQRFSRDSPEO-VXGBXAGGSA-N 1 0 235.327 2.249 20 10 BECDRO Cc1cc(O)c(C[NH2+]Cc2ncc[nH]2)cc1C ZINC000747863393 583400891 /nfs/dbraw/zinc/40/08/91/583400891.db2.gz ATBLZEIUEGDVJN-UHFFFAOYSA-N 1 0 231.299 2.022 20 10 BECDRO CCCN(Cc1c[nH]cn1)c1ccc(C[NH3+])cc1 ZINC000894570454 583485871 /nfs/dbraw/zinc/48/58/71/583485871.db2.gz WICCRSVYSDGBER-UHFFFAOYSA-N 1 0 244.342 2.285 20 10 BECDRO COc1cc(C)cc(C[NH+]2CC(C)C2)c1O ZINC000894610016 583492249 /nfs/dbraw/zinc/49/22/49/583492249.db2.gz UQUZLDKQPPJGSL-UHFFFAOYSA-N 1 0 221.300 2.161 20 10 BECDRO OC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1O ZINC000895151505 583606415 /nfs/dbraw/zinc/60/64/15/583606415.db2.gz JZMZNGLDCRNTKS-ZDUSSCGKSA-N 1 0 235.327 2.129 20 10 BECDRO CC1=NO[C@@H](C[NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000895308333 583645832 /nfs/dbraw/zinc/64/58/32/583645832.db2.gz JPTASDUNNSRRCE-CYBMUJFWSA-N 1 0 248.326 2.263 20 10 BECDRO CC1=NO[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000895312610 583648618 /nfs/dbraw/zinc/64/86/18/583648618.db2.gz ZVUWNUJCNYZZKZ-AWEZNQCLSA-N 1 0 247.342 2.007 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](CF)C1 ZINC000895572489 583692025 /nfs/dbraw/zinc/69/20/25/583692025.db2.gz FCPLLSBZDHHCPZ-SNVBAGLBSA-N 1 0 239.290 2.192 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000895623962 583697917 /nfs/dbraw/zinc/69/79/17/583697917.db2.gz ZORZMQPAVLJNFM-TXEJJXNPSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1O ZINC000895778903 583726443 /nfs/dbraw/zinc/72/64/43/583726443.db2.gz IDRMZRPTQRGYSA-BETUJISGSA-N 1 0 249.379 2.495 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2COC2)cc1 ZINC000858550732 588964523 /nfs/dbraw/zinc/96/45/23/588964523.db2.gz SPPDCKPULJOHGH-GFCCVEGCSA-N 1 0 248.370 2.440 20 10 BECDRO CCN(C)c1ccc([C@H](C)NCC2([NH3+])CC2)cc1 ZINC000902416295 584590166 /nfs/dbraw/zinc/59/01/66/584590166.db2.gz MNZICTSKDJXAQV-LBPRGKRZSA-N 1 0 247.386 2.285 20 10 BECDRO CC[C@@H]([NH2+]CCCON)c1ccc(C)cc1O ZINC000902425410 584593729 /nfs/dbraw/zinc/59/37/29/584593729.db2.gz NJBJDQWVEFJLBJ-GFCCVEGCSA-N 1 0 238.331 2.022 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]2CO)cc1C(C)C ZINC000902629710 584646144 /nfs/dbraw/zinc/64/61/44/584646144.db2.gz ILNXQHATZAEKJE-CYBMUJFWSA-N 1 0 249.354 2.391 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)cn2)c1 ZINC000903352949 584755770 /nfs/dbraw/zinc/75/57/70/584755770.db2.gz XIZQZVMTGBLVAB-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO CC[C@@H]([NH2+]CCNC1CC1)c1ccccc1O ZINC000817952324 584991264 /nfs/dbraw/zinc/99/12/64/584991264.db2.gz DPZYGRWXEPPVLO-CYBMUJFWSA-N 1 0 234.343 2.185 20 10 BECDRO Cc1cccc(C[NH+]2CC(C(F)F)C2)c1O ZINC000839140847 585094600 /nfs/dbraw/zinc/09/46/00/585094600.db2.gz JHMICDKIBPKMCF-UHFFFAOYSA-N 1 0 227.254 2.398 20 10 BECDRO COCC1(C)C[NH+](Cc2cc(C)ccc2O)C1 ZINC000839143302 585094826 /nfs/dbraw/zinc/09/48/26/585094826.db2.gz KISAHHUDIGXCDV-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1O ZINC000839192879 585097962 /nfs/dbraw/zinc/09/79/62/585097962.db2.gz PXFLLVZWGYYBKW-RYUDHWBXSA-N 1 0 235.352 2.390 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H](CCO)C2CC2)cc1 ZINC000741257515 585111556 /nfs/dbraw/zinc/11/15/56/585111556.db2.gz DUJYLTGKEXUQTN-OAHLLOKOSA-N 1 0 248.370 2.003 20 10 BECDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c[nH]1 ZINC000754884092 585292116 /nfs/dbraw/zinc/29/21/16/585292116.db2.gz XLRXKBXAPRYSCY-UHFFFAOYSA-N 1 0 228.295 2.239 20 10 BECDRO C[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756343226 585317843 /nfs/dbraw/zinc/31/78/43/585317843.db2.gz VQRTZBFJSCXPPW-WEDXCCLWSA-N 1 0 239.290 2.050 20 10 BECDRO C[C@@H](C[NH3+])N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000843052223 585333156 /nfs/dbraw/zinc/33/31/56/585333156.db2.gz PTRUSSXOUUWXNY-SZZPACECSA-N 1 0 247.386 2.045 20 10 BECDRO Cc1cc(O)c(C[N@@H+](CCO)C(C)C)cc1C ZINC000768176076 585533410 /nfs/dbraw/zinc/53/34/10/585533410.db2.gz YPTPZWLCUVBUGN-UHFFFAOYSA-N 1 0 237.343 2.212 20 10 BECDRO CC[N@H+](Cc1c(O)cccc1OC)C1CC1 ZINC000768303617 585535444 /nfs/dbraw/zinc/53/54/44/585535444.db2.gz ZPDSDQDDTXTFFL-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CCC1(C)C ZINC000769447148 585556580 /nfs/dbraw/zinc/55/65/80/585556580.db2.gz STYCCYIHZOTBPR-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO C[C@]1(O)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769543272 585559304 /nfs/dbraw/zinc/55/93/04/585559304.db2.gz LSWCSAROSCOBNV-LBPRGKRZSA-N 1 0 241.718 2.002 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(C2CC2)C1 ZINC000770511093 585575225 /nfs/dbraw/zinc/57/52/25/585575225.db2.gz ZRXBOZGMEZKHHU-CQSZACIVSA-N 1 0 246.354 2.061 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)CC2(O)CCC2)cc1 ZINC000771526765 585595726 /nfs/dbraw/zinc/59/57/26/585595726.db2.gz NNHDTURAKWSYLL-UHFFFAOYSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CCO)C2)c1O ZINC000775681232 585683221 /nfs/dbraw/zinc/68/32/21/585683221.db2.gz NRXRLOBGRXKHOD-ZDUSSCGKSA-N 1 0 249.354 2.295 20 10 BECDRO COc1cc(O)c(C[N@H+]2CC=CCC2)cc1OC ZINC000778577953 585737745 /nfs/dbraw/zinc/73/77/45/585737745.db2.gz XYWIMUXXPKLGDI-UHFFFAOYSA-N 1 0 249.310 2.171 20 10 BECDRO CC[C@]1(O)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000779219014 585747376 /nfs/dbraw/zinc/74/73/76/585747376.db2.gz KQFDLCXXEITWFC-HNNXBMFYSA-N 1 0 249.354 2.356 20 10 BECDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccccc1O ZINC000783502938 585835919 /nfs/dbraw/zinc/83/59/19/585835919.db2.gz BWLUHIMXXXHFFW-RISCZKNCSA-N 1 0 248.370 2.383 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783599444 585837625 /nfs/dbraw/zinc/83/76/25/585837625.db2.gz MZTXNGDOUWWGPJ-UHFFFAOYSA-N 1 0 233.311 2.005 20 10 BECDRO C[N@H+](CCCCO)Cc1cc(Cl)ccc1O ZINC000788268814 585920341 /nfs/dbraw/zinc/92/03/41/585920341.db2.gz IRSPNXYMQFIGLC-UHFFFAOYSA-N 1 0 243.734 2.250 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CO)CC2)c(O)c1 ZINC000788608378 585927766 /nfs/dbraw/zinc/92/77/66/585927766.db2.gz GHGCTVIXCJKOMM-GFCCVEGCSA-N 1 0 249.354 2.432 20 10 BECDRO CC(C)C1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000793188245 586013425 /nfs/dbraw/zinc/01/34/25/586013425.db2.gz GBOWUKPWCDZRFN-UHFFFAOYSA-N 1 0 249.310 2.209 20 10 BECDRO Cc1nccc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000796451942 586103600 /nfs/dbraw/zinc/10/36/00/586103600.db2.gz ZYYOJGDXVXTURT-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO Oc1ccccc1C[NH+]1CC(C2CCOCC2)C1 ZINC000800531532 586224418 /nfs/dbraw/zinc/22/44/18/586224418.db2.gz GPDDPJQNADSAFB-UHFFFAOYSA-N 1 0 247.338 2.251 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1C ZINC000812779311 586583950 /nfs/dbraw/zinc/58/39/50/586583950.db2.gz LUZNQEQNZDFJRE-CQSZACIVSA-N 1 0 249.354 2.354 20 10 BECDRO CC(C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816551265 586739958 /nfs/dbraw/zinc/73/99/58/586739958.db2.gz VAQOFPFVYNGQDG-UHFFFAOYSA-N 1 0 245.322 2.406 20 10 BECDRO C[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000816554552 586740571 /nfs/dbraw/zinc/74/05/71/586740571.db2.gz BLXIFFUQULTDLQ-JTQLQIEISA-N 1 0 231.295 2.016 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@H]2CCC[NH2+]C2)c1 ZINC000817941156 586845396 /nfs/dbraw/zinc/84/53/96/586845396.db2.gz MWEWUJFWTRBAJE-RYUDHWBXSA-N 1 0 234.343 2.103 20 10 BECDRO CC[C@H]([NH2+][C@H]1CCCNC1)c1ccc(C)cc1O ZINC000817941980 586845491 /nfs/dbraw/zinc/84/54/91/586845491.db2.gz VHJKYVLQGTUYHE-JSGCOSHPSA-N 1 0 248.370 2.493 20 10 BECDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817941370 586845498 /nfs/dbraw/zinc/84/54/98/586845498.db2.gz PBIUIBUHVRLDRO-TZMCWYRMSA-N 1 0 247.386 2.155 20 10 BECDRO CCN(C)c1ccc([C@@H](C)N[C@H]2CC[NH2+]C2)cc1 ZINC000817944833 586846212 /nfs/dbraw/zinc/84/62/12/586846212.db2.gz NIOKQTMCNMVCLL-OCCSQVGLSA-N 1 0 247.386 2.155 20 10 BECDRO CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cc1[O-] ZINC000817951350 586847694 /nfs/dbraw/zinc/84/76/94/586847694.db2.gz DHALVKIETJFKDI-CABZTGNLSA-N 1 0 240.322 2.309 20 10 BECDRO Cc1cc(C)c([C@@H](C)NC[C@H]2CCC[NH2+]2)c(O)c1 ZINC000817952204 586848282 /nfs/dbraw/zinc/84/82/82/586848282.db2.gz OOQXZHNEZTUBGC-CHWSQXEVSA-N 1 0 248.370 2.412 20 10 BECDRO CC[C@@H](NCC[NH2+]C)c1cc(Cl)ccc1O ZINC000817953291 586848473 /nfs/dbraw/zinc/84/84/73/586848473.db2.gz ZFPKBVPPXQHBQE-LLVKDONJSA-N 1 0 242.750 2.306 20 10 BECDRO CCN(C)c1ccc([C@H](C)NCC[NH2+]C)cc1 ZINC000817954240 586848529 /nfs/dbraw/zinc/84/85/29/586848529.db2.gz XNRUOUHUEDRCKF-LBPRGKRZSA-N 1 0 235.375 2.013 20 10 BECDRO CC[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(C)cc1O ZINC000817952849 586849397 /nfs/dbraw/zinc/84/93/97/586849397.db2.gz VHEKDXRTSCUKBJ-TZMCWYRMSA-N 1 0 248.370 2.493 20 10 BECDRO C[C@@H](NC1C[NH2+]C1)c1ccc2ccccc2c1O ZINC000817956391 586850313 /nfs/dbraw/zinc/85/03/13/586850313.db2.gz YBCSZRRDYIBJAA-SNVBAGLBSA-N 1 0 242.322 2.168 20 10 BECDRO CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956725 586850339 /nfs/dbraw/zinc/85/03/39/586850339.db2.gz BFMQVWJDZRKBBN-HUUCEWRRSA-N 1 0 248.370 2.359 20 10 BECDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000817957336 586850787 /nfs/dbraw/zinc/85/07/87/586850787.db2.gz BAVKARBSSNHTGQ-DOMZBBRYSA-N 1 0 249.402 2.387 20 10 BECDRO C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(N(C)C)cc1 ZINC000817961210 586852249 /nfs/dbraw/zinc/85/22/49/586852249.db2.gz VJZWNQZEVJKHQJ-IAQYHMDHSA-N 1 0 247.386 2.141 20 10 BECDRO CCC[NH2+]CCN[C@H](C)c1ccc(F)cc1O ZINC000817962777 586852538 /nfs/dbraw/zinc/85/25/38/586852538.db2.gz PGFWDVJPVIAYBX-SNVBAGLBSA-N 1 0 240.322 2.182 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CC2)c(O)c1C ZINC000817961307 586853249 /nfs/dbraw/zinc/85/32/49/586853249.db2.gz WWXHVOJFGMUKBC-RISCZKNCSA-N 1 0 248.370 2.397 20 10 BECDRO C[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817964542 586854222 /nfs/dbraw/zinc/85/42/22/586854222.db2.gz CBWSSDNAZJUPMQ-XHDPSFHLSA-N 1 0 247.386 2.141 20 10 BECDRO CCN(C)c1ccc([C@@H](C)N[C@H](C)C[NH3+])cc1 ZINC000817966543 586854939 /nfs/dbraw/zinc/85/49/39/586854939.db2.gz PVDSDIKIKZAJEH-VXGBXAGGSA-N 1 0 235.375 2.141 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CNCC[C@H]2C)c1 ZINC000817969316 586856339 /nfs/dbraw/zinc/85/63/39/586856339.db2.gz UOPTUHIOBYOFIV-MBNYWOFBSA-N 1 0 248.370 2.349 20 10 BECDRO CC[NH2+][C@H](C)CN[C@H](C)c1cc(C)ccc1O ZINC000817971270 586857573 /nfs/dbraw/zinc/85/75/73/586857573.db2.gz BNOLPXQEKSURDH-VXGBXAGGSA-N 1 0 236.359 2.349 20 10 BECDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(F)cc1O ZINC000817972776 586859338 /nfs/dbraw/zinc/85/93/38/586859338.db2.gz OMFIOVWGQCJVSQ-ZJUUUORDSA-N 1 0 240.322 2.180 20 10 BECDRO CC[NH2+][C@H](C)CN[C@H](CC)c1ccccc1O ZINC000817972061 586859775 /nfs/dbraw/zinc/85/97/75/586859775.db2.gz JMRJTUOYVLHEIS-DGCLKSJQSA-N 1 0 236.359 2.431 20 10 BECDRO CC[NH2+][C@H](C)CN[C@@H](CC)c1ccccc1O ZINC000817972064 586859800 /nfs/dbraw/zinc/85/98/00/586859800.db2.gz JMRJTUOYVLHEIS-YPMHNXCESA-N 1 0 236.359 2.431 20 10 BECDRO COc1cccc(O)c1C[NH2+][C@@H]1CC12CC2 ZINC000818231072 586880644 /nfs/dbraw/zinc/88/06/44/586880644.db2.gz UPXRYJAULBPYBJ-GFCCVEGCSA-N 1 0 219.284 2.043 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000818357753 586889338 /nfs/dbraw/zinc/88/93/38/586889338.db2.gz KPMGIUNZTFOEHU-KCPJHIHWSA-N 1 0 248.370 2.317 20 10 BECDRO Oc1c(C[NH2+][C@H]2C[C@@H](O)C2)ccc2ccccc21 ZINC000825256971 587311528 /nfs/dbraw/zinc/31/15/28/587311528.db2.gz OVZYKKYLMUBCKN-BETUJISGSA-N 1 0 243.306 2.158 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H](C)CCO)cc1Cl ZINC000825298169 587313580 /nfs/dbraw/zinc/31/35/80/587313580.db2.gz VWKHGURTABBQON-SECBINFHSA-N 1 0 243.734 2.215 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)CO)cc1Cl ZINC000825916361 587345360 /nfs/dbraw/zinc/34/53/60/587345360.db2.gz MSKYQHZFBSNJJA-VIFPVBQESA-N 1 0 243.734 2.167 20 10 BECDRO Cc1ccc(O)c(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1 ZINC000827151422 587371391 /nfs/dbraw/zinc/37/13/91/587371391.db2.gz ASYOESXAECOFHV-RYUDHWBXSA-N 1 0 249.354 2.149 20 10 BECDRO Cc1ccc(O)c(C[N@H+](C)CC2=CCCOC2)c1 ZINC000827184471 587372261 /nfs/dbraw/zinc/37/22/61/587372261.db2.gz BBOWGOTVUVJWFA-UHFFFAOYSA-N 1 0 247.338 2.479 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000827285248 587375106 /nfs/dbraw/zinc/37/51/06/587375106.db2.gz YZAQCAOSWVFUNR-UKRRQHHQSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000827359495 587378446 /nfs/dbraw/zinc/37/84/46/587378446.db2.gz OOCFRHZARAHQIH-ZDUSSCGKSA-N 1 0 249.354 2.199 20 10 BECDRO Cc1cc(O)c(C[NH2+]C2([C@@H](C)O)CC2)cc1C ZINC000827585615 587390700 /nfs/dbraw/zinc/39/07/00/587390700.db2.gz MYNNWYHPPRXYHV-LLVKDONJSA-N 1 0 235.327 2.012 20 10 BECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244838 587652394 /nfs/dbraw/zinc/65/23/94/587652394.db2.gz ZTOFDGMQZCZEMU-CYBMUJFWSA-N 1 0 247.342 2.082 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccccc1O ZINC000834905443 587770153 /nfs/dbraw/zinc/77/01/53/587770153.db2.gz HMIYMEKMLRXLPU-NTZNESFSSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000834915602 587770866 /nfs/dbraw/zinc/77/08/66/587770866.db2.gz SDDUINAVLPVMBO-MPKXVKKWSA-N 1 0 235.327 2.265 20 10 BECDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)O)cc1 ZINC000835040914 587779296 /nfs/dbraw/zinc/77/92/96/587779296.db2.gz WDNGJCBKFZRSDB-WAYWQWQTSA-N 1 0 248.370 2.126 20 10 BECDRO COCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034880 587779307 /nfs/dbraw/zinc/77/93/07/587779307.db2.gz ZIHCSZHVDHKPLU-XQRVVYSFSA-N 1 0 248.370 2.392 20 10 BECDRO CCn1ccc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000840839760 587924792 /nfs/dbraw/zinc/92/47/92/587924792.db2.gz RRANKPOMPFTCDL-NSHDSACASA-N 1 0 245.326 2.459 20 10 BECDRO COCCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840928192 587930220 /nfs/dbraw/zinc/93/02/20/587930220.db2.gz MAURDNSVMSPPKB-UHFFFAOYSA-N 1 0 236.359 2.187 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)C[C@H](C)O)c(Cl)c1 ZINC000840939545 587930520 /nfs/dbraw/zinc/93/05/20/587930520.db2.gz NMXHHRIJMSTPGR-VIFPVBQESA-N 1 0 243.734 2.167 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)N(C)C ZINC000840937782 587930603 /nfs/dbraw/zinc/93/06/03/587930603.db2.gz XUUGNOHGANMULL-ZDUSSCGKSA-N 1 0 249.402 2.101 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1O ZINC000840977807 587932866 /nfs/dbraw/zinc/93/28/66/587932866.db2.gz KBBHAFVJGTXXJZ-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@@H](C[C@H]1CCC[NH2+]1)Nc1ccc(N)cc1 ZINC000841039924 587938417 /nfs/dbraw/zinc/93/84/17/587938417.db2.gz DYCIXZGCCZCQGC-GXFFZTMASA-N 1 0 219.332 2.211 20 10 BECDRO NC[C@@H]([NH2+]Cc1ccccc1O)C1CCCCC1 ZINC000841039289 587938519 /nfs/dbraw/zinc/93/85/19/587938519.db2.gz IWPIPEDTPLFWAB-CQSZACIVSA-N 1 0 248.370 2.389 20 10 BECDRO CC[C@@H]([NH3+])CNC/C=C/c1ccc(N(C)C)cc1 ZINC000841071378 587942683 /nfs/dbraw/zinc/94/26/83/587942683.db2.gz FDMYLCLQAOSLBD-VBROQKIQSA-N 1 0 247.386 2.093 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](CN)C(C)(C)C)c1 ZINC000841087413 587945459 /nfs/dbraw/zinc/94/54/59/587945459.db2.gz NOGQOYHVNPWUED-ZDUSSCGKSA-N 1 0 236.359 2.164 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](CN)C2CCCC2)c1 ZINC000841086326 587945608 /nfs/dbraw/zinc/94/56/08/587945608.db2.gz IKHMGIKLURMESZ-CQSZACIVSA-N 1 0 248.370 2.308 20 10 BECDRO Cc1cccc(C[NH2+][C@H](CN)C(C)(C)C)c1O ZINC000841086709 587945890 /nfs/dbraw/zinc/94/58/90/587945890.db2.gz DUCQUHWERHCQAX-GFCCVEGCSA-N 1 0 236.359 2.164 20 10 BECDRO Cc1ccc(O)c(CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000841105638 587946808 /nfs/dbraw/zinc/94/68/08/587946808.db2.gz UVFVOWGYXPHNLT-HNNXBMFYSA-N 1 0 246.354 2.029 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c(O)c1 ZINC000841760701 587974341 /nfs/dbraw/zinc/97/43/41/587974341.db2.gz YNRDRXPOAFPBGO-COPLHBTASA-N 1 0 235.327 2.265 20 10 BECDRO COc1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1C ZINC000841890517 587981893 /nfs/dbraw/zinc/98/18/93/587981893.db2.gz BZTPOQGICJCCSV-XBXGTLAGSA-N 1 0 235.327 2.007 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CN)c1O ZINC000843052400 588077005 /nfs/dbraw/zinc/07/70/05/588077005.db2.gz SOEKPJDVWZKLTO-RISCZKNCSA-N 1 0 248.370 2.260 20 10 BECDRO Cc1cc(O)c(CN2CC[NH2+][C@H](C)[C@H]2C)cc1C ZINC000843057494 588077764 /nfs/dbraw/zinc/07/77/64/588077764.db2.gz ILMUHFIUCMHQIZ-CHWSQXEVSA-N 1 0 248.370 2.191 20 10 BECDRO COc1ccc2c(c1)CCN2C[C@]1(C)CC[NH2+]C1 ZINC000843059450 588078200 /nfs/dbraw/zinc/07/82/00/588078200.db2.gz LRUHAVZZBDAEMA-OAHLLOKOSA-N 1 0 246.354 2.057 20 10 BECDRO CCN(CC)c1ccc(CN(C)C[C@@H](C)[NH3+])cc1 ZINC000844220214 588173770 /nfs/dbraw/zinc/17/37/70/588173770.db2.gz AZHCMMRMAFVJIX-CYBMUJFWSA-N 1 0 249.402 2.312 20 10 BECDRO Oc1ccccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846007886 588253346 /nfs/dbraw/zinc/25/33/46/588253346.db2.gz JXVRSLJSWFOXEU-UHFFFAOYSA-N 1 0 247.338 2.129 20 10 BECDRO C[C@H](CCO)[N@H+](C)Cc1c(O)cccc1Cl ZINC000846111452 588257223 /nfs/dbraw/zinc/25/72/23/588257223.db2.gz PGEIAPCJCQUFMI-SECBINFHSA-N 1 0 243.734 2.248 20 10 BECDRO COc1cccc([C@H](C)[NH2+]CCCF)c1O ZINC000846156849 588258730 /nfs/dbraw/zinc/25/87/30/588258730.db2.gz PEXSIGJTOCCHCR-VIFPVBQESA-N 1 0 227.279 2.411 20 10 BECDRO CCc1cccc(C[N@@H+]2CCC[C@H](CO)C2)c1O ZINC000848876720 588416042 /nfs/dbraw/zinc/41/60/42/588416042.db2.gz KMESCJGJKNPLMD-LBPRGKRZSA-N 1 0 249.354 2.159 20 10 BECDRO CCc1cccc(C[N@H+](CCO)CC2CC2)c1O ZINC000848883425 588416965 /nfs/dbraw/zinc/41/69/65/588416965.db2.gz NOTDSWIVSONNIR-UHFFFAOYSA-N 1 0 249.354 2.159 20 10 BECDRO CCc1cccc(C[NH2+][C@H](CO)CC2CC2)c1O ZINC000848899283 588417540 /nfs/dbraw/zinc/41/75/40/588417540.db2.gz MKTGOMIPAGZWHI-AWEZNQCLSA-N 1 0 249.354 2.205 20 10 BECDRO CCc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)c1O ZINC000848891464 588417654 /nfs/dbraw/zinc/41/76/54/588417654.db2.gz YPFYFBSFSRJPNR-GXTWGEPZSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@](O)(CC)C2)c1O ZINC000848904599 588418440 /nfs/dbraw/zinc/41/84/40/588418440.db2.gz YCFWYXPDXCVYCR-OAHLLOKOSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2CCO)c1O ZINC000848903856 588418514 /nfs/dbraw/zinc/41/85/14/588418514.db2.gz FQYYFEXBRPTRGY-CQSZACIVSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC000848904394 588418583 /nfs/dbraw/zinc/41/85/83/588418583.db2.gz SFRKEPNZZGNQCI-RISCZKNCSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](O)C2(C)C)c1O ZINC000848913271 588420266 /nfs/dbraw/zinc/42/02/66/588420266.db2.gz SPMAKDBMHGHKDI-ZDUSSCGKSA-N 1 0 249.354 2.300 20 10 BECDRO C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2O)C1 ZINC000848985026 588425349 /nfs/dbraw/zinc/42/53/49/588425349.db2.gz XOMROVBAZXMOBQ-NSHDSACASA-N 1 0 247.342 2.148 20 10 BECDRO CC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000850527528 588557181 /nfs/dbraw/zinc/55/71/81/588557181.db2.gz ALXNZUJPMXMTDX-WCBMZHEXSA-N 1 0 243.734 2.467 20 10 BECDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000850528654 588557254 /nfs/dbraw/zinc/55/72/54/588557254.db2.gz JLKRMERUIRRIQD-NWDGAFQWSA-N 1 0 237.343 2.431 20 10 BECDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Cl)cc1O ZINC000850577632 588560982 /nfs/dbraw/zinc/56/09/82/588560982.db2.gz BNPVMFZVTHOOED-SZEHBUNVSA-N 1 0 241.718 2.220 20 10 BECDRO COc1ccc(CN[C@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000863485323 589293166 /nfs/dbraw/zinc/29/31/66/589293166.db2.gz ZGPDZPAYLROXBQ-JSGCOSHPSA-N 1 0 248.370 2.234 20 10 BECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cc(C)ccc1O ZINC000863542814 589297262 /nfs/dbraw/zinc/29/72/62/589297262.db2.gz GHALNMSAFPLMMD-KWCYVHTRSA-N 1 0 248.370 2.492 20 10 BECDRO Cc1cnccc1C[NH2+]CCc1ccc(N)cc1 ZINC000863641437 589306456 /nfs/dbraw/zinc/30/64/56/589306456.db2.gz CGNABYNOCHQKHZ-UHFFFAOYSA-N 1 0 241.338 2.305 20 10 BECDRO C[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000120158982 589385021 /nfs/dbraw/zinc/38/50/21/589385021.db2.gz VZIVZPIROQOLOF-GFCCVEGCSA-N 1 0 241.718 2.314 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccnn2C)c1 ZINC000865838678 589464508 /nfs/dbraw/zinc/46/45/08/589464508.db2.gz MKNGECWSVINELC-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO CCOc1ccc(N(CC[NH3+])CC2CC2)cc1 ZINC000866672240 589510914 /nfs/dbraw/zinc/51/09/14/589510914.db2.gz HPJQSSDTWZRQGI-UHFFFAOYSA-N 1 0 234.343 2.260 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CO)CC2)c1 ZINC000122307649 589577731 /nfs/dbraw/zinc/57/77/31/589577731.db2.gz LGQWTSMEDRHMPG-NSHDSACASA-N 1 0 235.327 2.124 20 10 BECDRO CCCOc1ccc(C[NH2+]C/C=C\CO)cc1C ZINC000873134586 589986497 /nfs/dbraw/zinc/98/64/97/589986497.db2.gz BNGQMLVOPNQIJD-PLNGDYQASA-N 1 0 249.354 2.422 20 10 BECDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000124407011 589988432 /nfs/dbraw/zinc/98/84/32/589988432.db2.gz YQRXXPIYHDVILL-SMDDNHRTSA-N 1 0 236.359 2.174 20 10 BECDRO Cc1cccc(C[NH2+]CCN(C)C(C)C)c1O ZINC000124757918 590081001 /nfs/dbraw/zinc/08/10/01/590081001.db2.gz OISWLHJUXPWZLI-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000124805879 590090264 /nfs/dbraw/zinc/09/02/64/590090264.db2.gz PZONRKIWIFJMLV-CYBMUJFWSA-N 1 0 246.354 2.027 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876512322 590206080 /nfs/dbraw/zinc/20/60/80/590206080.db2.gz LNESBUSUQIECAE-TXEJJXNPSA-N 1 0 235.327 2.310 20 10 BECDRO CO[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876609383 590221723 /nfs/dbraw/zinc/22/17/23/590221723.db2.gz LYSXNLNVXBDIAQ-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO CO[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876610473 590221742 /nfs/dbraw/zinc/22/17/42/590221742.db2.gz VEHHZAFETSZPMQ-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000876684425 590230336 /nfs/dbraw/zinc/23/03/36/590230336.db2.gz MXUKSPWPRKENLT-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000876693195 590231152 /nfs/dbraw/zinc/23/11/52/590231152.db2.gz AZEKTYJRQCXVFZ-CYBMUJFWSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1ccc(C[NH+]2CCC(C)(O)CC2)c(O)c1 ZINC000876746387 590236969 /nfs/dbraw/zinc/23/69/69/590236969.db2.gz LJLQAUSORFPTDU-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000876802919 590243615 /nfs/dbraw/zinc/24/36/15/590243615.db2.gz BMSYNVIUQWYUAD-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000876802917 590243949 /nfs/dbraw/zinc/24/39/49/590243949.db2.gz BMSYNVIUQWYUAD-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(O)c1 ZINC000876804919 590244488 /nfs/dbraw/zinc/24/44/88/590244488.db2.gz WCOSTJJWKMPLJR-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c(O)c1 ZINC000876804918 590244639 /nfs/dbraw/zinc/24/46/39/590244639.db2.gz WCOSTJJWKMPLJR-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO CN(C)c1ccc(C[NH2+]CCC[C@H]2CCO2)cc1 ZINC000876906234 590255791 /nfs/dbraw/zinc/25/57/91/590255791.db2.gz UKTZJZFDXNDFPR-HNNXBMFYSA-N 1 0 248.370 2.411 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H](C)Cn1cccn1 ZINC000876926952 590257732 /nfs/dbraw/zinc/25/77/32/590257732.db2.gz LXGLMKGCRUQXFX-LBPRGKRZSA-N 1 0 245.326 2.075 20 10 BECDRO COC[C@H](C)C[NH2+]Cc1c(C)cccc1O ZINC000876987532 590265129 /nfs/dbraw/zinc/26/51/29/590265129.db2.gz ZVTCPWZDBSHDKP-SNVBAGLBSA-N 1 0 223.316 2.073 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H](O)CC(C)C)c(O)c1 ZINC000876990283 590266483 /nfs/dbraw/zinc/26/64/83/590266483.db2.gz WMRQMJQLVYTJCR-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO CO[C@@H](C)CC[NH2+]Cc1ccc(C)cc1O ZINC000876997102 590267080 /nfs/dbraw/zinc/26/70/80/590267080.db2.gz NFYDGKZBXKFTJA-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc(C[NH2+]CC2CCOCC2)c(O)c1 ZINC000876998531 590267512 /nfs/dbraw/zinc/26/75/12/590267512.db2.gz JCEHBIBZYXZRNH-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](CCO)C(C)C)c(O)c1 ZINC000877064137 590276855 /nfs/dbraw/zinc/27/68/55/590276855.db2.gz NOXNLDTVGOLSFX-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000877070785 590277541 /nfs/dbraw/zinc/27/75/41/590277541.db2.gz VYCZCQIMVSKMCC-STQMWFEESA-N 1 0 248.370 2.273 20 10 BECDRO Cc1cccc(O)c1CN(C)Cc1nccn1C ZINC000877168943 590295716 /nfs/dbraw/zinc/29/57/16/590295716.db2.gz ADECCPPMWJGFDW-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000877423884 590325201 /nfs/dbraw/zinc/32/52/01/590325201.db2.gz NDEWXRDSRCAQQM-OAHLLOKOSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCN1CC=CCC1 ZINC000877491992 590339784 /nfs/dbraw/zinc/33/97/84/590339784.db2.gz ZFISHAQLYWDMNW-UHFFFAOYSA-N 1 0 246.354 2.052 20 10 BECDRO Cc1ccc(C[NH2+]CC2=CCCOC2)c(O)c1 ZINC000877531746 590349302 /nfs/dbraw/zinc/34/93/02/590349302.db2.gz BUCXGRDAASOVCQ-UHFFFAOYSA-N 1 0 233.311 2.137 20 10 BECDRO COCC(C)(C)C[NH2+]Cc1ccc(C)cc1O ZINC000877547066 590352713 /nfs/dbraw/zinc/35/27/13/590352713.db2.gz QEMCVMXUHQSXNT-UHFFFAOYSA-N 1 0 237.343 2.463 20 10 BECDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877553800 590356144 /nfs/dbraw/zinc/35/61/44/590356144.db2.gz YPRSQGUPYLJELG-CQSZACIVSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(C[NH2+]CC[C@@H](C)CCO)c(O)c1 ZINC000877556419 590357921 /nfs/dbraw/zinc/35/79/21/590357921.db2.gz GBYHXDRYWBTGHL-LLVKDONJSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCOC2(C)C)c(O)c1 ZINC000877562152 590359696 /nfs/dbraw/zinc/35/96/96/590359696.db2.gz VTPLNYKTBBYDNH-CYBMUJFWSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CC(C)(C)O ZINC000877563692 590360775 /nfs/dbraw/zinc/36/07/75/590360775.db2.gz RAOGCZYJNRIRMA-NSHDSACASA-N 1 0 237.343 2.340 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](C)CC(C)(C)O)c(O)c1 ZINC000877563216 590361005 /nfs/dbraw/zinc/36/10/05/590361005.db2.gz IIGIJSWIRQQBAD-NSHDSACASA-N 1 0 237.343 2.340 20 10 BECDRO COCC1(C)C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877582101 590365708 /nfs/dbraw/zinc/36/57/08/590365708.db2.gz IJFBGEZRJWSPEU-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(C[NH2+]CCC2(CO)CCC2)c(O)c1 ZINC000877615236 590374430 /nfs/dbraw/zinc/37/44/30/590374430.db2.gz SBPSINHNAJCZNA-UHFFFAOYSA-N 1 0 249.354 2.343 20 10 BECDRO Cc1ccc(C[N@@H+](C[C@H](C)O)C2CC2)c(O)c1 ZINC000877621327 590375569 /nfs/dbraw/zinc/37/55/69/590375569.db2.gz QOQZUWUBSMREDV-NSHDSACASA-N 1 0 235.327 2.046 20 10 BECDRO COCC1(C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877618103 590376099 /nfs/dbraw/zinc/37/60/99/590376099.db2.gz HNUXSBDPSFXREI-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO COCCC1C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877623770 590377020 /nfs/dbraw/zinc/37/70/20/590377020.db2.gz ZPOYFGXDBJKBJO-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877636501 590380670 /nfs/dbraw/zinc/38/06/70/590380670.db2.gz YXOQOJGJSKUGSE-CQSZACIVSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H](C)c1nccn1C ZINC000877639937 590381237 /nfs/dbraw/zinc/38/12/37/590381237.db2.gz HAFDEWTZTXFOAE-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1c(C)cccc1O ZINC000877654239 590385528 /nfs/dbraw/zinc/38/55/28/590385528.db2.gz NBUMOSNWFHAOKM-KGLIPLIRSA-N 1 0 235.327 2.358 20 10 BECDRO CCC[C@H](CCO)[NH2+]Cc1c(C)cccc1O ZINC000877666465 590388490 /nfs/dbraw/zinc/38/84/90/590388490.db2.gz BVNQESKQQYWSLO-GFCCVEGCSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000877700422 590395220 /nfs/dbraw/zinc/39/52/20/590395220.db2.gz OWSBGAUCNJVADS-GJZGRUSLSA-N 1 0 248.370 2.064 20 10 BECDRO Oc1cccc2c1CN(CC1(F)CC1)C2 ZINC000877702817 590395945 /nfs/dbraw/zinc/39/59/45/590395945.db2.gz IUAMELQGRQYQKL-UHFFFAOYSA-N 1 0 207.248 2.210 20 10 BECDRO CCn1cc(CN2Cc3cccc(O)c3C2)cn1 ZINC000877702755 590396691 /nfs/dbraw/zinc/39/66/91/590396691.db2.gz GJPJZQBXNNFWKI-UHFFFAOYSA-N 1 0 243.310 2.124 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1O ZINC000877755856 590417747 /nfs/dbraw/zinc/41/77/47/590417747.db2.gz OZTIGFDMUFHJSJ-LOWVWBTDSA-N 1 0 235.327 2.468 20 10 BECDRO Cc1ncc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000877757349 590417850 /nfs/dbraw/zinc/41/78/50/590417850.db2.gz RYHQWIUOQJSLQE-JTQLQIEISA-N 1 0 243.310 2.341 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)C2)cc1C ZINC000129466829 591303345 /nfs/dbraw/zinc/30/33/45/591303345.db2.gz RHQYVWOMNYJJGF-HNNXBMFYSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccn(C)n2)c1 ZINC000213178568 591454788 /nfs/dbraw/zinc/45/47/88/591454788.db2.gz FBIQBJKHEBRHPD-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO C[C@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000131098251 591552754 /nfs/dbraw/zinc/55/27/54/591552754.db2.gz OYJKGUDQCPDEGJ-ONGXEEELSA-N 1 0 249.310 2.399 20 10 BECDRO C1=CCC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000131184040 591566556 /nfs/dbraw/zinc/56/65/56/591566556.db2.gz CLSQWERKMSYXNS-UHFFFAOYSA-N 1 0 215.296 2.430 20 10 BECDRO C[N@H+](Cc1ccccc1O)C1CCOCC1 ZINC000132632816 591725932 /nfs/dbraw/zinc/72/59/32/591725932.db2.gz PGTLNVWZWBEZAW-UHFFFAOYSA-N 1 0 221.300 2.003 20 10 BECDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc(N)cc1 ZINC000884009322 591796495 /nfs/dbraw/zinc/79/64/95/591796495.db2.gz SRRZJWBDJVLTHM-GFCCVEGCSA-N 1 0 249.358 2.217 20 10 BECDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000134957949 591962963 /nfs/dbraw/zinc/96/29/63/591962963.db2.gz XJQQACHLYWFCSF-VHSXEESVSA-N 1 0 249.310 2.351 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC000136823938 592151146 /nfs/dbraw/zinc/15/11/46/592151146.db2.gz FHYXHEGYJKYZLH-CHWSQXEVSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@@H]([NH2+]C[C@@H]1C[C@]12CCOC2)c1ccccc1O ZINC000886310282 592205279 /nfs/dbraw/zinc/20/52/79/592205279.db2.gz IKPMUSSJLXFZMN-XUJVJEKNSA-N 1 0 247.338 2.469 20 10 BECDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000223660107 592537670 /nfs/dbraw/zinc/53/76/70/592537670.db2.gz OKWOUWRPLFZERB-NWDGAFQWSA-N 1 0 237.343 2.450 20 10 BECDRO COC1(CC[NH2+]Cc2ccccc2O)CCC1 ZINC000310205456 635391863 /nfs/dbraw/zinc/39/18/63/635391863.db2.gz BQJWXQGKNXCHCF-UHFFFAOYSA-N 1 0 235.327 2.441 20 10 BECDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C12CCC2 ZINC000308343746 631297232 /nfs/dbraw/zinc/29/72/32/631297232.db2.gz LPIQREKRZBNMSK-KGLIPLIRSA-N 1 0 247.338 2.439 20 10 BECDRO Cc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)c(O)c1 ZINC000877306956 635675670 /nfs/dbraw/zinc/67/56/70/635675670.db2.gz BNRKZRVBDXZGAB-SMDDNHRTSA-N 1 0 235.327 2.358 20 10 BECDRO C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000096942640 631656179 /nfs/dbraw/zinc/65/61/79/631656179.db2.gz VQVDRPCXQLOKPX-JTQLQIEISA-N 1 0 249.310 2.495 20 10 BECDRO Oc1cc2c(cc1C[NH+]1CCCCCC1)OCO2 ZINC000096942573 631657237 /nfs/dbraw/zinc/65/72/37/631657237.db2.gz IHPZIBNPGNFPOO-UHFFFAOYSA-N 1 0 249.310 2.497 20 10 BECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CO)c1O ZINC000309367914 632022291 /nfs/dbraw/zinc/02/22/91/632022291.db2.gz BMSMKTYYNNMPJZ-DTWKUNHWSA-N 1 0 243.734 2.385 20 10 BECDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000829418834 632111414 /nfs/dbraw/zinc/11/14/14/632111414.db2.gz GEJKAVMLADGQCG-DZGCQCFKSA-N 1 0 248.370 2.267 20 10 BECDRO COc1cc(C)cc(C[NH2+]CC(C)C)c1O ZINC000894145273 635715468 /nfs/dbraw/zinc/71/54/68/635715468.db2.gz JWYBTBCXMBVFKP-UHFFFAOYSA-N 1 0 223.316 2.455 20 10 BECDRO C[C@H]1CC2(CC([NH2+]Cc3ccccc3O)C2)CO1 ZINC000924903849 635760053 /nfs/dbraw/zinc/76/00/53/635760053.db2.gz WXMXRPWOWAUHON-ZOODHJKOSA-N 1 0 247.338 2.439 20 10 BECDRO COC[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000309513359 632432894 /nfs/dbraw/zinc/43/28/94/632432894.db2.gz QKFGZDNODWWBSG-ONGXEEELSA-N 1 0 221.300 2.004 20 10 BECDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000158220279 632462327 /nfs/dbraw/zinc/46/23/27/632462327.db2.gz CZYJPRIKNSJMRC-CHWSQXEVSA-N 1 0 235.327 2.439 20 10 BECDRO C[C@@H]1CC([NH2+]Cc2ccccc2O)C[C@@H](C)O1 ZINC000162138983 632520004 /nfs/dbraw/zinc/52/00/04/632520004.db2.gz JMINENGYSVFNSC-GHMZBOCLSA-N 1 0 235.327 2.438 20 10 BECDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000091937869 632661319 /nfs/dbraw/zinc/66/13/19/632661319.db2.gz HOKHIFWFUMVSKX-AOOOYVTPSA-N 1 0 249.310 2.494 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000310737505 632926992 /nfs/dbraw/zinc/92/69/92/632926992.db2.gz PXXDACKBEIPKPY-TZMCWYRMSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](CO)C2)c1 ZINC000310737501 632927564 /nfs/dbraw/zinc/92/75/64/632927564.db2.gz PXXDACKBEIPKPY-JSGCOSHPSA-N 1 0 249.354 2.341 20 10 BECDRO COc1ccc(O)c(C[NH2+]C[C@H](C)SC)c1 ZINC000162710751 633037354 /nfs/dbraw/zinc/03/73/54/633037354.db2.gz XJSJYGZOWGZFMV-VIFPVBQESA-N 1 0 241.356 2.242 20 10 BECDRO Cc1cc(C)c(O)c(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000163979457 633067486 /nfs/dbraw/zinc/06/74/86/633067486.db2.gz BNTAYWWAJXXNHW-LBPRGKRZSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000168676253 633148251 /nfs/dbraw/zinc/14/82/51/633148251.db2.gz BVIZWRKHPIRJTJ-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO COC[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000309513356 633187530 /nfs/dbraw/zinc/18/75/30/633187530.db2.gz QKFGZDNODWWBSG-GXSJLCMTSA-N 1 0 221.300 2.004 20 10 BECDRO CO[C@H](C)C[N@H+](C)Cc1cc(C)ccc1O ZINC000304662762 635947072 /nfs/dbraw/zinc/94/70/72/635947072.db2.gz WIUSUOJOKBFOJU-LLVKDONJSA-N 1 0 223.316 2.167 20 10 BECDRO CCOc1ccc(C[NH2+]CCSC)c(O)c1 ZINC000309648950 633982512 /nfs/dbraw/zinc/98/25/12/633982512.db2.gz NJEHTTSNOWROBO-UHFFFAOYSA-N 1 0 241.356 2.244 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@H](CF)C2)c(O)c1 ZINC000895569080 636159650 /nfs/dbraw/zinc/15/96/50/636159650.db2.gz RZJBKJKNORZAQS-LLVKDONJSA-N 1 0 223.291 2.492 20 10 BECDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1O ZINC000854232445 634052352 /nfs/dbraw/zinc/05/23/52/634052352.db2.gz PVGQMFBFBNCZRD-ZYHUDNBSSA-N 1 0 236.359 2.268 20 10 BECDRO CC[C@H]([NH2+]C[C@@H](C)O)c1cc(Cl)ccc1O ZINC000309994474 634052225 /nfs/dbraw/zinc/05/22/25/634052225.db2.gz BTOPVBUPFFCCTG-KCJUWKMLSA-N 1 0 243.734 2.467 20 10 BECDRO CC[C@@H]([NH2+][C@@H](C)CO)c1cc(Cl)ccc1O ZINC000310000764 634061210 /nfs/dbraw/zinc/06/12/10/634061210.db2.gz DSPVJLXYAGOWTA-GZMMTYOYSA-N 1 0 243.734 2.467 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C1CC(O)C1 ZINC000840938375 635182521 /nfs/dbraw/zinc/18/25/21/635182521.db2.gz CQQFWDGZGADINZ-UHFFFAOYSA-N 1 0 248.370 2.016 20 10 BECDRO C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000005066610 635197467 /nfs/dbraw/zinc/19/74/67/635197467.db2.gz VNNZMNLBBBKVPM-SNVBAGLBSA-N 1 0 249.310 2.353 20 10 BECDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2O)O1 ZINC000162939875 635205105 /nfs/dbraw/zinc/20/51/05/635205105.db2.gz ULVKZBYNQVIVNK-PWSUYJOCSA-N 1 0 221.300 2.049 20 10 BECDRO CC(C)(CO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258972162 635231648 /nfs/dbraw/zinc/23/16/48/635231648.db2.gz YYPXOSSOBHKVLV-UHFFFAOYSA-N 1 0 249.354 2.120 20 10 BECDRO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C)cc1O ZINC000925782590 635278566 /nfs/dbraw/zinc/27/85/66/635278566.db2.gz GRKBYUGGFAGAMY-KWCYVHTRSA-N 1 0 248.370 2.349 20 10 BECDRO CC(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000034824097 635823731 /nfs/dbraw/zinc/82/37/31/635823731.db2.gz XRNPWTCLCFQCPJ-UHFFFAOYSA-N 1 0 248.370 2.146 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000927147247 637056442 /nfs/dbraw/zinc/05/64/42/637056442.db2.gz JXAQTDFSJMNTKO-IJLUTSLNSA-N 1 0 235.327 2.122 20 10 BECDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000128520539 637084911 /nfs/dbraw/zinc/08/49/11/637084911.db2.gz MFVBBFJZHCPSBN-OLZOCXBDSA-N 1 0 248.370 2.362 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCn2cccn2)c1 ZINC000042539424 637277994 /nfs/dbraw/zinc/27/79/94/637277994.db2.gz VEIMSMBBMHZYMO-LBPRGKRZSA-N 1 0 245.326 2.248 20 10 BECDRO CC[C@H](CO)[NH2+]Cc1ccc(N(C)CC)cc1 ZINC000931774090 640366004 /nfs/dbraw/zinc/36/60/04/640366004.db2.gz IRHJFRKMMSAKNV-CYBMUJFWSA-N 1 0 236.359 2.003 20 10 BECDRO COc1ccc(C[NH2+]CC2(C)CC2)c(O)c1 ZINC000224167584 640601998 /nfs/dbraw/zinc/60/19/98/640601998.db2.gz YKXOUXVVLDVDGO-UHFFFAOYSA-N 1 0 221.300 2.291 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1O ZINC000224865372 640645238 /nfs/dbraw/zinc/64/52/38/640645238.db2.gz ULGHBMCTHPYYSE-TZMCWYRMSA-N 1 0 249.354 2.341 20 10 BECDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccccc1O ZINC000157458045 640685734 /nfs/dbraw/zinc/68/57/34/640685734.db2.gz SJKXMQLEHJNTFX-LLVKDONJSA-N 1 0 235.327 2.205 20 10 BECDRO CSCC[NH2+]Cc1cccc(C)c1O ZINC000157755461 640731236 /nfs/dbraw/zinc/73/12/36/640731236.db2.gz PRSCPHXLOWUVSR-UHFFFAOYSA-N 1 0 211.330 2.153 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CCc1ccccn1 ZINC000226582172 640776611 /nfs/dbraw/zinc/77/66/11/640776611.db2.gz CZUNGRWYSYVKSU-UHFFFAOYSA-N 1 0 246.285 2.259 20 10 BECDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230152955 641031589 /nfs/dbraw/zinc/03/15/89/641031589.db2.gz RXJGGFDONUZBMP-DOMZBBRYSA-N 1 0 248.370 2.410 20 10 BECDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230152951 641032023 /nfs/dbraw/zinc/03/20/23/641032023.db2.gz RXJGGFDONUZBMP-WFASDCNBSA-N 1 0 248.370 2.410 20 10 BECDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccccc1O ZINC000230150857 641032483 /nfs/dbraw/zinc/03/24/83/641032483.db2.gz GGKMMYVESVGHSB-ZWNOBZJWSA-N 1 0 221.300 2.049 20 10 BECDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(F)ccc1O ZINC000230392240 641049098 /nfs/dbraw/zinc/04/90/98/641049098.db2.gz HKJGKNWXENXBML-RNCFNFMXSA-N 1 0 239.290 2.188 20 10 BECDRO Cc1cccc(C[NH2+][C@]2(C)CCO[C@H]2C)c1O ZINC000230392195 641049178 /nfs/dbraw/zinc/04/91/78/641049178.db2.gz OTLCRYHXJPKOEH-SMDDNHRTSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1O ZINC000230392192 641049207 /nfs/dbraw/zinc/04/92/07/641049207.db2.gz OTLCRYHXJPKOEH-FZMZJTMJSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1 ZINC000230670865 641077757 /nfs/dbraw/zinc/07/77/57/641077757.db2.gz FPIRVPAJNPUPBN-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1 ZINC000230679395 641081017 /nfs/dbraw/zinc/08/10/17/641081017.db2.gz FDINWLSTXNVXLH-UKRRQHHQSA-N 1 0 248.370 2.003 20 10 BECDRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccccc1O ZINC000230899634 641116414 /nfs/dbraw/zinc/11/64/14/641116414.db2.gz JNZMJUGXXZIHSG-LLVKDONJSA-N 1 0 245.326 2.019 20 10 BECDRO COc1cccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000827506364 641365207 /nfs/dbraw/zinc/36/52/07/641365207.db2.gz GRZTWKYFMFGTPN-ZYHUDNBSSA-N 1 0 233.311 2.243 20 10 BECDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000313038537 641527392 /nfs/dbraw/zinc/52/73/92/641527392.db2.gz CDVCLYOASPNUEV-AWEZNQCLSA-N 1 0 247.338 2.136 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC000152815477 641652356 /nfs/dbraw/zinc/65/23/56/641652356.db2.gz DSJNXBPRVBWJFQ-NFAWXSAZSA-N 1 0 247.338 2.419 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1 ZINC000047706998 641658488 /nfs/dbraw/zinc/65/84/88/641658488.db2.gz UEXGCSIJYHSHFJ-CQSZACIVSA-N 1 0 248.370 2.221 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1 ZINC000914433201 641701579 /nfs/dbraw/zinc/70/15/79/641701579.db2.gz LPRNGIKESHPBJN-KGLIPLIRSA-N 1 0 247.338 2.215 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1 ZINC000914433203 641702607 /nfs/dbraw/zinc/70/26/07/641702607.db2.gz LPRNGIKESHPBJN-ZIAGYGMSSA-N 1 0 247.338 2.215 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)CC2(CO)CC2)cc1C ZINC000188953170 641779329 /nfs/dbraw/zinc/77/93/29/641779329.db2.gz IPBRGEYVCRTQME-UHFFFAOYSA-N 1 0 249.354 2.213 20 10 BECDRO COCCC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000921187010 642583558 /nfs/dbraw/zinc/58/35/58/642583558.db2.gz AJSLXQYFTGJUBW-UHFFFAOYSA-N 1 0 249.354 2.349 20 10 BECDRO Cc1cccc(C[NH2+]C[C@](C)(O)C(C)C)c1O ZINC000182222101 642976103 /nfs/dbraw/zinc/97/61/03/642976103.db2.gz DDUQMJQEYICVHM-AWEZNQCLSA-N 1 0 237.343 2.197 20 10 BECDRO CC[C@](C)(CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000070899087 643079321 /nfs/dbraw/zinc/07/93/21/643079321.db2.gz FFTMWEWMHJEBEA-GFCCVEGCSA-N 1 0 243.734 2.296 20 10 BECDRO CSCC[NH2+]Cc1c(O)cccc1Cl ZINC000083551390 643537258 /nfs/dbraw/zinc/53/72/58/643537258.db2.gz TYUNOZAZNZKNJD-UHFFFAOYSA-N 1 0 231.748 2.498 20 10 BECDRO CCOC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000044688683 643547596 /nfs/dbraw/zinc/54/75/96/643547596.db2.gz PDIYSYCEVSBZRQ-GHMZBOCLSA-N 1 0 223.316 2.468 20 10 BECDRO C[C@@H](CCO)C[NH2+]Cc1cc(Cl)ccc1O ZINC000085126956 643685602 /nfs/dbraw/zinc/68/56/02/643685602.db2.gz KRBQSLUTBACGLL-VIFPVBQESA-N 1 0 243.734 2.154 20 10 BECDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N(C)C ZINC000921687150 643742363 /nfs/dbraw/zinc/74/23/63/643742363.db2.gz YAWWTLTVKOZDML-GFCCVEGCSA-N 1 0 248.370 2.051 20 10 BECDRO CC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921704886 643758411 /nfs/dbraw/zinc/75/84/11/643758411.db2.gz NQUGDLPLKJEKKP-HNNXBMFYSA-N 1 0 249.354 2.262 20 10 BECDRO OCC1([NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000921860677 643811054 /nfs/dbraw/zinc/81/10/54/643811054.db2.gz ULUJMKZHZSBYSI-UHFFFAOYSA-N 1 0 247.338 2.016 20 10 BECDRO CC(C)(O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922013519 643845111 /nfs/dbraw/zinc/84/51/11/643845111.db2.gz BQZLWFLCXOPXAF-UHFFFAOYSA-N 1 0 249.354 2.262 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC2)c1 ZINC000087784457 644502486 /nfs/dbraw/zinc/50/24/86/644502486.db2.gz XPPQZHLATQOMFV-MNOVXSKESA-N 1 0 221.300 2.140 20 10 BECDRO CC[C@H]([NH2+][C@H]1CCOC1)c1ccccc1O ZINC000087784631 644503434 /nfs/dbraw/zinc/50/34/34/644503434.db2.gz VUXJNRZMXWZVNM-JQWIXIFHSA-N 1 0 221.300 2.222 20 10 BECDRO C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756448381 644628155 /nfs/dbraw/zinc/62/81/55/644628155.db2.gz BWEMGJSXVXUYCO-NQMVMOMDSA-N 1 0 239.290 2.050 20 10 BECDRO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(F)ccc1O ZINC000094617842 644720746 /nfs/dbraw/zinc/72/07/46/644720746.db2.gz AOWXLUSKKIUOIJ-MRVPVSSYSA-N 1 0 235.262 2.105 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1C ZINC000249839895 644741636 /nfs/dbraw/zinc/74/16/36/644741636.db2.gz FWELMNFXNUXWTQ-GXTWGEPZSA-N 1 0 249.354 2.212 20 10 BECDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccccc1O ZINC000783518250 644755167 /nfs/dbraw/zinc/75/51/67/644755167.db2.gz LINSZVVLXCXWMQ-GWCFXTLKSA-N 1 0 235.327 2.204 20 10 BECDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccccc1O ZINC000783520182 644755717 /nfs/dbraw/zinc/75/57/17/644755717.db2.gz YWDHYBNNWLKGBQ-PWSUYJOCSA-N 1 0 235.327 2.204 20 10 BECDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccccc1O ZINC000783518254 644756081 /nfs/dbraw/zinc/75/60/81/644756081.db2.gz LINSZVVLXCXWMQ-MFKMUULPSA-N 1 0 235.327 2.204 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@](C)(O)C(C)C)c1 ZINC000304073168 644869552 /nfs/dbraw/zinc/86/95/52/644869552.db2.gz WDOSTGWGCHHFKO-CQSZACIVSA-N 1 0 237.343 2.197 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(F)cc1[O-] ZINC000817979831 644992862 /nfs/dbraw/zinc/99/28/62/644992862.db2.gz PNOJIIRXJCWQIW-AUTRQRHGSA-N 1 0 240.322 2.308 20 10 BECDRO Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000817984662 644993867 /nfs/dbraw/zinc/99/38/67/644993867.db2.gz XDMQPFYHTKTWQT-CHWSQXEVSA-N 1 0 248.370 2.493 20 10 BECDRO CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981152 644994174 /nfs/dbraw/zinc/99/41/74/644994174.db2.gz ZMOILFZPGXGTPP-CBAPKCEASA-N 1 0 244.285 2.058 20 10 BECDRO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984384 644994403 /nfs/dbraw/zinc/99/44/03/644994403.db2.gz RVHRXKWUEINOOZ-NEPJUHHUSA-N 1 0 234.343 2.185 20 10 BECDRO CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981154 644995271 /nfs/dbraw/zinc/99/52/71/644995271.db2.gz ZMOILFZPGXGTPP-VXNVDRBHSA-N 1 0 244.285 2.058 20 10 BECDRO Cc1ccc([C@H](C)N[C@H]2CCCC[NH2+]C2)c(O)c1 ZINC000817983391 644995698 /nfs/dbraw/zinc/99/56/98/644995698.db2.gz BPKGYUAYEBCMFE-STQMWFEESA-N 1 0 248.370 2.493 20 10 BECDRO CCN(Cc1ccc(N(C)C)cc1)CC(C)(C)[NH3+] ZINC000843060175 645257514 /nfs/dbraw/zinc/25/75/14/645257514.db2.gz WRPUWFICIOFZQV-UHFFFAOYSA-N 1 0 249.402 2.312 20 10 BECDRO Cc1cccc(O)c1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000877628827 645803841 /nfs/dbraw/zinc/80/38/41/645803841.db2.gz NDECYORMSKBRAP-VXGBXAGGSA-N 1 0 249.354 2.149 20 10 BECDRO Cc1ccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c(O)c1 ZINC000877628007 645804837 /nfs/dbraw/zinc/80/48/37/645804837.db2.gz CGLIPPXKCSKBRA-VXGBXAGGSA-N 1 0 249.354 2.149 20 10 BECDRO C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cc1[O-] ZINC000925738243 646460101 /nfs/dbraw/zinc/46/01/01/646460101.db2.gz OTTMLMSTBNFXLB-VIFPVBQESA-N 1 0 240.322 2.309 20 10 BECDRO CCC[C@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000716815455 712576438 /nfs/dbraw/zinc/57/64/38/712576438.db2.gz RMXHNZFMNMYSNQ-GFCCVEGCSA-N 1 0 241.306 2.172 20 10 BECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccccc1O ZINC000716955670 712599874 /nfs/dbraw/zinc/59/98/74/712599874.db2.gz QVKDUJYLKNGQHN-PWSUYJOCSA-N 1 0 223.316 2.031 20 10 BECDRO COC(C)(C)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000720154603 712828097 /nfs/dbraw/zinc/82/80/97/712828097.db2.gz CQHZPYXWYCQKEI-VIFPVBQESA-N 1 0 241.306 2.434 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCCOC[C@@H]2C)c1 ZINC000398952808 710910574 /nfs/dbraw/zinc/91/05/74/710910574.db2.gz SQOAFMJTLGMZLV-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO CC[C@]1([NH2+]Cc2cc(C)ccc2O)CCOC1 ZINC000383150854 710977741 /nfs/dbraw/zinc/97/77/41/710977741.db2.gz BCYROZADEDFANY-AWEZNQCLSA-N 1 0 235.327 2.359 20 10 BECDRO COCC1([NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000383116424 710978157 /nfs/dbraw/zinc/97/81/57/710978157.db2.gz SCSLVRVDCWJLDI-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO CN(C)c1ccc(CN(C)C2(C[NH3+])CCC2)cc1 ZINC000385258038 711008096 /nfs/dbraw/zinc/00/80/96/711008096.db2.gz XCKGUXIABCFXOZ-UHFFFAOYSA-N 1 0 247.386 2.066 20 10 BECDRO Cc1cccc(CN[C@H](C)C(F)F)c1O ZINC000389971813 711101093 /nfs/dbraw/zinc/10/10/93/711101093.db2.gz VRHKGWUBSAQCQB-MRVPVSSYSA-N 1 0 215.243 2.444 20 10 BECDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)c2nccn21 ZINC000393318282 711158004 /nfs/dbraw/zinc/15/80/04/711158004.db2.gz CYAVOGIXFNBFCP-JQWIXIFHSA-N 1 0 243.310 2.384 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000394022389 711181924 /nfs/dbraw/zinc/18/19/24/711181924.db2.gz CYGZDSROCJSHOD-ZDUSSCGKSA-N 1 0 237.343 2.055 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2COC(C)(C)C2)c1O ZINC000396535843 711354145 /nfs/dbraw/zinc/35/41/45/711354145.db2.gz LOOKGPQAIGLJII-LBPRGKRZSA-N 1 0 235.327 2.358 20 10 BECDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CO1 ZINC000396558886 711354543 /nfs/dbraw/zinc/35/45/43/711354543.db2.gz VPNMVRNJYITXHV-ZDUSSCGKSA-N 1 0 247.338 2.279 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CCCOC(F)F ZINC000398174025 711403836 /nfs/dbraw/zinc/40/38/36/711403836.db2.gz BEKKMOPEWZLJNL-UHFFFAOYSA-N 1 0 249.232 2.250 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCCOC(F)F)c1 ZINC000398205349 711404500 /nfs/dbraw/zinc/40/45/00/711404500.db2.gz RECYDAOMMDVMDO-UHFFFAOYSA-N 1 0 245.269 2.420 20 10 BECDRO CC(C)[C@](C)(CO)[NH2+]Cc1cc(F)ccc1O ZINC000398581248 711411876 /nfs/dbraw/zinc/41/18/76/711411876.db2.gz OVTXTBBVVPGREU-ZDUSSCGKSA-N 1 0 241.306 2.028 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCCOC[C@H]2C)c1 ZINC000398952807 710909973 /nfs/dbraw/zinc/90/99/73/710909973.db2.gz SQOAFMJTLGMZLV-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000392453181 711149055 /nfs/dbraw/zinc/14/90/55/711149055.db2.gz HROGNEVVVRFLKR-RKDXNWHRSA-N 1 0 246.314 2.231 20 10 BECDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2O)C[C@H]1C[NH3+] ZINC000397322904 711380272 /nfs/dbraw/zinc/38/02/72/711380272.db2.gz TYSPKHNEKYQMHF-YRGRVCCFSA-N 1 0 248.370 2.197 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000724813723 711616616 /nfs/dbraw/zinc/61/66/16/711616616.db2.gz GZLHDVCLYGEUPI-DOMZBBRYSA-N 1 0 247.338 2.311 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CCCF)CC2 ZINC000308911922 711619145 /nfs/dbraw/zinc/61/91/45/711619145.db2.gz XTIHDFXEQFEPSO-JTQLQIEISA-N 1 0 209.264 2.329 20 10 BECDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](C)O ZINC000395294843 711693712 /nfs/dbraw/zinc/69/37/12/711693712.db2.gz DAEBPFSINKZYIQ-KWQFWETISA-N 1 0 243.734 2.295 20 10 BECDRO CCC1(C[NH2+][C@H]2CCc3cccc(O)c32)COC1 ZINC000393960616 711757698 /nfs/dbraw/zinc/75/76/98/711757698.db2.gz DOGDZEFEOSWJHL-LBPRGKRZSA-N 1 0 247.338 2.396 20 10 BECDRO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C)c1O ZINC000160248597 711806312 /nfs/dbraw/zinc/80/63/12/711806312.db2.gz MMQIZXUVCORDSQ-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccno1 ZINC000700904591 712010097 /nfs/dbraw/zinc/01/00/97/712010097.db2.gz MBCAQZQOMIZNMQ-UHFFFAOYSA-N 1 0 243.310 2.086 20 10 BECDRO CCO[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000701662464 712026870 /nfs/dbraw/zinc/02/68/70/712026870.db2.gz PVIXDAAGQJUOTE-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO COc1ccc(C[NH2+]CCC2CC(O)C2)cc1C ZINC000702439261 712053355 /nfs/dbraw/zinc/05/33/55/712053355.db2.gz DCTMIRLXVVLAEW-UHFFFAOYSA-N 1 0 249.354 2.254 20 10 BECDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000706547466 712149385 /nfs/dbraw/zinc/14/93/85/712149385.db2.gz XZQJMRYKLGOHPN-MQMHXKEQSA-N 1 0 234.343 2.020 20 10 BECDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000707639227 712175808 /nfs/dbraw/zinc/17/58/08/712175808.db2.gz GTNPWEHMKCKGKO-BZPMIXESSA-N 1 0 248.370 2.174 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(C)ccc2O)C1 ZINC000708690894 712196766 /nfs/dbraw/zinc/19/67/66/712196766.db2.gz VKCHTMGSWQQGAE-BJHJDKERSA-N 1 0 235.327 2.215 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000708690932 712196967 /nfs/dbraw/zinc/19/69/67/712196967.db2.gz YDUHMMGKLADTIL-SDDRHHMPSA-N 1 0 235.327 2.468 20 10 BECDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000708690934 712197075 /nfs/dbraw/zinc/19/70/75/712197075.db2.gz YDUHMMGKLADTIL-UTUOFQBUSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccccc1O ZINC000710185114 712247709 /nfs/dbraw/zinc/24/77/09/712247709.db2.gz OJPVBZUUCAWHRK-MNOVXSKESA-N 1 0 235.327 2.204 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H]1C=CCC1 ZINC000711657568 712314510 /nfs/dbraw/zinc/31/45/10/712314510.db2.gz XBSGABBOKFMZGO-NSHDSACASA-N 1 0 203.285 2.448 20 10 BECDRO CC[C@@]1([NH2+]Cc2ccc(N(C)C)cc2)CCOC1 ZINC000378837521 712362702 /nfs/dbraw/zinc/36/27/02/712362702.db2.gz WDEDAUVZVZMIEF-OAHLLOKOSA-N 1 0 248.370 2.411 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C)c(O)c1 ZINC000712588802 712435342 /nfs/dbraw/zinc/43/53/42/712435342.db2.gz YLFXSQYQXWUZEQ-RYUDHWBXSA-N 1 0 234.343 2.055 20 10 BECDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000712530573 712441551 /nfs/dbraw/zinc/44/15/51/712441551.db2.gz PAFAHUUEFREUJK-QWHCGFSZSA-N 1 0 248.370 2.445 20 10 BECDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000712530568 712441654 /nfs/dbraw/zinc/44/16/54/712441654.db2.gz PAFAHUUEFREUJK-CHWSQXEVSA-N 1 0 248.370 2.445 20 10 BECDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000712561566 712446045 /nfs/dbraw/zinc/44/60/45/712446045.db2.gz CZBVVZGBDGADGH-NWDGAFQWSA-N 1 0 234.343 2.137 20 10 BECDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000714445104 712489868 /nfs/dbraw/zinc/48/98/68/712489868.db2.gz ZUVQNUZFRTYXPW-UTUOFQBUSA-N 1 0 235.327 2.468 20 10 BECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CC12CC2 ZINC000715258662 712514780 /nfs/dbraw/zinc/51/47/80/712514780.db2.gz YPWQJDJCUUCDRZ-LLVKDONJSA-N 1 0 207.248 2.173 20 10 BECDRO Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)[nH]n1 ZINC000716461848 712562737 /nfs/dbraw/zinc/56/27/37/712562737.db2.gz BLPRNPJZVQFYTM-VIFPVBQESA-N 1 0 249.289 2.414 20 10 BECDRO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccccc1O ZINC000716483456 712565311 /nfs/dbraw/zinc/56/53/11/712565311.db2.gz OCGWHHFWIQNJQJ-JTQLQIEISA-N 1 0 231.299 2.275 20 10 BECDRO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccccc1O ZINC000716483458 712565414 /nfs/dbraw/zinc/56/54/14/712565414.db2.gz OCGWHHFWIQNJQJ-SNVBAGLBSA-N 1 0 231.299 2.275 20 10 BECDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)[nH]n1 ZINC000716492556 712566076 /nfs/dbraw/zinc/56/60/76/712566076.db2.gz GJKHEKGOKKZFIB-SNVBAGLBSA-N 1 0 231.299 2.275 20 10 BECDRO C[N@H+](CCCF)Cc1cc(F)ccc1O ZINC000716631662 712568047 /nfs/dbraw/zinc/56/80/47/712568047.db2.gz YCRBYUQQYNCNAI-UHFFFAOYSA-N 1 0 215.243 2.323 20 10 BECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716886564 712580431 /nfs/dbraw/zinc/58/04/31/712580431.db2.gz BCCOOVYOFLTNDC-FZMZJTMJSA-N 1 0 249.354 2.261 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000826881693 712592681 /nfs/dbraw/zinc/59/26/81/712592681.db2.gz CPYNVXCDLYYIDT-HNNXBMFYSA-N 1 0 248.370 2.330 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000379960156 712636634 /nfs/dbraw/zinc/63/66/34/712636634.db2.gz AYKLECFJZKOBHI-ZDUSSCGKSA-N 1 0 233.311 2.483 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](CO)C2CCC2)c1O ZINC000717594656 712661105 /nfs/dbraw/zinc/66/11/05/712661105.db2.gz OTNZPJQGKHOICP-AWEZNQCLSA-N 1 0 249.354 2.205 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1O ZINC000384933183 712705613 /nfs/dbraw/zinc/70/56/13/712705613.db2.gz SRZRKOXLQCHDJZ-NQBHXWOUSA-N 1 0 235.327 2.356 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccccc1O ZINC000719647003 712820245 /nfs/dbraw/zinc/82/02/45/712820245.db2.gz MMVLGYCQMHYDBL-DMDPSCGWSA-N 1 0 234.343 2.135 20 10 BECDRO C[C@@H]1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1C ZINC000719648749 712820880 /nfs/dbraw/zinc/82/08/80/712820880.db2.gz RRJHJAQFKUCSQQ-RTXFEEFZSA-N 1 0 246.354 2.062 20 10 BECDRO Oc1ccc(O)c(C[NH+]2CC3(CCC3)C2)c1 ZINC001141156214 960890103 /nfs/dbraw/zinc/89/01/03/960890103.db2.gz HFTDIWVMIILUQQ-UHFFFAOYSA-N 1 0 219.284 2.084 20 10 BECDRO CCOc1cccc(C[N@@H+]2CC[C@H]2C)c1O ZINC001203602452 966701735 /nfs/dbraw/zinc/70/17/35/966701735.db2.gz XUTDSRPDLROPPF-SNVBAGLBSA-N 1 0 221.300 2.385 20 10 BECDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204272545 966952957 /nfs/dbraw/zinc/95/29/57/966952957.db2.gz PZLZPLNKAJPHPT-SECBINFHSA-N 1 0 207.273 2.082 20 10 BECDRO Nc1ccc(CO[C@@H]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001217804363 1166464114 /nfs/dbraw/zinc/46/41/14/1166464114.db2.gz XDBJJOGIWDNKOB-HUUCEWRRSA-N 1 0 246.354 2.318 20 10 BECDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000228084866 1166752273 /nfs/dbraw/zinc/75/22/73/1166752273.db2.gz AFWKSBLBYMPSOJ-NEPJUHHUSA-N 1 0 236.359 2.002 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CCC(F)F ZINC000379890766 1166809635 /nfs/dbraw/zinc/80/96/35/1166809635.db2.gz APQLFVDJQAIAES-UHFFFAOYSA-N 1 0 219.206 2.276 20 10 BECDRO C[N@@H+](Cc1ccc(N)cc1)C[C@@H]1CCCC[C@H]1O ZINC000385577957 1167395674 /nfs/dbraw/zinc/39/56/74/1167395674.db2.gz FDAFYLHNPBLLBK-DZGCQCFKSA-N 1 0 248.370 2.252 20 10 BECDRO CC[C@H](C)[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231633768 977655340 /nfs/dbraw/zinc/65/53/40/977655340.db2.gz WSQUKYUCXMUWRU-VIFPVBQESA-N 1 0 239.315 2.337 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c1O ZINC001231590724 1167661081 /nfs/dbraw/zinc/66/10/81/1167661081.db2.gz GAYGXLIORJGJMP-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO COCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000691839781 1169290918 /nfs/dbraw/zinc/29/09/18/1169290918.db2.gz UMEWUICHWXWVRR-LBPRGKRZSA-N 1 0 247.338 2.396 20 10 BECDRO Cc1ccc(F)c(Nc2cc[nH+]cc2)c1O ZINC001215735797 970820674 /nfs/dbraw/zinc/82/06/74/970820674.db2.gz FXJRZSJOUNZNMV-UHFFFAOYSA-N 1 0 218.231 2.400 20 10 BECDRO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000405604884 971283520 /nfs/dbraw/zinc/28/35/20/971283520.db2.gz OFLFREYMMPDMTE-TYNCELHUSA-N 1 0 248.370 2.266 20 10 BECDRO CC1(C)C[C@@H](OCc2ccc(N)cc2)CC[NH2+]1 ZINC001217935471 971539178 /nfs/dbraw/zinc/53/91/78/971539178.db2.gz CNIKMZGGZMVIIR-ZDUSSCGKSA-N 1 0 234.343 2.316 20 10 BECDRO Nc1ccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001218092814 971599013 /nfs/dbraw/zinc/59/90/13/971599013.db2.gz RXYSHBRHMMMBFB-ZIAGYGMSSA-N 1 0 232.327 2.180 20 10 BECDRO CCN1CCc2cc(O[C@H]3CCC[NH2+]C3)ccc21 ZINC001218285054 971679853 /nfs/dbraw/zinc/67/98/53/971679853.db2.gz BQQJKVJCEICWBM-AWEZNQCLSA-N 1 0 246.354 2.200 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@@H]1COC(C)(C)C1 ZINC000396497436 956883964 /nfs/dbraw/zinc/88/39/64/956883964.db2.gz HJTZRQBSXQVGBR-LBPRGKRZSA-N 1 0 235.327 2.392 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)C1CCC1)CC2 ZINC000315763282 972249304 /nfs/dbraw/zinc/24/93/04/972249304.db2.gz CTPFCODAHALZLI-OCCSQVGLSA-N 1 0 247.338 2.130 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](C)O ZINC000227121644 958711488 /nfs/dbraw/zinc/71/14/88/958711488.db2.gz IBTYYXHVEPNRAW-OUAUKWLOSA-N 1 0 235.327 2.219 20 10 BECDRO C[C@H]1C[NH2+]CCC[C@@H]1OCc1ccc(N)cc1 ZINC001217779590 959591238 /nfs/dbraw/zinc/59/12/38/959591238.db2.gz NUXVRFQZDRZMAF-FZMZJTMJSA-N 1 0 234.343 2.174 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC001140617471 960459874 /nfs/dbraw/zinc/45/98/74/960459874.db2.gz QGKAEMXSCXJOCT-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCCO3)C2)c1 ZINC001140619692 960461909 /nfs/dbraw/zinc/46/19/09/960461909.db2.gz KTKVOQHTHRHVAI-OAHLLOKOSA-N 1 0 247.338 2.456 20 10 BECDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140622589 960464361 /nfs/dbraw/zinc/46/43/61/960464361.db2.gz BGHOMMDBDPFMAE-ZFWWWQNUSA-N 1 0 247.338 2.454 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c1 ZINC001140619794 960465064 /nfs/dbraw/zinc/46/50/64/960465064.db2.gz OYLOKUVKYAZAIQ-AAEUAGOBSA-N 1 0 235.327 2.046 20 10 BECDRO CC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140623950 960465618 /nfs/dbraw/zinc/46/56/18/960465618.db2.gz YTNRMPMSMXNMJK-GFCCVEGCSA-N 1 0 233.311 2.112 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](CCCO)C(C)C)c1 ZINC001140621309 960467176 /nfs/dbraw/zinc/46/71/76/960467176.db2.gz VHZSJFRGXQTUFH-UHFFFAOYSA-N 1 0 237.343 2.293 20 10 BECDRO CCC[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140742423 960541286 /nfs/dbraw/zinc/54/12/86/960541286.db2.gz NWZZKPQHWHWZJI-UHFFFAOYSA-N 1 0 209.289 2.248 20 10 BECDRO Cc1c(O)ccc(C[N@@H+](C)C2CC2)c1O ZINC001140742557 960545071 /nfs/dbraw/zinc/54/50/71/960545071.db2.gz RWXXPKFTHCXBBK-UHFFFAOYSA-N 1 0 207.273 2.000 20 10 BECDRO Cc1c(O)ccc(C[N@@H+](C)C(C)C)c1O ZINC001140742532 960546383 /nfs/dbraw/zinc/54/63/83/960546383.db2.gz RBPFDBMCZVEFRH-UHFFFAOYSA-N 1 0 209.289 2.246 20 10 BECDRO Cc1c(O)ccc(C[NH+]2CC3(CCC3)C2)c1O ZINC001140744259 960546753 /nfs/dbraw/zinc/54/67/53/960546753.db2.gz QZGVTJFKDHRBOT-UHFFFAOYSA-N 1 0 233.311 2.392 20 10 BECDRO CC[N@H+](CCN(C)C)Cc1ccc(C)cc1O ZINC001140948537 960742347 /nfs/dbraw/zinc/74/23/47/960742347.db2.gz MQXOGVVWDLHDJO-UHFFFAOYSA-N 1 0 236.359 2.084 20 10 BECDRO Cc1ccc(C[N@H+](C)Cc2ccno2)c(O)c1 ZINC001140953580 960763855 /nfs/dbraw/zinc/76/38/55/960763855.db2.gz CITQERZASQBLLM-UHFFFAOYSA-N 1 0 232.283 2.321 20 10 BECDRO C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141138914 960885192 /nfs/dbraw/zinc/88/51/92/960885192.db2.gz DAVCDPCOTBNSGC-LBPRGKRZSA-N 1 0 246.354 2.500 20 10 BECDRO Oc1ccc(O)c(C[NH+]2CCC(F)(F)CC2)c1 ZINC001141155849 960892252 /nfs/dbraw/zinc/89/22/52/960892252.db2.gz MPUZIKIFWFRUFQ-UHFFFAOYSA-N 1 0 243.253 2.329 20 10 BECDRO CC[C@H](C)[N@H+](C)Cc1cc(O)ccc1O ZINC001141157449 960894269 /nfs/dbraw/zinc/89/42/69/960894269.db2.gz IHAHLHBRGWHRPN-VIFPVBQESA-N 1 0 209.289 2.328 20 10 BECDRO C[N@H+](Cc1cc(O)ccc1O)C1CCCC1 ZINC001141159666 960896468 /nfs/dbraw/zinc/89/64/68/960896468.db2.gz JCKFLIMZIFBZKO-UHFFFAOYSA-N 1 0 221.300 2.472 20 10 BECDRO Oc1ccc(O)c(C[N@H+](CC2CC2)C2CC2)c1 ZINC001141161909 960897198 /nfs/dbraw/zinc/89/71/98/960897198.db2.gz HJQDJPIBEKYZQJ-UHFFFAOYSA-N 1 0 233.311 2.472 20 10 BECDRO CC[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162695 960901456 /nfs/dbraw/zinc/90/14/56/960901456.db2.gz ABDFYKFXSIDPGG-SNVBAGLBSA-N 1 0 221.300 2.330 20 10 BECDRO COCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000697492144 964106808 /nfs/dbraw/zinc/10/68/08/964106808.db2.gz HBSWCYXTSQELQR-UHFFFAOYSA-N 1 0 235.327 2.272 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC001231847394 965287887 /nfs/dbraw/zinc/28/78/87/965287887.db2.gz YGXRUGXLAOWHMM-OAHLLOKOSA-N 1 0 249.354 2.356 20 10 BECDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000699753272 966068670 /nfs/dbraw/zinc/06/86/70/966068670.db2.gz FPVIOOZGVRCVKY-KWQFWETISA-N 1 0 241.718 2.170 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCNC(C)(C)C2)c1O ZINC001235834077 966117755 /nfs/dbraw/zinc/11/77/55/966117755.db2.gz JAVXNUCPSYTMMW-UHFFFAOYSA-N 1 0 248.370 2.193 20 10 BECDRO CCc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(O)c1 ZINC001236783716 966533235 /nfs/dbraw/zinc/53/32/35/966533235.db2.gz OKYANYSYBJLLPM-CQSZACIVSA-N 1 0 249.354 2.301 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CC[C@@]1(C)O ZINC001203550363 966677713 /nfs/dbraw/zinc/67/77/13/966677713.db2.gz TWQILBFSKIMRGC-IUODEOHRSA-N 1 0 249.354 2.375 20 10 BECDRO COc1ccc(C[NH+]2CC(C(F)F)C2)c(O)c1 ZINC001203634986 966714366 /nfs/dbraw/zinc/71/43/66/966714366.db2.gz FHSQVOQZFRIGDP-UHFFFAOYSA-N 1 0 243.253 2.098 20 10 BECDRO Oc1ccccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000691301114 966788745 /nfs/dbraw/zinc/78/87/45/966788745.db2.gz CQGGGMKLBNCMJU-OCCSQVGLSA-N 1 0 233.311 2.049 20 10 BECDRO CC[C@@H](C)[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203878977 966805688 /nfs/dbraw/zinc/80/56/88/966805688.db2.gz YWHKSRDWIKIADC-SECBINFHSA-N 1 0 209.289 2.328 20 10 BECDRO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1O ZINC001203879399 966805782 /nfs/dbraw/zinc/80/57/82/966805782.db2.gz PJESWLKCHLIBMD-GARJFASQSA-N 1 0 237.274 2.030 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC3(CC3)C2)cc1O ZINC001203875796 966807077 /nfs/dbraw/zinc/80/70/77/966807077.db2.gz VKRCBQHKYSGBNG-UHFFFAOYSA-N 1 0 219.284 2.084 20 10 BECDRO CC[C@@H](C)[N@H+](C)Cc1ccc(O)cc1O ZINC001204273549 966950022 /nfs/dbraw/zinc/95/00/22/966950022.db2.gz REKDJVLHSPGNGN-SECBINFHSA-N 1 0 209.289 2.328 20 10 BECDRO CC(C)C[N@H+](C)Cc1ccc(O)cc1O ZINC001204272459 966952261 /nfs/dbraw/zinc/95/22/61/966952261.db2.gz OGQAJLVNPKTDIU-UHFFFAOYSA-N 1 0 209.289 2.186 20 10 BECDRO CC1CC([N@H+](C)Cc2ccc(O)cc2O)C1 ZINC001204276248 966952601 /nfs/dbraw/zinc/95/26/01/966952601.db2.gz IFHBSIUQYCTIPE-UHFFFAOYSA-N 1 0 221.300 2.328 20 10 BECDRO COCC[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204319989 966971604 /nfs/dbraw/zinc/97/16/04/966971604.db2.gz KSTXAGXDODAKCZ-UHFFFAOYSA-N 1 0 248.370 2.365 20 10 BECDRO CCC[N@H+](CC)Cc1cc(O)c(O)c(OC)c1 ZINC001204340103 966973064 /nfs/dbraw/zinc/97/30/64/966973064.db2.gz CGBSBBFTWYTIMX-UHFFFAOYSA-N 1 0 239.315 2.338 20 10 BECDRO CC[N@H+](Cc1cc(O)c(O)c(OC)c1)C1CC1 ZINC001204341742 966977627 /nfs/dbraw/zinc/97/76/27/966977627.db2.gz FVXNOPPJYSLVHS-UHFFFAOYSA-N 1 0 237.299 2.091 20 10 BECDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccccc1O)C2 ZINC001203558737 967024919 /nfs/dbraw/zinc/02/49/19/967024919.db2.gz ZGESHSLXJCJUSH-JSGCOSHPSA-N 1 0 233.311 2.146 20 10 BECDRO COCC1([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921854707 967365828 /nfs/dbraw/zinc/36/58/28/967365828.db2.gz CGGFBIGGGUVLIK-UHFFFAOYSA-N 1 0 247.338 2.280 20 10 BECDRO CC(C)c1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205197386 967422725 /nfs/dbraw/zinc/42/27/25/967422725.db2.gz MYNYHZLGGJNFID-BXUZGUMPSA-N 1 0 248.370 2.437 20 10 BECDRO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCCOC1 ZINC001206098965 968063853 /nfs/dbraw/zinc/06/38/53/968063853.db2.gz KDOGHCATNFVTDW-NSHDSACASA-N 1 0 241.718 2.314 20 10 BECDRO CC[N@H+](Cc1ccnn1C)Cc1ccccc1O ZINC001206355689 968253032 /nfs/dbraw/zinc/25/30/32/968253032.db2.gz WWXFYLUTXQWNMK-UHFFFAOYSA-N 1 0 245.326 2.148 20 10 BECDRO CCC[C@@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252805034 968992221 /nfs/dbraw/zinc/99/22/21/968992221.db2.gz DECGZTZLVRMLHA-GFCCVEGCSA-N 1 0 237.343 2.260 20 10 BECDRO Cc1cc(C)c(C[NH2+]C2CCOCC2)c(O)c1 ZINC001255036102 969858058 /nfs/dbraw/zinc/85/80/58/969858058.db2.gz TVTZKVGTNCDMDX-UHFFFAOYSA-N 1 0 235.327 2.278 20 10 BECDRO COc1c[nH+]ccc1Nc1cc(F)cc(C)c1O ZINC001211263150 970207915 /nfs/dbraw/zinc/20/79/15/970207915.db2.gz HZJUVNUGTFRPKH-UHFFFAOYSA-N 1 0 248.257 2.409 20 10 BECDRO COc1c[nH+]ccc1Nc1c(C)cccc1O ZINC001211263584 970207965 /nfs/dbraw/zinc/20/79/65/970207965.db2.gz WGFWTDGTIYCGAW-UHFFFAOYSA-N 1 0 230.267 2.270 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CC[NH2+]C1 ZINC001327719694 972713594 /nfs/dbraw/zinc/71/35/94/972713594.db2.gz KZXXPTOYQPHQEP-WOPDTQHZSA-N 1 0 246.354 2.200 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@H]1CC[NH2+]C1 ZINC001327719692 972715506 /nfs/dbraw/zinc/71/55/06/972715506.db2.gz KZXXPTOYQPHQEP-SDDRHHMPSA-N 1 0 246.354 2.200 20 10 BECDRO Oc1cc(O)c(C[N@@H+]2CC3CCC2CC3)c(O)c1 ZINC001144514967 972856431 /nfs/dbraw/zinc/85/64/31/972856431.db2.gz ZLBPBDYHXMWYRF-UHFFFAOYSA-N 1 0 249.310 2.178 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[NH2+]C1 ZINC001329596211 973846611 /nfs/dbraw/zinc/84/66/11/973846611.db2.gz KZXXPTOYQPHQEP-UTUOFQBUSA-N 1 0 246.354 2.200 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCSC1)CC2 ZINC000390801477 973942560 /nfs/dbraw/zinc/94/25/60/973942560.db2.gz ZLEGRYXTWQJXRW-MNOVXSKESA-N 1 0 235.352 2.475 20 10 BECDRO COc1ccc(N2CC[C@H]3C[N@H+](C)C[C@H]32)c(C)c1 ZINC001277019215 974187174 /nfs/dbraw/zinc/18/71/74/974187174.db2.gz WWMMFGHYOVHPPI-SWLSCSKDSA-N 1 0 246.354 2.144 20 10 BECDRO COc1cccc(O)c1C[NH2+]C/C=C\C1CC1 ZINC001330432245 974262795 /nfs/dbraw/zinc/26/27/95/974262795.db2.gz ONCXOWBUEYKGGH-ARJAWSKDSA-N 1 0 233.311 2.457 20 10 BECDRO CC1(C)C[C@H]([N@@H+]2CCc3cccc(O)c3C2)CO1 ZINC001172294128 974558963 /nfs/dbraw/zinc/55/89/63/974558963.db2.gz VGAGBKKOCLTVRT-LBPRGKRZSA-N 1 0 247.338 2.318 20 10 BECDRO CCN1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001173354300 975309615 /nfs/dbraw/zinc/30/96/15/975309615.db2.gz ZDJISHXNVYMGLY-CYBMUJFWSA-N 1 0 248.370 2.193 20 10 BECDRO Oc1c(F)cccc1Nc1cc[nH+]cc1 ZINC001173883262 975949489 /nfs/dbraw/zinc/94/94/89/975949489.db2.gz DNDBBGABDIUVGD-UHFFFAOYSA-N 1 0 204.204 2.092 20 10 BECDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N)cc1 ZINC001334754840 976623529 /nfs/dbraw/zinc/62/35/29/976623529.db2.gz SRVQOPLODCNCRZ-GFCCVEGCSA-N 1 0 241.338 2.385 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC001334775441 976640460 /nfs/dbraw/zinc/64/04/60/976640460.db2.gz XYRQEMRXKKCFTQ-ZFWWWQNUSA-N 1 0 246.354 2.270 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC001335289564 976932521 /nfs/dbraw/zinc/93/25/21/976932521.db2.gz OVKSKTLMWWLUAQ-OLZOCXBDSA-N 1 0 248.395 2.454 20 10 BECDRO COc1ccc(Nc2cc[nH+]c(C)c2)c(O)c1 ZINC001174657149 976954093 /nfs/dbraw/zinc/95/40/93/976954093.db2.gz PKNFMTPDUYRJEG-UHFFFAOYSA-N 1 0 230.267 2.270 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC001336117412 977515784 /nfs/dbraw/zinc/51/57/84/977515784.db2.gz MJCWMBFUHQSCLX-UONOGXRCSA-N 1 0 246.354 2.127 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c1O ZINC001231591006 977641197 /nfs/dbraw/zinc/64/11/97/977641197.db2.gz ONACXNSLNWLFOY-RISCZKNCSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1O ZINC001231590991 977642026 /nfs/dbraw/zinc/64/20/26/977642026.db2.gz NEXPDPAAWZSLII-NSHDSACASA-N 1 0 233.311 2.112 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1O ZINC001231593630 977642166 /nfs/dbraw/zinc/64/21/66/977642166.db2.gz KOPHRRCYKANMQE-BETUJISGSA-N 1 0 245.322 2.112 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c1O ZINC001231591004 977643381 /nfs/dbraw/zinc/64/33/81/977643381.db2.gz ONACXNSLNWLFOY-BXUZGUMPSA-N 1 0 249.354 2.293 20 10 BECDRO COc1cc(C[N@@H+]2CCC3(CC3)C2)c(O)cc1O ZINC001231633622 977652810 /nfs/dbraw/zinc/65/28/10/977652810.db2.gz RBCSRNGCFWUVIJ-UHFFFAOYSA-N 1 0 249.310 2.092 20 10 BECDRO Cc1cc(C)c(C[NH+]2CC3(C2)CCCO3)c(O)c1 ZINC001231841944 977760282 /nfs/dbraw/zinc/76/02/82/977760282.db2.gz HUERFUCWSFYJEO-UHFFFAOYSA-N 1 0 247.338 2.374 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(O)c1 ZINC001231842458 977762383 /nfs/dbraw/zinc/76/23/83/977762383.db2.gz MMVHGJLIJUBYRC-AAEUAGOBSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c(O)c1 ZINC001231844554 977762880 /nfs/dbraw/zinc/76/28/80/977762880.db2.gz MHWDZHRVNVRDNP-UKRRQHHQSA-N 1 0 247.338 2.372 20 10 BECDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC001231841856 977763870 /nfs/dbraw/zinc/76/38/70/977763870.db2.gz DWDMPRJSKMOBGH-BETUJISGSA-N 1 0 247.338 2.372 20 10 BECDRO COc1cc(N(C)C)ccc1C[NH+]1CCCC1 ZINC001231849739 977766582 /nfs/dbraw/zinc/76/65/82/977766582.db2.gz XYBFGZRBVXVGNA-UHFFFAOYSA-N 1 0 234.343 2.357 20 10 BECDRO Cc1cc(Nc2cccc(N)c2O)cc(C)[nH+]1 ZINC001176059126 977907985 /nfs/dbraw/zinc/90/79/85/977907985.db2.gz AQXFAIPSFIYLHE-UHFFFAOYSA-N 1 0 229.283 2.152 20 10 BECDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)C2(CC2)C1 ZINC001233015307 978411015 /nfs/dbraw/zinc/41/10/15/978411015.db2.gz JWAPKCBTWJSPQG-SECBINFHSA-N 1 0 249.310 2.178 20 10 BECDRO Oc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc(O)c1O ZINC001233011083 978412833 /nfs/dbraw/zinc/41/28/33/978412833.db2.gz YSAYDBZSKOFYPP-GHMZBOCLSA-N 1 0 249.310 2.035 20 10 BECDRO Oc1cc(C[N@@H+]2CC3CCC2CC3)cc(O)c1O ZINC001233017566 978412849 /nfs/dbraw/zinc/41/28/49/978412849.db2.gz XJKROBNLWGWUQS-UHFFFAOYSA-N 1 0 249.310 2.178 20 10 BECDRO Oc1cc(C[NH+]2CCCCCC2)cc(O)c1O ZINC001233011112 978414045 /nfs/dbraw/zinc/41/40/45/978414045.db2.gz ZEAPNMGFNMJKIK-UHFFFAOYSA-N 1 0 237.299 2.179 20 10 BECDRO C[N@@H+](Cc1cc(O)c(O)c(O)c1)CC1CCC1 ZINC001233011542 978416233 /nfs/dbraw/zinc/41/62/33/978416233.db2.gz DDEVFZCOKQJLIP-UHFFFAOYSA-N 1 0 237.299 2.035 20 10 BECDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(N)cc1 ZINC001337838161 978519298 /nfs/dbraw/zinc/51/92/98/978519298.db2.gz JAPLZRBBECWMEZ-AWEZNQCLSA-N 1 0 236.359 2.156 20 10 BECDRO CCCC[N@H+](CC)Cc1cc(O)c(O)cc1O ZINC001233482236 978610549 /nfs/dbraw/zinc/61/05/49/978610549.db2.gz GFHSHHAIGNHTEV-UHFFFAOYSA-N 1 0 239.315 2.425 20 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C[C@@H](CF)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001182089077 979451454 /nfs/dbraw/zinc/45/14/54/979451454.db2.gz YXHVYBQOBIPRQE-LURJTMIESA-N 1 0 219.206 2.118 20 10 BECDRO CC[N@H+](Cc1cc(O)c(O)c(OC)c1)C(C)C ZINC001204340355 979529451 /nfs/dbraw/zinc/52/94/51/979529451.db2.gz NNDKPBCCIWDDSZ-UHFFFAOYSA-N 1 0 239.315 2.337 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@H](COC)C2)c(O)c1 ZINC001236783256 979727733 /nfs/dbraw/zinc/72/77/33/979727733.db2.gz IWMFTKFWGARNFM-ZDUSSCGKSA-N 1 0 249.354 2.423 20 10 BECDRO CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001236787745 979733095 /nfs/dbraw/zinc/73/30/95/979733095.db2.gz KRCNSXFPZGWGEY-ZIAGYGMSSA-N 1 0 247.338 2.318 20 10 BECDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]12 ZINC001203561981 979792364 /nfs/dbraw/zinc/79/23/64/979792364.db2.gz AIXHIHUOTBTOQK-AAEUAGOBSA-N 1 0 245.322 2.193 20 10 BECDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC001237046136 979807712 /nfs/dbraw/zinc/80/77/12/979807712.db2.gz QIZRXLAGOGYXCX-AWEZNQCLSA-N 1 0 249.354 2.472 20 10 BECDRO CCN1CCC[N@H+](Cc2c(C)cccc2O)CC1 ZINC001237484004 979909925 /nfs/dbraw/zinc/90/99/25/979909925.db2.gz YASFWJLAPZPLQF-UHFFFAOYSA-N 1 0 248.370 2.228 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001237484543 979910459 /nfs/dbraw/zinc/91/04/59/979910459.db2.gz DWDDHIALSAGLFI-TZMCWYRMSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC001237486208 979911524 /nfs/dbraw/zinc/91/15/24/979911524.db2.gz XYZCKJQSGISREA-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CCC2(COC2)CC1 ZINC001237481229 979912791 /nfs/dbraw/zinc/91/27/91/979912791.db2.gz DVKQIWPJKVEDCQ-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001237493048 979914647 /nfs/dbraw/zinc/91/46/47/979914647.db2.gz VCWXTWUEKHDNSZ-UXIGCNINSA-N 1 0 247.338 2.167 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](O)C[C@H]1C ZINC001237487121 979914813 /nfs/dbraw/zinc/91/48/13/979914813.db2.gz GSCRVIPWGAUKRD-NEPJUHHUSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC001237493302 979917708 /nfs/dbraw/zinc/91/77/08/979917708.db2.gz XHLYMDVQKKIJHK-AWEZNQCLSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237493417 979918248 /nfs/dbraw/zinc/91/82/48/979918248.db2.gz YFPFYLWUZJWOLQ-WFASDCNBSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](CCCO)C(C)C ZINC001237489987 979919239 /nfs/dbraw/zinc/91/92/39/979919239.db2.gz OMJILMOCYQVDSL-UHFFFAOYSA-N 1 0 237.343 2.293 20 10 BECDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC001238065352 980132487 /nfs/dbraw/zinc/13/24/87/980132487.db2.gz TXIGLUKUOMVAIF-AOOOYVTPSA-N 1 0 221.275 2.291 20 10 BECDRO Cc1cc(F)cc(C[NH+]2CCCC2)c1O ZINC001238057716 980134524 /nfs/dbraw/zinc/13/45/24/980134524.db2.gz LMNQNPNLBGIGOS-UHFFFAOYSA-N 1 0 209.264 2.436 20 10 BECDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001345159925 980570560 /nfs/dbraw/zinc/57/05/60/980570560.db2.gz PBPDQBCYAPCROI-OAHLLOKOSA-N 1 0 248.370 2.396 20 10 BECDRO CSCC(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC001352790281 982580384 /nfs/dbraw/zinc/58/03/84/982580384.db2.gz QBHSYJJNSLOOJR-UHFFFAOYSA-N 1 0 224.373 2.500 20 10 BECDRO CCC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201647665 983401564 /nfs/dbraw/zinc/40/15/64/983401564.db2.gz KSWYZEFZLUTTMT-UHFFFAOYSA-N 1 0 221.300 2.256 20 10 BECDRO Cc1cc(N(C)C)ccc1C1=CC[NH2+]C1 ZINC001243110354 984564001 /nfs/dbraw/zinc/56/40/01/984564001.db2.gz FLKNCYLZBQIELL-UHFFFAOYSA-N 1 0 202.301 2.048 20 10 BECDRO CCOCC(C)(C)C[NH2+]Cc1ccc(N)cc1 ZINC001578099906 984850749 /nfs/dbraw/zinc/85/07/49/984850749.db2.gz LGSPWZMTRMBFLL-UHFFFAOYSA-N 1 0 236.359 2.421 20 10 BECDRO COC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1O ZINC001255564362 987016219 /nfs/dbraw/zinc/01/62/19/987016219.db2.gz XKCSMSNDSHBSGQ-NSHDSACASA-N 1 0 223.316 2.134 20 10 BECDRO Cn1ccc2c1ncnc2-c1ccc2c[nH+]cn2c1 ZINC001245895217 987107566 /nfs/dbraw/zinc/10/75/66/987107566.db2.gz SABZWSNVORNPIU-UHFFFAOYSA-N 1 0 249.277 2.283 20 10 BECDRO CCc1cccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1O ZINC000691458387 987285289 /nfs/dbraw/zinc/28/52/89/987285289.db2.gz CBOFJWWEXCXQGZ-BXUZGUMPSA-N 1 0 249.354 2.205 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000696126034 987341358 /nfs/dbraw/zinc/34/13/58/987341358.db2.gz JARBPDJWMLZVRL-NSHDSACASA-N 1 0 249.354 2.205 20 10 BECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1C[C@H](O)C1 ZINC001474221298 987663211 /nfs/dbraw/zinc/66/32/11/987663211.db2.gz GPWZOKHHUYAVJM-HAQNSBGRSA-N 1 0 244.338 2.100 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC001474734474 987813147 /nfs/dbraw/zinc/81/31/47/987813147.db2.gz XQHJCNYPDYWNDI-TZMCWYRMSA-N 1 0 235.327 2.129 20 10 BECDRO C[C@@H](C[NH3+])N(C)Cc1ccc(N2CCCC2)cc1 ZINC001118178998 988074344 /nfs/dbraw/zinc/07/43/44/988074344.db2.gz IPWSYHUADFUTNC-ZDUSSCGKSA-N 1 0 247.386 2.066 20 10 BECDRO CCN(Cc1ccccc1O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246858067 988590438 /nfs/dbraw/zinc/59/04/38/988590438.db2.gz AOSLJIYKZOJPMS-JSGCOSHPSA-N 1 0 248.370 2.355 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)CN ZINC001325756129 989253041 /nfs/dbraw/zinc/25/30/41/989253041.db2.gz QCAPTHDKOBVPQG-GMTAPVOTSA-N 1 0 234.343 2.186 20 10 BECDRO C[C@@H]1CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138496585 990967086 /nfs/dbraw/zinc/96/70/86/990967086.db2.gz UPWGMHQWIRKYBE-CYBMUJFWSA-N 1 0 246.354 2.117 20 10 BECDRO C[N@H+](Cc1ccc(=O)[nH]c1)Cc1ccccc1O ZINC001139467807 991250529 /nfs/dbraw/zinc/25/05/29/991250529.db2.gz HJZWASCQAZPGEB-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO CC[N@H+](Cc1ccnnc1)Cc1ccccc1O ZINC001139985024 991461215 /nfs/dbraw/zinc/46/12/15/991461215.db2.gz HUTCGAUECSXLPZ-UHFFFAOYSA-N 1 0 243.310 2.204 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c1O ZINC001140178256 991551148 /nfs/dbraw/zinc/55/11/48/991551148.db2.gz FVNZOHMXOMTNEE-STQMWFEESA-N 1 0 249.354 2.354 20 10 BECDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001560858015 991628440 /nfs/dbraw/zinc/62/84/40/991628440.db2.gz MEAZFQCHJGPWQO-NSHDSACASA-N 1 0 243.734 2.248 20 10 BECDRO CC[C@H](CO)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001560858014 991629145 /nfs/dbraw/zinc/62/91/45/991629145.db2.gz MEAZFQCHJGPWQO-LLVKDONJSA-N 1 0 243.734 2.248 20 10 BECDRO Oc1cc(Cl)ccc1C[NH+]1CCC(O)CC1 ZINC001140461335 991644162 /nfs/dbraw/zinc/64/41/62/991644162.db2.gz IFDCBFAVTUYBEK-UHFFFAOYSA-N 1 0 241.718 2.002 20 10 BECDRO Oc1cc(Cl)ccc1C[N@@H+]1CCCOCC1 ZINC001140461151 991644635 /nfs/dbraw/zinc/64/46/35/991644635.db2.gz FLWVBUGFSSTURD-UHFFFAOYSA-N 1 0 241.718 2.268 20 10 BECDRO CC1CCC(O)(C[NH2+]Cc2ccc(N)cc2)CC1 ZINC001576670197 993388902 /nfs/dbraw/zinc/38/89/02/993388902.db2.gz FPAGYEWDKKHFFT-UHFFFAOYSA-N 1 0 248.370 2.300 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1O ZINC000392625698 993875133 /nfs/dbraw/zinc/87/51/33/993875133.db2.gz GEHPNTAIJZMJMX-SNVBAGLBSA-N 1 0 244.294 2.344 20 10 BECDRO Oc1cc2ccccc2cc1C[NH+]1CCOCC1 ZINC000020806876 1170154459 /nfs/dbraw/zinc/15/44/59/1170154459.db2.gz JFJXHOPSPGOLNE-UHFFFAOYSA-N 1 0 243.306 2.378 20 10 BECDRO COC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037196174 1170935018 /nfs/dbraw/zinc/93/50/18/1170935018.db2.gz RWBOMLFJUBZZHK-CYBMUJFWSA-N 1 0 248.370 2.411 20 10 BECDRO CCC(CC)(CO)[NH2+]Cc1cc(F)ccc1O ZINC000180727557 168330264 /nfs/dbraw/zinc/33/02/64/168330264.db2.gz FEGYHBSCLNFNPS-UHFFFAOYSA-N 1 0 241.306 2.172 20 10 BECDRO Cc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)on1 ZINC000297608261 178041390 /nfs/dbraw/zinc/04/13/90/178041390.db2.gz IIQVPRIBMVVFES-LBPRGKRZSA-N 1 0 244.294 2.466 20 10 BECDRO COC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000296245945 398209570 /nfs/dbraw/zinc/20/95/70/398209570.db2.gz AZNYJGBNBHEANQ-QWHCGFSZSA-N 1 0 247.338 2.394 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCOC2)cc1C ZINC000237762219 178197212 /nfs/dbraw/zinc/19/72/12/178197212.db2.gz JORUDLVLSGDTHZ-ZDUSSCGKSA-N 1 0 235.327 2.278 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCO2)cc1C ZINC000294931708 178197865 /nfs/dbraw/zinc/19/78/65/178197865.db2.gz BPJFLQGJEVATGV-CYBMUJFWSA-N 1 0 235.327 2.278 20 10 BECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CC ZINC000076074057 344021397 /nfs/dbraw/zinc/02/13/97/344021397.db2.gz ZDGHRZKKYYOKKC-ZDUSSCGKSA-N 1 0 237.343 2.375 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccccc1O ZINC000037158181 343337457 /nfs/dbraw/zinc/33/74/57/343337457.db2.gz UHBGXNDXCCHFET-NWDGAFQWSA-N 1 0 245.326 2.328 20 10 BECDRO COC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000044478090 343502239 /nfs/dbraw/zinc/50/22/39/343502239.db2.gz ZGHLYDCCKSGJJX-LLVKDONJSA-N 1 0 237.343 2.376 20 10 BECDRO CC[N@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000180102396 347013525 /nfs/dbraw/zinc/01/35/25/347013525.db2.gz XGWNMTRAFTXSGC-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CCO)c1 ZINC000097436271 178804203 /nfs/dbraw/zinc/80/42/03/178804203.db2.gz LLYJCXDCVARJDR-NEPJUHHUSA-N 1 0 237.343 2.370 20 10 BECDRO Cc1cccc(C[NH+]2CCC([C@@H](C)O)CC2)c1O ZINC000271736288 179073642 /nfs/dbraw/zinc/07/36/42/179073642.db2.gz OPBXXTFSYDBKTD-GFCCVEGCSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000124587976 179074285 /nfs/dbraw/zinc/07/42/85/179074285.db2.gz FNXNDUXGZPQTQR-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1O ZINC000271870942 179067025 /nfs/dbraw/zinc/06/70/25/179067025.db2.gz SDKMYWDNMIWTEE-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC000293824517 179076250 /nfs/dbraw/zinc/07/62/50/179076250.db2.gz AHASFLSNLFZREG-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1O ZINC000141903394 179084618 /nfs/dbraw/zinc/08/46/18/179084618.db2.gz ZPLSPIWCFQALDD-BETUJISGSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1cccc(C[NH2+]CC2(O)CCCC2)c1O ZINC000124819324 179089605 /nfs/dbraw/zinc/08/96/05/179089605.db2.gz UCAQHYXADUOTJP-UHFFFAOYSA-N 1 0 235.327 2.095 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1O ZINC000124833178 179092010 /nfs/dbraw/zinc/09/20/10/179092010.db2.gz AMUUFIXWXAMKMO-GXTWGEPZSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2C[C@H]2C)c1O ZINC000162517839 179093645 /nfs/dbraw/zinc/09/36/45/179093645.db2.gz KPGSEGBANNYWPN-PWSUYJOCSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1cccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1O ZINC000294026752 179094038 /nfs/dbraw/zinc/09/40/38/179094038.db2.gz NWMQCKDFPXLBOM-IUODEOHRSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CCCCO2)c1O ZINC000124739289 179094253 /nfs/dbraw/zinc/09/42/53/179094253.db2.gz HUDAYLQNCHGOBB-CYBMUJFWSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](C)CCCCO)c1O ZINC000294929308 179095269 /nfs/dbraw/zinc/09/52/69/179095269.db2.gz BKTWUNNAEAIKDP-LBPRGKRZSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000124699360 179095433 /nfs/dbraw/zinc/09/54/33/179095433.db2.gz QNRHYCSKHREYFD-LBPRGKRZSA-N 1 0 245.326 2.075 20 10 BECDRO Cc1cccc(C[NH2+]Cc2ccn(C)c2)c1O ZINC000271867151 179096137 /nfs/dbraw/zinc/09/61/37/179096137.db2.gz WMXVWCDPPNXEEX-UHFFFAOYSA-N 1 0 230.311 2.329 20 10 BECDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000637869349 351729584 /nfs/dbraw/zinc/72/95/84/351729584.db2.gz OSFGXMUNWFZEOU-LBPRGKRZSA-N 1 0 230.311 2.087 20 10 BECDRO Cc1cccc(N(C)C(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000637907112 351777078 /nfs/dbraw/zinc/77/70/78/351777078.db2.gz JFNDWBPIIRDXMZ-LBPRGKRZSA-N 1 0 230.311 2.005 20 10 BECDRO CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1cccc(C)c1 ZINC000637906098 351779446 /nfs/dbraw/zinc/77/94/46/351779446.db2.gz XNJGXGHDEDEOMD-CYBMUJFWSA-N 1 0 244.338 2.395 20 10 BECDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000637889488 351758863 /nfs/dbraw/zinc/75/88/63/351758863.db2.gz HXWXABILIZHQAC-LBPRGKRZSA-N 1 0 248.301 2.226 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CCCCO)c(O)c1 ZINC000193279808 187827039 /nfs/dbraw/zinc/82/70/39/187827039.db2.gz YHIBBEQLFIYDQN-NSHDSACASA-N 1 0 223.316 2.124 20 10 BECDRO CCN1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC000124656472 353169657 /nfs/dbraw/zinc/16/96/57/353169657.db2.gz BSJIEVRYAOUOER-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000293706731 188096403 /nfs/dbraw/zinc/09/64/03/188096403.db2.gz LQCGIVPLHUWCIM-CQSZACIVSA-N 1 0 247.338 2.279 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CO)c(O)c1C ZINC000134926130 538109462 /nfs/dbraw/zinc/10/94/62/538109462.db2.gz JTHYPPRAYPZDCP-GXSJLCMTSA-N 1 0 223.316 2.040 20 10 BECDRO CC(C)[C@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162629892 188160458 /nfs/dbraw/zinc/16/04/58/188160458.db2.gz SZZMPOJUEDYUOA-LLVKDONJSA-N 1 0 243.734 2.152 20 10 BECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000294886211 353792798 /nfs/dbraw/zinc/79/27/98/353792798.db2.gz QMQQQUOQGPLKPW-OTVXOJSOSA-N 1 0 248.370 2.146 20 10 BECDRO C[C@H]1C[C@@H]1C[NH2+]CCc1ccc(N)cc1 ZINC000167543427 134004669 /nfs/dbraw/zinc/00/46/69/134004669.db2.gz TWIBCSBZQSBIMH-CMPLNLGQSA-N 1 0 204.317 2.057 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000133945208 358773102 /nfs/dbraw/zinc/77/31/02/358773102.db2.gz PKSWHBPJLFGILT-AWEZNQCLSA-N 1 0 246.354 2.062 20 10 BECDRO COc1ccc(C[NH2+]C[C@H](O)C(C)C)cc1C ZINC000134696717 200809908 /nfs/dbraw/zinc/80/99/08/200809908.db2.gz QDDLKRQSVKEHRQ-ZDUSSCGKSA-N 1 0 237.343 2.110 20 10 BECDRO OCCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296322985 183047232 /nfs/dbraw/zinc/04/72/32/183047232.db2.gz FWBPZRDUULDYMY-GFCCVEGCSA-N 1 0 235.327 2.132 20 10 BECDRO OC[C@@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000289441818 183109333 /nfs/dbraw/zinc/10/93/33/183109333.db2.gz AWQQEQUVIMQKGI-CYBMUJFWSA-N 1 0 235.327 2.033 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCOC1)CC2 ZINC000296022343 183296644 /nfs/dbraw/zinc/29/66/44/183296644.db2.gz PPXMBBRLEIMERI-AAEUAGOBSA-N 1 0 247.338 2.396 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CCOCC1CC1)CC2 ZINC000297605997 183297375 /nfs/dbraw/zinc/29/73/75/183297375.db2.gz IFCXTYZYNWFWBV-ZDUSSCGKSA-N 1 0 247.338 2.396 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291209623 183301341 /nfs/dbraw/zinc/30/13/41/183301341.db2.gz IIZAVNDUCMQKID-CYBMUJFWSA-N 1 0 243.310 2.036 20 10 BECDRO Oc1ccccc1C[NH2+]CC1(O)CCCCC1 ZINC000060366861 183302510 /nfs/dbraw/zinc/30/25/10/183302510.db2.gz LNAAOMUOIWRKTR-UHFFFAOYSA-N 1 0 235.327 2.177 20 10 BECDRO Oc1ccccc1C[NH2+][C@H]1CCCOCC1 ZINC000161435375 183303232 /nfs/dbraw/zinc/30/32/32/183303232.db2.gz NJGSBNQEXIQMNP-LBPRGKRZSA-N 1 0 221.300 2.051 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H]1CCCCO1 ZINC000042811953 183303629 /nfs/dbraw/zinc/30/36/29/183303629.db2.gz JVWNKFFFGMJOCU-GFCCVEGCSA-N 1 0 221.300 2.051 20 10 BECDRO c1cc(C[NH2+]C[C@@H]2CCSC2)cc2c1OCC2 ZINC000226377686 183368542 /nfs/dbraw/zinc/36/85/42/183368542.db2.gz SDBKOKZMLFCFKI-LBPRGKRZSA-N 1 0 249.379 2.464 20 10 BECDRO CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000034824257 169266528 /nfs/dbraw/zinc/26/65/28/169266528.db2.gz MVZUCVSQPZQUHK-UHFFFAOYSA-N 1 0 210.296 2.391 20 10 BECDRO CCC[C@@H](C[NH2+]Cc1cc(F)ccc1O)OC ZINC000293543847 169384506 /nfs/dbraw/zinc/38/45/06/169384506.db2.gz AXESODIXAUUOJK-LBPRGKRZSA-N 1 0 241.306 2.436 20 10 BECDRO CCC[C@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000285457729 169558919 /nfs/dbraw/zinc/55/89/19/169558919.db2.gz JOOXCJWDXDLBFA-AWEZNQCLSA-N 1 0 235.327 2.441 20 10 BECDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000278647191 384060093 /nfs/dbraw/zinc/06/00/93/384060093.db2.gz JKTAHWNNDTXRKF-LBPRGKRZSA-N 1 0 241.306 2.028 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c(O)c1 ZINC000038088167 384067933 /nfs/dbraw/zinc/06/79/33/384067933.db2.gz VGCJTBIUIDVLQF-VXGBXAGGSA-N 1 0 236.359 2.301 20 10 BECDRO C[C@H]([NH2+]CCCCCO)c1ccccc1O ZINC000038272164 384081665 /nfs/dbraw/zinc/08/16/65/384081665.db2.gz FTXVZLBMVKCLSW-NSHDSACASA-N 1 0 223.316 2.205 20 10 BECDRO Cc1ccc(O)c(C[NH2+]Cc2nccs2)c1 ZINC000070955288 384143580 /nfs/dbraw/zinc/14/35/80/384143580.db2.gz FALCUMNASNVTOW-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000040776435 384164302 /nfs/dbraw/zinc/16/43/02/384164302.db2.gz GINUAFQEIZSPLZ-AWEZNQCLSA-N 1 0 249.354 2.118 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000071408211 384164920 /nfs/dbraw/zinc/16/49/20/384164920.db2.gz YFUMCDOKHVIVRR-LBPRGKRZSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)c(O)c1 ZINC000041158925 384181306 /nfs/dbraw/zinc/18/13/06/384181306.db2.gz AFPMIFWZOIQGNQ-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CCO)c1 ZINC000132492367 384234560 /nfs/dbraw/zinc/23/45/60/384234560.db2.gz NJYIWONJCORPHW-MNOVXSKESA-N 1 0 223.316 2.122 20 10 BECDRO C[C@H]1OCC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000093417623 384234861 /nfs/dbraw/zinc/23/48/61/384234861.db2.gz ODIYBPQUZMKDTA-QWHCGFSZSA-N 1 0 248.370 2.362 20 10 BECDRO COC[C@H](C)[N@H+](C)Cc1cc(C)ccc1O ZINC000132677435 384244844 /nfs/dbraw/zinc/24/48/44/384244844.db2.gz WBBKCUTZQASWGM-NSHDSACASA-N 1 0 223.316 2.167 20 10 BECDRO CCC[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297649167 384310817 /nfs/dbraw/zinc/31/08/17/384310817.db2.gz KCKVAJMVFZEAIR-RYUDHWBXSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094942582 384319819 /nfs/dbraw/zinc/31/98/19/384319819.db2.gz XIPLNBHROPMHEP-UWVGGRQHSA-N 1 0 241.306 2.343 20 10 BECDRO CC[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000119586416 384287385 /nfs/dbraw/zinc/28/73/85/384287385.db2.gz FPMZWAKPYHWDDK-JTQLQIEISA-N 1 0 249.310 2.353 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CCCO)c(O)c1C ZINC000134904163 384398085 /nfs/dbraw/zinc/39/80/85/384398085.db2.gz PPGSVJPTRLINMD-LLVKDONJSA-N 1 0 223.316 2.042 20 10 BECDRO CC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134904672 384398250 /nfs/dbraw/zinc/39/82/50/384398250.db2.gz JREGTZXMLWDEAK-WCBMZHEXSA-N 1 0 243.734 2.467 20 10 BECDRO COc1ccc(C[NH2+]C[C@H](C)CCO)cc1C ZINC000097436023 384520574 /nfs/dbraw/zinc/52/05/74/384520574.db2.gz ATJSVDJDVWHICB-LLVKDONJSA-N 1 0 237.343 2.112 20 10 BECDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000123206716 384540790 /nfs/dbraw/zinc/54/07/90/384540790.db2.gz ZRPSFUUYQJYEQH-DTWKUNHWSA-N 1 0 243.734 2.152 20 10 BECDRO COC[C@H]([NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000183625859 384541622 /nfs/dbraw/zinc/54/16/22/384541622.db2.gz QJKRWFAAPAKNMT-MFKMUULPSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@@H](O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184829107 384653757 /nfs/dbraw/zinc/65/37/57/384653757.db2.gz QUPHYQLLQQYSOI-MNOVXSKESA-N 1 0 249.354 2.302 20 10 BECDRO CCOc1cccc(C[NH2+]C2CCC2)c1O ZINC000052207210 384724269 /nfs/dbraw/zinc/72/42/69/384724269.db2.gz NDYOYEMSLICIAD-UHFFFAOYSA-N 1 0 221.300 2.433 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2C)c(O)c1 ZINC000185142378 384685085 /nfs/dbraw/zinc/68/50/85/384685085.db2.gz FUUUGZLVNKOWJO-CHWSQXEVSA-N 1 0 248.370 2.445 20 10 BECDRO CC[N@H+](CCOC)Cc1cccc(C)c1O ZINC000162809837 384689375 /nfs/dbraw/zinc/68/93/75/384689375.db2.gz ZMSOBJXSUDTXLO-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO COC[C@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000294288996 384729689 /nfs/dbraw/zinc/72/96/89/384729689.db2.gz UCIYZUCQARQTTO-CQSZACIVSA-N 1 0 235.327 2.251 20 10 BECDRO CC[C@@H]([NH2+]CC[C@@H](C)O)c1ccccc1O ZINC000082993793 384734087 /nfs/dbraw/zinc/73/40/87/384734087.db2.gz UIRHOQXSLNICJG-ZYHUDNBSSA-N 1 0 223.316 2.204 20 10 BECDRO C[C@@H](CO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185579304 384741876 /nfs/dbraw/zinc/74/18/76/384741876.db2.gz TUFWWGHRZGAJFF-QWRGUYRKSA-N 1 0 249.354 2.302 20 10 BECDRO CC[C@H]([NH2+]C[C@H](C)CO)c1ccccc1O ZINC000083219984 384755352 /nfs/dbraw/zinc/75/53/52/384755352.db2.gz HXTIXRDDFWQZEC-JQWIXIFHSA-N 1 0 223.316 2.061 20 10 BECDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000163979645 384888027 /nfs/dbraw/zinc/88/80/27/384888027.db2.gz CJZMVVDCONGZIY-ZWNOBZJWSA-N 1 0 223.316 2.060 20 10 BECDRO CCC[C@@](C)(O)C[NH2+]Cc1ccccc1O ZINC000163995113 384895923 /nfs/dbraw/zinc/89/59/23/384895923.db2.gz IWGXXTQGVGOMGB-CYBMUJFWSA-N 1 0 223.316 2.033 20 10 BECDRO CS[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000128035312 384982105 /nfs/dbraw/zinc/98/21/05/384982105.db2.gz LLWQVCKNEQMKBZ-SNVBAGLBSA-N 1 0 237.368 2.463 20 10 BECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000128565208 385047603 /nfs/dbraw/zinc/04/76/03/385047603.db2.gz AJJSDMKNBJIRDT-RYUDHWBXSA-N 1 0 236.359 2.266 20 10 BECDRO CC[C@H](C[NH2+]Cc1cccc(C)c1O)OC ZINC000290947584 385060791 /nfs/dbraw/zinc/06/07/91/385060791.db2.gz QIYOZOXKWQOJKP-GFCCVEGCSA-N 1 0 223.316 2.215 20 10 BECDRO CC[C@@H](C[NH2+]Cc1cccc(C)c1O)OC ZINC000290947585 385062983 /nfs/dbraw/zinc/06/29/83/385062983.db2.gz QIYOZOXKWQOJKP-LBPRGKRZSA-N 1 0 223.316 2.215 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@H](C)O1 ZINC000294656539 385100339 /nfs/dbraw/zinc/10/03/39/385100339.db2.gz CJEZRRPASUBUGB-XUJVJEKNSA-N 1 0 248.370 2.408 20 10 BECDRO CO[C@@](C)(C[NH2+]Cc1ccccc1O)C1CC1 ZINC000291099355 385205347 /nfs/dbraw/zinc/20/53/47/385205347.db2.gz ZMKKSMHURDXWKP-AWEZNQCLSA-N 1 0 235.327 2.297 20 10 BECDRO CC(C)=CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000191625597 385311674 /nfs/dbraw/zinc/31/16/74/385311674.db2.gz XXXNJGQULQUKEB-UHFFFAOYSA-N 1 0 235.283 2.177 20 10 BECDRO CO[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000191206396 385292567 /nfs/dbraw/zinc/29/25/67/385292567.db2.gz HSHNDXZTHAETJO-WDEREUQCSA-N 1 0 223.316 2.386 20 10 BECDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000191958112 385337551 /nfs/dbraw/zinc/33/75/51/385337551.db2.gz XJFNUMNMVWSRDV-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(F)ccc1O ZINC000294972120 385342346 /nfs/dbraw/zinc/34/23/46/385342346.db2.gz FVJNGFNAJXVVFL-VIFPVBQESA-N 1 0 241.306 2.170 20 10 BECDRO CO[C@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000182426737 385444043 /nfs/dbraw/zinc/44/40/43/385444043.db2.gz HPMVCCNCJQWQST-NXEZZACHSA-N 1 0 209.289 2.078 20 10 BECDRO CCOC[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179583639 385476859 /nfs/dbraw/zinc/47/68/59/385476859.db2.gz YXWVSZRIZQRNFO-LBPRGKRZSA-N 1 0 235.327 2.251 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)O)cc1 ZINC000179581883 385476872 /nfs/dbraw/zinc/47/68/72/385476872.db2.gz ZOXXGUQFOHMLFX-NWDGAFQWSA-N 1 0 236.359 2.174 20 10 BECDRO CO[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179749523 385488605 /nfs/dbraw/zinc/48/86/05/385488605.db2.gz BJPHEPAASSHTQC-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCC[C@H]1O ZINC000270517047 385713907 /nfs/dbraw/zinc/71/39/07/385713907.db2.gz LCQSRMMAEFABKW-GXTWGEPZSA-N 1 0 235.327 2.128 20 10 BECDRO C[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000282088666 385732328 /nfs/dbraw/zinc/73/23/28/385732328.db2.gz VDBFJEYRSBHTEF-GFCCVEGCSA-N 1 0 248.370 2.098 20 10 BECDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccccc1O ZINC000183538592 385769902 /nfs/dbraw/zinc/76/99/02/385769902.db2.gz PPLJGQREBWKGTD-LLVKDONJSA-N 1 0 237.343 2.451 20 10 BECDRO COc1ccc(C[NH2+]CCC2(O)CCC2)cc1C ZINC000284000122 385849375 /nfs/dbraw/zinc/84/93/75/385849375.db2.gz MLYLZPZEQXAESB-UHFFFAOYSA-N 1 0 249.354 2.398 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCC[C@H]1O ZINC000272587405 385914976 /nfs/dbraw/zinc/91/49/76/385914976.db2.gz HIJKCXIFKZCQPB-DZGCQCFKSA-N 1 0 249.354 2.375 20 10 BECDRO CS[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000295026996 385948077 /nfs/dbraw/zinc/94/80/77/385948077.db2.gz LFFFRZZJXSUDKD-NSHDSACASA-N 1 0 223.341 2.330 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@H]1CC[C@H](O)CC1 ZINC000276001925 386260726 /nfs/dbraw/zinc/26/07/26/386260726.db2.gz NUUMIZDMFBEFGR-JOCQHMNTSA-N 1 0 235.327 2.128 20 10 BECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C1 ZINC000289563787 386329098 /nfs/dbraw/zinc/32/90/98/386329098.db2.gz RYDNLIYSCHFQCT-BETUJISGSA-N 1 0 235.327 2.310 20 10 BECDRO CO[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000226562462 386334419 /nfs/dbraw/zinc/33/44/19/386334419.db2.gz NXRVQKUWVAAYCG-NSHDSACASA-N 1 0 239.290 2.142 20 10 BECDRO C[C@@H](O)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000227954105 386524314 /nfs/dbraw/zinc/52/43/14/386524314.db2.gz GTPQLDGNSTYCOG-SECBINFHSA-N 1 0 243.734 2.296 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000277665330 386456139 /nfs/dbraw/zinc/45/61/39/386456139.db2.gz FURICZMGTMVKNF-WCQYABFASA-N 1 0 235.327 2.215 20 10 BECDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccccc1O ZINC000228794611 386618333 /nfs/dbraw/zinc/61/83/33/386618333.db2.gz CVDDRKODJYBLLS-AAEUAGOBSA-N 1 0 237.343 2.450 20 10 BECDRO Cc1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1N(C)C ZINC000293587917 386662731 /nfs/dbraw/zinc/66/27/31/386662731.db2.gz UFWXBDZJXANEAC-CQSZACIVSA-N 1 0 248.370 2.018 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H](C)O)c(O)c1 ZINC000293677469 386670801 /nfs/dbraw/zinc/67/08/01/386670801.db2.gz KCLJLYKIBCGRFD-RYUDHWBXSA-N 1 0 237.343 2.431 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1 ZINC000295106930 386692741 /nfs/dbraw/zinc/69/27/41/386692741.db2.gz UKLLMOOLPWQBKG-KGLIPLIRSA-N 1 0 248.370 2.003 20 10 BECDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccccc1O ZINC000296241755 386711931 /nfs/dbraw/zinc/71/19/31/386711931.db2.gz CNSXOXUNPBCVMU-TUAOUCFPSA-N 1 0 235.327 2.204 20 10 BECDRO CCC[C@@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000285457731 387267923 /nfs/dbraw/zinc/26/79/23/387267923.db2.gz JOOXCJWDXDLBFA-CQSZACIVSA-N 1 0 235.327 2.441 20 10 BECDRO CC[C@H]([NH2+]CC1COC1)c1ccc(C)cc1O ZINC000528025947 387830202 /nfs/dbraw/zinc/83/02/02/387830202.db2.gz HDZXJYYWFLSBKR-ZDUSSCGKSA-N 1 0 235.327 2.388 20 10 BECDRO C[C@@H]([NH2+]CC1COC1)c1cc(Cl)ccc1O ZINC000528026172 387830898 /nfs/dbraw/zinc/83/08/98/387830898.db2.gz PBMOWTGUOIFMTN-MRVPVSSYSA-N 1 0 241.718 2.343 20 10 BECDRO CCC[C@@](C)(O)C[NH2+]Cc1cccc(C)c1O ZINC000224809730 387939417 /nfs/dbraw/zinc/93/94/17/387939417.db2.gz YOPOFNCIENSKFZ-CQSZACIVSA-N 1 0 237.343 2.341 20 10 BECDRO C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134913680 388481734 /nfs/dbraw/zinc/48/17/34/388481734.db2.gz CASBAUFVGCNWLF-HTQZYQBOSA-N 1 0 229.707 2.077 20 10 BECDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cccc(F)c1[O-] ZINC000295023978 388407688 /nfs/dbraw/zinc/40/76/88/388407688.db2.gz KXGLAFKOKVNFQA-SECBINFHSA-N 1 0 241.306 2.170 20 10 BECDRO C[C@H](CCCCO)[NH2+]Cc1cc(F)ccc1O ZINC000295053473 388407951 /nfs/dbraw/zinc/40/79/51/388407951.db2.gz NPOALROWJIYDDK-SNVBAGLBSA-N 1 0 241.306 2.172 20 10 BECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H]1CCOC1 ZINC000297156511 388429027 /nfs/dbraw/zinc/42/90/27/388429027.db2.gz BDEICBLHTXNXHK-DRZSPHRISA-N 1 0 247.338 2.394 20 10 BECDRO C[C@@H](CCO)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297459620 388429824 /nfs/dbraw/zinc/42/98/24/388429824.db2.gz XREUHZHZKGXUHC-DGCLKSJQSA-N 1 0 249.354 2.378 20 10 BECDRO C[C@H](CCCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297616473 388430574 /nfs/dbraw/zinc/43/05/74/388430574.db2.gz ISPPEVPKKFRBNE-ZYHUDNBSSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccccc1O ZINC000271654867 389023686 /nfs/dbraw/zinc/02/36/86/389023686.db2.gz JTNBRKRILSXZLA-JTQLQIEISA-N 1 0 223.316 2.204 20 10 BECDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000272892456 389035243 /nfs/dbraw/zinc/03/52/43/389035243.db2.gz SXWDMUXXIPAGKP-QWRGUYRKSA-N 1 0 223.316 2.468 20 10 BECDRO CC(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020085826 132329803 /nfs/dbraw/zinc/32/98/03/132329803.db2.gz QRMNHQGNQVLAFM-UHFFFAOYSA-N 1 0 248.370 2.269 20 10 BECDRO Cc1cccc(C[N@@H+]2CCOCC23CCC3)c1O ZINC000180320787 134328930 /nfs/dbraw/zinc/32/89/30/134328930.db2.gz JYRUIAPMKHIIEA-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000180615639 134330627 /nfs/dbraw/zinc/33/06/27/134330627.db2.gz UUCWONHFJSUHQM-HNNXBMFYSA-N 1 0 247.338 2.313 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CC1=CCCOC1)CC2 ZINC000297260603 135380002 /nfs/dbraw/zinc/38/00/02/135380002.db2.gz JXWUCROKUDACEW-CYBMUJFWSA-N 1 0 245.322 2.316 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCSC2)c1 ZINC000230705287 135548033 /nfs/dbraw/zinc/54/80/33/135548033.db2.gz IFKVUDVQYYOQSZ-NSHDSACASA-N 1 0 223.341 2.296 20 10 BECDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1O ZINC000038044196 398024935 /nfs/dbraw/zinc/02/49/35/398024935.db2.gz QJMYCKFEFYEEFC-NWDGAFQWSA-N 1 0 235.327 2.469 20 10 BECDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCCO1 ZINC000179917890 398048949 /nfs/dbraw/zinc/04/89/49/398048949.db2.gz KLWZDGCTONPTSM-GFCCVEGCSA-N 1 0 239.290 2.142 20 10 BECDRO CO[C@H](C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000263831277 398125901 /nfs/dbraw/zinc/12/59/01/398125901.db2.gz VJKJKKABVZECRT-LLVKDONJSA-N 1 0 235.327 2.136 20 10 BECDRO CC(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000034824256 167119110 /nfs/dbraw/zinc/11/91/10/167119110.db2.gz IFYKSYNSDZBNGG-UHFFFAOYSA-N 1 0 210.296 2.390 20 10 BECDRO CC1(C[NH2+][C@H]2CCc3cccc(O)c32)COC1 ZINC000297970101 168046627 /nfs/dbraw/zinc/04/66/27/168046627.db2.gz ZSRIWPHYPXPALX-NSHDSACASA-N 1 0 233.311 2.006 20 10 BECDRO CC1([NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000131127016 168064714 /nfs/dbraw/zinc/06/47/14/168064714.db2.gz UMRFROSKBSQXPK-UHFFFAOYSA-N 1 0 247.338 2.280 20 10 BECDRO CC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)OC ZINC000289890398 170829547 /nfs/dbraw/zinc/82/95/47/170829547.db2.gz SQCXZYAIHGGTEB-ZDUSSCGKSA-N 1 0 235.327 2.136 20 10 BECDRO CC[C@@H](COC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000079707360 170847096 /nfs/dbraw/zinc/84/70/96/170847096.db2.gz IWQSHVTYEIOWML-ZDUSSCGKSA-N 1 0 236.359 2.267 20 10 BECDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N)cc1 ZINC000036797826 171114228 /nfs/dbraw/zinc/11/42/28/171114228.db2.gz PVIAWRHNSGFBCG-BXUZGUMPSA-N 1 0 234.343 2.268 20 10 BECDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000087011631 171186445 /nfs/dbraw/zinc/18/64/45/171186445.db2.gz AXTWEHYLPVKTKP-NOZJJQNGSA-N 1 0 241.306 2.343 20 10 BECDRO CN(C)C(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296111000 172398111 /nfs/dbraw/zinc/39/81/11/172398111.db2.gz UTNFZEYEKUCZOI-LBPRGKRZSA-N 1 0 248.370 2.309 20 10 BECDRO COC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000271039795 174030107 /nfs/dbraw/zinc/03/01/07/174030107.db2.gz LQUJZSDTKHMVRX-UHFFFAOYSA-N 1 0 248.370 2.363 20 10 BECDRO COCC(C)(C)C[NH2+]Cc1ccccc1O ZINC000276858108 174072656 /nfs/dbraw/zinc/07/26/56/174072656.db2.gz AVIVJXPRJJQRKF-UHFFFAOYSA-N 1 0 223.316 2.154 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)c1O ZINC001652321037 1173062869 /nfs/dbraw/zinc/06/28/69/1173062869.db2.gz HACBOJHHAYOREO-FZMZJTMJSA-N 1 0 249.354 2.157 20 10 BECDRO COCCCC[NH2+]Cc1cc(C)ccc1O ZINC000070955478 174199831 /nfs/dbraw/zinc/19/98/31/174199831.db2.gz BISBJWNGJQBPES-UHFFFAOYSA-N 1 0 223.316 2.217 20 10 BECDRO COCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111336 174250620 /nfs/dbraw/zinc/25/06/20/174250620.db2.gz FBIYYDZTKJLLQL-SECBINFHSA-N 1 0 227.279 2.218 20 10 BECDRO CO[C@H](C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297895363 174817818 /nfs/dbraw/zinc/81/78/18/174817818.db2.gz VTXSENWHPXGHSF-ZYHUDNBSSA-N 1 0 235.327 2.394 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1C ZINC000089151247 175107447 /nfs/dbraw/zinc/10/74/47/175107447.db2.gz APNBLAOFLPWNQC-UONOGXRCSA-N 1 0 249.354 2.254 20 10 BECDRO COc1ccc(C[NH2+][C@@H](C)CF)cc1C ZINC000288474886 175109414 /nfs/dbraw/zinc/10/94/14/175109414.db2.gz PGCAEBNFXSLXSU-JTQLQIEISA-N 1 0 211.280 2.451 20 10 BECDRO COc1cccc(C[NH2+]CCCSC)c1O ZINC000068997486 175264560 /nfs/dbraw/zinc/26/45/60/175264560.db2.gz VJQSKFIUUQNHAD-UHFFFAOYSA-N 1 0 241.356 2.244 20 10 BECDRO C[C@@H]1CSCC[N@@H+]1Cc1ccccc1O ZINC000179575136 176350954 /nfs/dbraw/zinc/35/09/54/176350954.db2.gz YXOASKDNWHDQBA-SNVBAGLBSA-N 1 0 223.341 2.330 20 10 BECDRO C[C@@H]1CSCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180154540 176351930 /nfs/dbraw/zinc/35/19/30/176351930.db2.gz KIGIMRSJJKINNU-SECBINFHSA-N 1 0 241.331 2.469 20 10 BECDRO C[C@H]([NH2+]CC(C)(C)O)c1cc(Cl)ccc1O ZINC000134920152 176834706 /nfs/dbraw/zinc/83/47/06/176834706.db2.gz DPSYJSOGHRRIGA-QMMMGPOBSA-N 1 0 243.734 2.467 20 10 BECDRO C[C@H]([NH2+]CCCCO)c1ccc(N(C)C)cc1 ZINC000193282831 176843381 /nfs/dbraw/zinc/84/33/81/176843381.db2.gz UXBROLCPROFRGG-LBPRGKRZSA-N 1 0 236.359 2.176 20 10 BECDRO C[C@H](O)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000227954115 176955224 /nfs/dbraw/zinc/95/52/24/176955224.db2.gz GTPQLDGNSTYCOG-VIFPVBQESA-N 1 0 243.734 2.296 20 10 BECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1C ZINC000129580405 323008859 /nfs/dbraw/zinc/00/88/59/323008859.db2.gz CTQUJXKNJWGVTF-UONOGXRCSA-N 1 0 249.354 2.253 20 10 BECDRO Oc1ccccc1C[NH2+]CC1CC=CC1 ZINC000527751617 323677930 /nfs/dbraw/zinc/67/79/30/323677930.db2.gz WWQPQFXDRMEYOD-UHFFFAOYSA-N 1 0 203.285 2.448 20 10 BECDRO CC[C@H](COC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297573454 536122138 /nfs/dbraw/zinc/12/21/38/536122138.db2.gz GUSKRBSNXONXME-NEPJUHHUSA-N 1 0 235.327 2.394 20 10 BECDRO C[NH2+]C[C@H](C)NCc1cc(Cl)cc(C)c1O ZINC000853249734 588728819 /nfs/dbraw/zinc/72/88/19/588728819.db2.gz VKVAXWFMJMDPTH-VIFPVBQESA-N 1 0 242.750 2.052 20 10 BECDRO CC[C@@H](N[C@H](C)C[NH2+]C)c1ccccc1O ZINC000854230876 588781080 /nfs/dbraw/zinc/78/10/80/588781080.db2.gz BAZUTJQVCOQEBQ-ZYHUDNBSSA-N 1 0 222.332 2.041 20 10 BECDRO Cc1ccc(O)c([C@H](C)NCC23CC(C2)C[NH2+]3)c1 ZINC000854226607 588780427 /nfs/dbraw/zinc/78/04/27/588780427.db2.gz IRNQEXMTZCRVHZ-BZUNDVKYSA-N 1 0 246.354 2.103 20 10 BECDRO C[NH2+]C[C@@H](C)N[C@H](C)c1cc(Cl)ccc1O ZINC000854232192 588781249 /nfs/dbraw/zinc/78/12/49/588781249.db2.gz NZUQMHBLVQQNKG-RKDXNWHRSA-N 1 0 242.750 2.304 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C/C=C\CO)c(O)c1C ZINC000850510268 582923497 /nfs/dbraw/zinc/92/34/97/582923497.db2.gz WYTGRPFFUNKXHL-RXNFCKPNSA-N 1 0 235.327 2.208 20 10 BECDRO C[N@H+](CC[C@@H]1CCOC1)Cc1ccccc1O ZINC000783535017 582958908 /nfs/dbraw/zinc/95/89/08/582958908.db2.gz JWFSGRHAMBUMGU-GFCCVEGCSA-N 1 0 235.327 2.251 20 10 BECDRO COc1ccc(C[NH2+]C2CC=CC2)c(O)c1OC ZINC000893131675 583054830 /nfs/dbraw/zinc/05/48/30/583054830.db2.gz GRPCEAZPSDYHBQ-UHFFFAOYSA-N 1 0 249.310 2.218 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c1 ZINC000775985518 583108321 /nfs/dbraw/zinc/10/83/21/583108321.db2.gz MBVSYYONAHWEBO-QWHCGFSZSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1O ZINC000857060527 588884687 /nfs/dbraw/zinc/88/46/87/588884687.db2.gz ASTGYYBLIJAXSN-SMDDNHRTSA-N 1 0 249.354 2.151 20 10 BECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)CCO ZINC000894046225 583287515 /nfs/dbraw/zinc/28/75/15/583287515.db2.gz LLFZMFJBHOJABW-GFCCVEGCSA-N 1 0 236.359 2.133 20 10 BECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2C[C@@H]2C)c1O ZINC000894175549 583326397 /nfs/dbraw/zinc/32/63/97/583326397.db2.gz IXXONWGOSLKDLF-QWRGUYRKSA-N 1 0 235.327 2.455 20 10 BECDRO C/C=C\C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895404331 583667294 /nfs/dbraw/zinc/66/72/94/583667294.db2.gz DXHNXVKDKDFDMP-PLNGDYQASA-N 1 0 221.300 2.375 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+]Cc2c(C)cccc2O)C1 ZINC000895540533 583688217 /nfs/dbraw/zinc/68/82/17/583688217.db2.gz ZQFJSRHRVVQQTH-HAQNSBGRSA-N 1 0 235.327 2.215 20 10 BECDRO C/C=C\C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895629906 583698186 /nfs/dbraw/zinc/69/81/86/583698186.db2.gz CAWSPDALNLGIBQ-PLNGDYQASA-N 1 0 237.299 2.075 20 10 BECDRO Cc1cc(C[NH2+]Cc2cc(C)ccc2O)nn1C ZINC000858238987 588940271 /nfs/dbraw/zinc/94/02/71/588940271.db2.gz GJZNSKDBCZHMOF-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO CCn1cncc1C[NH2+]Cc1cc(C)ccc1O ZINC000858239371 588940340 /nfs/dbraw/zinc/94/03/40/588940340.db2.gz MPCUBYAWHUJOLN-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO C[C@@H]([NH2+]C[C@H](C)O)c1ccc(Cl)cc1O ZINC000841745537 583992937 /nfs/dbraw/zinc/99/29/37/583992937.db2.gz ZYHVJBYRFRRUFQ-JGVFFNPUSA-N 1 0 229.707 2.077 20 10 BECDRO Cc1cc(O)c(C[NH2+]C2CC(CCO)C2)cc1C ZINC000898008793 584070905 /nfs/dbraw/zinc/07/09/05/584070905.db2.gz UNAMVYRRONCETC-UHFFFAOYSA-N 1 0 249.354 2.260 20 10 BECDRO CC[C@H]([NH3+])CNCc1c(O)cc(C)cc1Cl ZINC000841071943 584391932 /nfs/dbraw/zinc/39/19/32/584391932.db2.gz KCJYKVJGLQFXIT-VIFPVBQESA-N 1 0 242.750 2.181 20 10 BECDRO Cc1ccc([C@H](C)N[C@H]2C[NH2+]CC2(C)C)c(O)c1 ZINC000902450548 584606989 /nfs/dbraw/zinc/60/69/89/584606989.db2.gz TWKMSDFXYSGGTL-FZMZJTMJSA-N 1 0 248.370 2.349 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C)c(O)c1C ZINC000903319423 584746675 /nfs/dbraw/zinc/74/66/75/584746675.db2.gz ZCGCARAENWWXJY-STQMWFEESA-N 1 0 248.370 2.364 20 10 BECDRO CN(C[C@H]1CCCC[NH2+]C1)c1ccc(N)cc1 ZINC000903770394 584798533 /nfs/dbraw/zinc/79/85/33/584798533.db2.gz IGCSPURTKSQEOV-LBPRGKRZSA-N 1 0 233.359 2.095 20 10 BECDRO Nc1ccc(NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903915854 584826819 /nfs/dbraw/zinc/82/68/19/584826819.db2.gz CNDWGFDGNWXTGE-FTNCPSPGSA-N 1 0 231.343 2.211 20 10 BECDRO CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817958800 584992170 /nfs/dbraw/zinc/99/21/70/584992170.db2.gz MOSQDZNMHZCKBO-JOYOIKCWSA-N 1 0 240.322 2.165 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(F)cc1[O-] ZINC000817979328 584994335 /nfs/dbraw/zinc/99/43/35/584994335.db2.gz JNCBSNCAWKFGGA-CMPLNLGQSA-N 1 0 240.322 2.309 20 10 BECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000839147529 585092338 /nfs/dbraw/zinc/09/23/38/585092338.db2.gz MADMPXNHIYVYDS-BETUJISGSA-N 1 0 235.327 2.358 20 10 BECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000839191874 585097496 /nfs/dbraw/zinc/09/74/96/585097496.db2.gz LLBGQFCRNSBPAC-KGLIPLIRSA-N 1 0 247.338 2.279 20 10 BECDRO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193298 585097901 /nfs/dbraw/zinc/09/79/01/585097901.db2.gz TTWRSSACJBGHBK-QWRGUYRKSA-N 1 0 221.325 2.082 20 10 BECDRO C[C@@H]1C[C@H]1C[N@H+](C)Cc1ccccc1O ZINC000754100742 585278295 /nfs/dbraw/zinc/27/82/95/585278295.db2.gz FDWJXRBBWXFAOZ-PWSUYJOCSA-N 1 0 205.301 2.480 20 10 BECDRO C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccccc1O ZINC000754100737 585278400 /nfs/dbraw/zinc/27/84/00/585278400.db2.gz FDWJXRBBWXFAOZ-CMPLNLGQSA-N 1 0 205.301 2.480 20 10 BECDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756342846 585317909 /nfs/dbraw/zinc/31/79/09/585317909.db2.gz MCPYSGLIHWTREP-NWDGAFQWSA-N 1 0 237.343 2.431 20 10 BECDRO COCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756342427 585318052 /nfs/dbraw/zinc/31/80/52/585318052.db2.gz JPNRSTNJVBJBOY-WPRPVWTQSA-N 1 0 239.290 2.316 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)O)c(O)c1C ZINC000756564325 585321155 /nfs/dbraw/zinc/32/11/55/585321155.db2.gz SNBHJJWYIMYHHU-LLVKDONJSA-N 1 0 237.343 2.431 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765607987 585491140 /nfs/dbraw/zinc/49/11/40/585491140.db2.gz GJUREHQQUJQBIV-GHMZBOCLSA-N 1 0 235.327 2.135 20 10 BECDRO COc1cccc(O)c1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000769448365 585556940 /nfs/dbraw/zinc/55/69/40/585556940.db2.gz MGPGVCQOYNFPHZ-GHMZBOCLSA-N 1 0 235.327 2.489 20 10 BECDRO CC[N@H+](CCCO)Cc1cc(Cl)ccc1O ZINC000769484193 585558237 /nfs/dbraw/zinc/55/82/37/585558237.db2.gz UZDCBIAYBYFTKE-UHFFFAOYSA-N 1 0 243.734 2.250 20 10 BECDRO Cc1cccc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)c1O ZINC000775985814 585688844 /nfs/dbraw/zinc/68/88/44/585688844.db2.gz OLOBGHLCSWHDES-OLZOCXBDSA-N 1 0 248.370 2.225 20 10 BECDRO Cn1ccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000779091282 585744812 /nfs/dbraw/zinc/74/48/12/585744812.db2.gz QOCASQACAMHEQM-UHFFFAOYSA-N 1 0 234.274 2.160 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1O ZINC000780893350 585785912 /nfs/dbraw/zinc/78/59/12/585785912.db2.gz WCXSXCUDTVXVFN-STQMWFEESA-N 1 0 249.354 2.293 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)[C@H](C)O1 ZINC000783738511 585841401 /nfs/dbraw/zinc/84/14/01/585841401.db2.gz WPPUDUOEXWEWPO-WOPDTQHZSA-N 1 0 235.327 2.390 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CO)CC2)c(O)c1 ZINC000788608382 585927677 /nfs/dbraw/zinc/92/76/77/585927677.db2.gz GHGCTVIXCJKOMM-LBPRGKRZSA-N 1 0 249.354 2.432 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC2(F)CC2)cc1F ZINC000792941993 586007510 /nfs/dbraw/zinc/00/75/10/586007510.db2.gz YPOWLUQSGWYCIE-UHFFFAOYSA-N 1 0 240.297 2.483 20 10 BECDRO C[C@H]1C[C@H](C)[NH+]1Cc1cc2c(cc1O)OCO2 ZINC000793228488 586014770 /nfs/dbraw/zinc/01/47/70/586014770.db2.gz MVULCRKFGCTXHZ-IUCAKERBSA-N 1 0 235.283 2.104 20 10 BECDRO COCCC1([NH2+]Cc2ccccc2O)CCC1 ZINC000793329164 586016941 /nfs/dbraw/zinc/01/69/41/586016941.db2.gz JLYNSPGQBKQDAT-UHFFFAOYSA-N 1 0 235.327 2.441 20 10 BECDRO CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C)cc1O ZINC000794804386 586049373 /nfs/dbraw/zinc/04/93/73/586049373.db2.gz DSKJCWZTQDQCQF-TZMCWYRMSA-N 1 0 248.370 2.445 20 10 BECDRO Cc1ccc(O)c(CN2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000843103682 586367783 /nfs/dbraw/zinc/36/77/83/586367783.db2.gz DGQAHXLLVGGAPK-CQSZACIVSA-N 1 0 248.370 2.130 20 10 BECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](F)C1)CCC2 ZINC000840105693 586447588 /nfs/dbraw/zinc/44/75/88/586447588.db2.gz PYYCBSOCQVDOEF-ZDUSSCGKSA-N 1 0 235.302 2.425 20 10 BECDRO COc1ccc(O)c(CNc2cc[nH+]c(C)c2)c1 ZINC000811806030 586566909 /nfs/dbraw/zinc/56/69/09/586566909.db2.gz HZSKCNSELIFQKV-UHFFFAOYSA-N 1 0 244.294 2.138 20 10 BECDRO COc1cccc(O)c1C[NH+]1CC(C2CC2)C1 ZINC000812775169 586583914 /nfs/dbraw/zinc/58/39/14/586583914.db2.gz HYZGOPJVMUELEB-UHFFFAOYSA-N 1 0 233.311 2.243 20 10 BECDRO Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)ccc1N(C)C ZINC000815079562 586666120 /nfs/dbraw/zinc/66/61/20/586666120.db2.gz SEPYIBASCMARIS-OCCSQVGLSA-N 1 0 248.370 2.016 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCOC2)c(O)c1 ZINC000815597836 586688892 /nfs/dbraw/zinc/68/88/92/586688892.db2.gz HIDXXVKALOVINL-NWDGAFQWSA-N 1 0 235.327 2.449 20 10 BECDRO Oc1c(C[N@H+]2CC[C@@H](O)C2)ccc2ccccc21 ZINC000816483898 586735871 /nfs/dbraw/zinc/73/58/71/586735871.db2.gz JGDFURKKSFCBOG-CYBMUJFWSA-N 1 0 243.306 2.112 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816648719 586751638 /nfs/dbraw/zinc/75/16/38/586751638.db2.gz OAZCILCFXPCRTH-NXEZZACHSA-N 1 0 221.300 2.241 20 10 BECDRO OCC[C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000817418970 586803257 /nfs/dbraw/zinc/80/32/57/586803257.db2.gz MSBNOZJDGGJSAP-ZDUSSCGKSA-N 1 0 249.354 2.377 20 10 BECDRO CC(C)[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938198 586843856 /nfs/dbraw/zinc/84/38/56/586843856.db2.gz GPPWFMCKAYWDHC-WFASDCNBSA-N 1 0 249.402 2.387 20 10 BECDRO CC[C@@H]([NH2+]CCC[NH3+])c1cccc(Cl)c1[O-] ZINC000817938309 586844221 /nfs/dbraw/zinc/84/42/21/586844221.db2.gz IQYSIQKKAJFCSN-LLVKDONJSA-N 1 0 242.750 2.435 20 10 BECDRO Cc1cc(C)c([C@H](C)N[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000817941536 586844961 /nfs/dbraw/zinc/84/49/61/586844961.db2.gz RFIFEOLQFJOTDR-STQMWFEESA-N 1 0 248.370 2.412 20 10 BECDRO Cc1cc(C)c([C@@H](C)N[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000817941531 586845210 /nfs/dbraw/zinc/84/52/10/586845210.db2.gz RFIFEOLQFJOTDR-CHWSQXEVSA-N 1 0 248.370 2.412 20 10 BECDRO Cc1cc(C)c([C@H](C)N[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000817945217 586846314 /nfs/dbraw/zinc/84/63/14/586846314.db2.gz XJTMZTUQKWFVEC-NWDGAFQWSA-N 1 0 234.343 2.022 20 10 BECDRO C[C@H](N[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817945279 586846625 /nfs/dbraw/zinc/84/66/25/586846625.db2.gz YTEKTCFRKRMPIL-WPRPVWTQSA-N 1 0 240.734 2.058 20 10 BECDRO Cc1cc(C)c([C@@H](C)NC[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000817952207 586847861 /nfs/dbraw/zinc/84/78/61/586847861.db2.gz OOQXZHNEZTUBGC-OLZOCXBDSA-N 1 0 248.370 2.412 20 10 BECDRO CC[NH2+]CCN[C@H](CC)c1ccc(C)cc1O ZINC000817951192 586848008 /nfs/dbraw/zinc/84/80/08/586848008.db2.gz AZTJFUHQAZDUND-CYBMUJFWSA-N 1 0 236.359 2.351 20 10 BECDRO Cc1ccc([C@H](C)NC[C@@H]2CCC[NH2+]2)c(O)c1C ZINC000817952787 586848678 /nfs/dbraw/zinc/84/86/78/586848678.db2.gz SDLCHQQASVQIDQ-STQMWFEESA-N 1 0 248.370 2.412 20 10 BECDRO C[NH2+]CCN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000817953653 586849481 /nfs/dbraw/zinc/84/94/81/586849481.db2.gz ROLYLCWNRFFCEB-LLVKDONJSA-N 1 0 248.370 2.141 20 10 BECDRO COCCC[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956425 586850413 /nfs/dbraw/zinc/85/04/13/586850413.db2.gz YRMYSTHXQKTXPM-LBPRGKRZSA-N 1 0 236.359 2.216 20 10 BECDRO CO[C@@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956726 586850848 /nfs/dbraw/zinc/85/08/48/586850848.db2.gz BFMQVWJDZRKBBN-LSDHHAIUSA-N 1 0 248.370 2.359 20 10 BECDRO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(N(C)C)cc1 ZINC000817961208 586852226 /nfs/dbraw/zinc/85/22/26/586852226.db2.gz VJZWNQZEVJKHQJ-ABAIWWIYSA-N 1 0 247.386 2.141 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H](CN)C2CC2)c(O)c1C ZINC000817961308 586852703 /nfs/dbraw/zinc/85/27/03/586852703.db2.gz WWXHVOJFGMUKBC-SMDDNHRTSA-N 1 0 248.370 2.397 20 10 BECDRO CCC[NH2+]CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000817962755 586852810 /nfs/dbraw/zinc/85/28/10/586852810.db2.gz OJXANCKTJZMVIB-CYBMUJFWSA-N 1 0 249.402 2.403 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)CN)c1cc2c(cc1O)CCCC2 ZINC000817970304 586857249 /nfs/dbraw/zinc/85/72/49/586857249.db2.gz QYBINSFIGSBWSN-WDEREUQCSA-N 1 0 248.370 2.269 20 10 BECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCOC2)cc1 ZINC000818237037 586881804 /nfs/dbraw/zinc/88/18/04/586881804.db2.gz XHUVAKBTMAMFTE-VQTKUKTRSA-N 1 0 246.354 2.144 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c(O)c1C ZINC000818358327 586889005 /nfs/dbraw/zinc/88/90/05/586889005.db2.gz VMWDHBJHTQOTDR-CYZMBNFOSA-N 1 0 235.327 2.183 20 10 BECDRO CO[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000821392199 587115934 /nfs/dbraw/zinc/11/59/34/587115934.db2.gz VSNVAZMJIAPUQZ-CHWSQXEVSA-N 1 0 235.327 2.392 20 10 BECDRO Cc1cccc(C[NH+]2CC3(CC3)C2)c1O ZINC000824534024 587274701 /nfs/dbraw/zinc/27/47/01/587274701.db2.gz XOTTUMMOCJCBQD-UHFFFAOYSA-N 1 0 203.285 2.296 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000824649086 587280992 /nfs/dbraw/zinc/28/09/92/587280992.db2.gz BCLQZKODKHJKFZ-CYBMUJFWSA-N 1 0 233.311 2.385 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824649287 587281000 /nfs/dbraw/zinc/28/10/00/587281000.db2.gz CEBFNAZYZMGJOG-LBPRGKRZSA-N 1 0 203.285 2.377 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650671 587281096 /nfs/dbraw/zinc/28/10/96/587281096.db2.gz OTMOGWSEPCECRC-GFCCVEGCSA-N 1 0 233.311 2.385 20 10 BECDRO C[C@@H]1[C@@H](O)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000824959420 587294994 /nfs/dbraw/zinc/29/49/94/587294994.db2.gz GTZTZGRQXUKVMU-KCJUWKMLSA-N 1 0 241.718 2.001 20 10 BECDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccccc2O)C1 ZINC000825091319 587303892 /nfs/dbraw/zinc/30/38/92/587303892.db2.gz YCOGKQZSVDWXJD-CYBMUJFWSA-N 1 0 249.354 2.375 20 10 BECDRO CC1(C)CCCN1CC[NH2+]Cc1ccccc1O ZINC000825326007 587315207 /nfs/dbraw/zinc/31/52/07/587315207.db2.gz JNQVMRJMAFNDRG-UHFFFAOYSA-N 1 0 248.370 2.356 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1([C@@H](C)O)CC1 ZINC000827585338 587390211 /nfs/dbraw/zinc/39/02/11/587390211.db2.gz GCSAWTBJIQSNMQ-GFCCVEGCSA-N 1 0 248.370 2.064 20 10 BECDRO Cc1cc(O)c(C[NH2+]C2([C@H](C)O)CC2)cc1C ZINC000827585616 587390530 /nfs/dbraw/zinc/39/05/30/587390530.db2.gz MYNNWYHPPRXYHV-NSHDSACASA-N 1 0 235.327 2.012 20 10 BECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1 ZINC000832224491 587651635 /nfs/dbraw/zinc/65/16/35/587651635.db2.gz COIKDKBIWDVNMK-IUODEOHRSA-N 1 0 248.370 2.098 20 10 BECDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccccc1O ZINC000834916149 587770761 /nfs/dbraw/zinc/77/07/61/587770761.db2.gz VMQNPHJMSUEDAC-YRGRVCCFSA-N 1 0 235.327 2.346 20 10 BECDRO COC[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034290 587779366 /nfs/dbraw/zinc/77/93/66/587779366.db2.gz SMSVZFOYIDQQQC-SZZPACECSA-N 1 0 248.370 2.390 20 10 BECDRO CN(C)c1ccc(CNc2[nH+]ccn2C)cc1 ZINC000840886908 587927949 /nfs/dbraw/zinc/92/79/49/587927949.db2.gz CRMXWAUYGGLJRW-UHFFFAOYSA-N 1 0 230.315 2.098 20 10 BECDRO Cc1cc(O)c(CNc2[nH+]ccn2C)cc1C ZINC000840887579 587928210 /nfs/dbraw/zinc/92/82/10/587928210.db2.gz LWNORZXYBGRWNC-UHFFFAOYSA-N 1 0 231.299 2.355 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H](C)CCO)c(Cl)c1 ZINC000840899498 587928688 /nfs/dbraw/zinc/92/86/88/587928688.db2.gz NULBQFLPURRGCR-VIFPVBQESA-N 1 0 243.734 2.215 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCF ZINC000840942564 587931386 /nfs/dbraw/zinc/93/13/86/587931386.db2.gz GOASTCSBLOQYEZ-UHFFFAOYSA-N 1 0 210.296 2.120 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000840950363 587931835 /nfs/dbraw/zinc/93/18/35/587931835.db2.gz JGUPJAVCDHDUPM-IUODEOHRSA-N 1 0 248.370 2.016 20 10 BECDRO CCCC[C@@H](CN)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841030226 587935861 /nfs/dbraw/zinc/93/58/61/587935861.db2.gz VBPCQRGWKNJZBK-AWEZNQCLSA-N 1 0 249.402 2.360 20 10 BECDRO CC[C@H](C)C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046013 587939173 /nfs/dbraw/zinc/93/91/73/587939173.db2.gz UKQHTTCJVPAVFB-SWLSCSKDSA-N 1 0 249.402 2.388 20 10 BECDRO C[C@H](CC[NH3+])[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841051568 587939917 /nfs/dbraw/zinc/93/99/17/587939917.db2.gz QGDMHWVDCMLNIA-SSDOTTSWSA-N 1 0 246.713 2.012 20 10 BECDRO Cc1cc(O)c(CN[C@H]2CCC[NH2+][C@H]2C)cc1C ZINC000841064518 587941302 /nfs/dbraw/zinc/94/13/02/587941302.db2.gz HISVTFYHWLANGZ-JSGCOSHPSA-N 1 0 248.370 2.239 20 10 BECDRO COc1ccc(CN[C@@H]2CCC[NH2+][C@H]2C)cc1C ZINC000841064738 587941521 /nfs/dbraw/zinc/94/15/21/587941521.db2.gz INGPZPYCQZOOCY-GXTWGEPZSA-N 1 0 248.370 2.234 20 10 BECDRO CC[NH2+][C@H](C)CNCc1cc(Cl)ccc1O ZINC000841064567 587941552 /nfs/dbraw/zinc/94/15/52/587941552.db2.gz CAZJXCAFONKIRR-SECBINFHSA-N 1 0 242.750 2.133 20 10 BECDRO CC[C@H]([NH3+])CNC/C=C/c1ccc(N(C)C)cc1 ZINC000841071376 587942500 /nfs/dbraw/zinc/94/25/00/587942500.db2.gz FDMYLCLQAOSLBD-GJBLVYBDSA-N 1 0 247.386 2.093 20 10 BECDRO C[C@H](CCC[NH3+])[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841078380 587944602 /nfs/dbraw/zinc/94/46/02/587944602.db2.gz CDQGVJQNYRDSCY-SECBINFHSA-N 1 0 242.750 2.263 20 10 BECDRO C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841078381 587944718 /nfs/dbraw/zinc/94/47/18/587944718.db2.gz CDQGVJQNYRDSCY-VIFPVBQESA-N 1 0 242.750 2.263 20 10 BECDRO C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(F)c1[O-] ZINC000841078207 587944956 /nfs/dbraw/zinc/94/49/56/587944956.db2.gz CMHOVPNQCKQNHI-SNVBAGLBSA-N 1 0 240.322 2.138 20 10 BECDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(F)ccc1O ZINC000841760088 587974368 /nfs/dbraw/zinc/97/43/68/587974368.db2.gz SUJJVKIQQUUOAZ-GMOODISLSA-N 1 0 239.290 2.095 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1C ZINC000841890366 587981973 /nfs/dbraw/zinc/98/19/73/587981973.db2.gz AGJYNYJTWJUBTJ-XBXGTLAGSA-N 1 0 235.327 2.012 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000842681944 588052218 /nfs/dbraw/zinc/05/22/18/588052218.db2.gz VQMGIZVLDMHSFX-TZMCWYRMSA-N 1 0 248.370 2.328 20 10 BECDRO Cc1cc(Cl)cc(CN(C)[C@@H](C)C[NH3+])c1O ZINC000843051084 588076890 /nfs/dbraw/zinc/07/68/90/588076890.db2.gz DZBPMDAEUQPJTJ-VIFPVBQESA-N 1 0 242.750 2.133 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CN)c1O ZINC000843052399 588077362 /nfs/dbraw/zinc/07/73/62/588077362.db2.gz SOEKPJDVWZKLTO-FZMZJTMJSA-N 1 0 248.370 2.260 20 10 BECDRO COC[C@@H](C)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058411 588077466 /nfs/dbraw/zinc/07/74/66/588077466.db2.gz RPLCDGXUMOMKLI-LBPRGKRZSA-N 1 0 248.370 2.180 20 10 BECDRO Cc1cc(O)c(CN2C[C@H](C)[NH2+]C[C@@H]2C)cc1C ZINC000843119746 588083721 /nfs/dbraw/zinc/08/37/21/588083721.db2.gz GREFQDCXXWVRJW-STQMWFEESA-N 1 0 248.370 2.191 20 10 BECDRO Cc1cc(O)c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)cc1C ZINC000843119744 588083734 /nfs/dbraw/zinc/08/37/34/588083734.db2.gz GREFQDCXXWVRJW-OLZOCXBDSA-N 1 0 248.370 2.191 20 10 BECDRO C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000843130172 588085604 /nfs/dbraw/zinc/08/56/04/588085604.db2.gz ZIAVTEJIBDNILE-BDAKNGLRSA-N 1 0 242.750 2.261 20 10 BECDRO CCN(CC)c1ccc(CN(C)C[C@H](C)[NH3+])cc1 ZINC000844220216 588173722 /nfs/dbraw/zinc/17/37/22/588173722.db2.gz AZHCMMRMAFVJIX-ZDUSSCGKSA-N 1 0 249.402 2.312 20 10 BECDRO CCOCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846141361 588258342 /nfs/dbraw/zinc/25/83/42/588258342.db2.gz NVAJXHCOTIWXKU-JTQLQIEISA-N 1 0 239.315 2.088 20 10 BECDRO CCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846139229 588258492 /nfs/dbraw/zinc/25/84/92/588258492.db2.gz XVOMKMSOVNKMGQ-VIFPVBQESA-N 1 0 209.289 2.461 20 10 BECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)OC)c1O ZINC000846164111 588259055 /nfs/dbraw/zinc/25/90/55/588259055.db2.gz MSZNLWHESNKRGU-NXEZZACHSA-N 1 0 239.315 2.086 20 10 BECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)OC)c1O ZINC000846164115 588259099 /nfs/dbraw/zinc/25/90/99/588259099.db2.gz MSZNLWHESNKRGU-VHSXEESVSA-N 1 0 239.315 2.086 20 10 BECDRO CCc1cccc(C[N@H+](C)CC(C)(C)O)c1O ZINC000848887223 588416591 /nfs/dbraw/zinc/41/65/91/588416591.db2.gz QSELIYZNTGZVMM-UHFFFAOYSA-N 1 0 237.343 2.157 20 10 BECDRO CCc1cccc(C[NH+]2CCC(C)(O)CC2)c1O ZINC000848886723 588417120 /nfs/dbraw/zinc/41/71/20/588417120.db2.gz HPZKOCJTAPWWMV-UHFFFAOYSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[NH2+][C@](C)(CO)C2CC2)c1O ZINC000848900839 588418319 /nfs/dbraw/zinc/41/83/19/588418319.db2.gz KYJULILYLSNCKA-OAHLLOKOSA-N 1 0 249.354 2.205 20 10 BECDRO CCc1cccc(C[NH+]2CC(C)(OC)C2)c1O ZINC000848912210 588418323 /nfs/dbraw/zinc/41/83/23/588418323.db2.gz OFFDVYWQABVVAM-UHFFFAOYSA-N 1 0 235.327 2.175 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1O ZINC000848906661 588419545 /nfs/dbraw/zinc/41/95/45/588419545.db2.gz XPZRJKIQQGQSCZ-FZMZJTMJSA-N 1 0 249.354 2.157 20 10 BECDRO C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2O)C1 ZINC000848985025 588425376 /nfs/dbraw/zinc/42/53/76/588425376.db2.gz XOMROVBAZXMOBQ-LLVKDONJSA-N 1 0 247.342 2.148 20 10 BECDRO CCCNC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849049541 588451486 /nfs/dbraw/zinc/45/14/86/588451486.db2.gz RVUJARIGMYILLJ-UHFFFAOYSA-N 1 0 241.722 2.070 20 10 BECDRO COC1CC(CC[NH2+]Cc2ccccc2O)C1 ZINC000850344076 588537930 /nfs/dbraw/zinc/53/79/30/588537930.db2.gz WGUKATVZGASXMZ-UHFFFAOYSA-N 1 0 235.327 2.297 20 10 BECDRO CC[C@@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000850373037 588541636 /nfs/dbraw/zinc/54/16/36/588541636.db2.gz AINBQZKEHUJDOF-IYKSTZQJSA-N 1 0 248.370 2.126 20 10 BECDRO CC[C@@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000850529123 588557991 /nfs/dbraw/zinc/55/79/91/588557991.db2.gz NNYLMPYHWPXLOQ-VXGBXAGGSA-N 1 0 237.343 2.431 20 10 BECDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(C)cc1O ZINC000850579442 588561286 /nfs/dbraw/zinc/56/12/86/588561286.db2.gz XEJRTFUWSOOCKN-GVXVVHGQSA-N 1 0 235.327 2.265 20 10 BECDRO Oc1cc2c(cc1C[NH+](C1CC1)C1CC1)OCO2 ZINC000863305080 589277792 /nfs/dbraw/zinc/27/77/92/589277792.db2.gz UBTYOGRLNYZSKO-UHFFFAOYSA-N 1 0 247.294 2.248 20 10 BECDRO COc1ccc(CN[C@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000863485324 589293333 /nfs/dbraw/zinc/29/33/33/589293333.db2.gz ZGPDZPAYLROXBQ-OCCSQVGLSA-N 1 0 248.370 2.234 20 10 BECDRO Cc1ccc([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)c(O)c1 ZINC000863544938 589297622 /nfs/dbraw/zinc/29/76/22/589297622.db2.gz FMYSYDVWMDTUPA-AVGNSLFASA-N 1 0 248.370 2.492 20 10 BECDRO CN(CCCCCC[NH3+])c1ccc(N)cc1 ZINC000863558615 589299158 /nfs/dbraw/zinc/29/91/58/589299158.db2.gz PLEUBCLOTCYQIP-UHFFFAOYSA-N 1 0 221.348 2.224 20 10 BECDRO C[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000120158851 589384804 /nfs/dbraw/zinc/38/48/04/589384804.db2.gz VZIVZPIROQOLOF-LBPRGKRZSA-N 1 0 241.718 2.314 20 10 BECDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccccc1O ZINC000205806785 589471522 /nfs/dbraw/zinc/47/15/22/589471522.db2.gz YQDZTTHQNZENKM-DGCLKSJQSA-N 1 0 237.343 2.279 20 10 BECDRO C[N@H+](Cc1ccncc1)Cc1ccccc1O ZINC000121139152 589503599 /nfs/dbraw/zinc/50/35/99/589503599.db2.gz LZFJFYRGJALRTN-UHFFFAOYSA-N 1 0 228.295 2.419 20 10 BECDRO Cc1cccc(C[NH2+]C2CCC(O)CC2)c1O ZINC000123514093 589739782 /nfs/dbraw/zinc/73/97/82/589739782.db2.gz XOIMHRWSCLRDJA-UHFFFAOYSA-N 1 0 235.327 2.094 20 10 BECDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000019904570 590040860 /nfs/dbraw/zinc/04/08/60/590040860.db2.gz RCIMZZPCEAFRNX-ZJUUUORDSA-N 1 0 209.289 2.078 20 10 BECDRO COC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019904835 590040890 /nfs/dbraw/zinc/04/08/90/590040890.db2.gz KCAXRGHWDRRXJE-NXEZZACHSA-N 1 0 239.315 2.086 20 10 BECDRO COc1ccc(C[NH2+]Cc2ccccc2O)cn1 ZINC000020186113 590082320 /nfs/dbraw/zinc/08/23/20/590082320.db2.gz WZFCUPGUVCCKSC-UHFFFAOYSA-N 1 0 244.294 2.086 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000124811972 590090734 /nfs/dbraw/zinc/09/07/34/590090734.db2.gz NWARMTVKTUWSAM-CYBMUJFWSA-N 1 0 248.370 2.132 20 10 BECDRO Cc1cccc(O)c1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000876512323 590205840 /nfs/dbraw/zinc/20/58/40/590205840.db2.gz LNESBUSUQIECAE-VXGBXAGGSA-N 1 0 235.327 2.310 20 10 BECDRO CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000876545467 590213487 /nfs/dbraw/zinc/21/34/87/590213487.db2.gz NUAZSGWAAMYCKR-XPSMFNQNSA-N 1 0 244.338 2.205 20 10 BECDRO COC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876554816 590215171 /nfs/dbraw/zinc/21/51/71/590215171.db2.gz UFLUMUOLHCNQEG-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[NH+]2CCSCC2)c(O)c1 ZINC000876562240 590215367 /nfs/dbraw/zinc/21/53/67/590215367.db2.gz WXGSPQUWANKLKV-UHFFFAOYSA-N 1 0 223.341 2.249 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CCN(C(C)C)CC1 ZINC000876564010 590216547 /nfs/dbraw/zinc/21/65/47/590216547.db2.gz FRWUTFWRSJRPOI-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)cc1C ZINC000876608230 590221334 /nfs/dbraw/zinc/22/13/34/590221334.db2.gz CPNVCFIHYZORLO-CYBMUJFWSA-N 1 0 244.338 2.314 20 10 BECDRO Cc1ccc(N(C)C(=O)C2=CC[C@H]([NH3+])C2)cc1C ZINC000876608231 590221410 /nfs/dbraw/zinc/22/14/10/590221410.db2.gz CPNVCFIHYZORLO-ZDUSSCGKSA-N 1 0 244.338 2.314 20 10 BECDRO COCCC[N@H+](C)Cc1c(C)cccc1O ZINC000876646145 590225726 /nfs/dbraw/zinc/22/57/26/590225726.db2.gz SNOSDZGVOSTJJF-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC000876742466 590234730 /nfs/dbraw/zinc/23/47/30/590234730.db2.gz PAXICSWDIPDFIR-BETUJISGSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c(O)c1 ZINC000876739311 590234865 /nfs/dbraw/zinc/23/48/65/590234865.db2.gz OAHLZAXCTZBZJW-RYUDHWBXSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1ccc(C[N@H+](C)Cc2cn[nH]c2)c(O)c1 ZINC000876742817 590235244 /nfs/dbraw/zinc/23/52/44/590235244.db2.gz WVUGAXYARPHFEF-UHFFFAOYSA-N 1 0 231.299 2.056 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c(O)c1 ZINC000876748792 590237552 /nfs/dbraw/zinc/23/75/52/590237552.db2.gz FRMUARPXZOWQFC-GXTWGEPZSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000876789819 590241626 /nfs/dbraw/zinc/24/16/26/590241626.db2.gz KHBIBFJPCLFWKT-HNNXBMFYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)N(C)C ZINC000876889488 590254118 /nfs/dbraw/zinc/25/41/18/590254118.db2.gz OITRYNUIIDPHMA-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1ccco1 ZINC000876918147 590257433 /nfs/dbraw/zinc/25/74/33/590257433.db2.gz ZCPAJXLUGPKWMA-ZDUSSCGKSA-N 1 0 247.294 2.117 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H]2CCCCO2)c(O)c1 ZINC000876972521 590263095 /nfs/dbraw/zinc/26/30/95/590263095.db2.gz VENRDBUOCBVKCK-CYBMUJFWSA-N 1 0 235.327 2.359 20 10 BECDRO Oc1ccccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000876996500 590266850 /nfs/dbraw/zinc/26/68/50/590266850.db2.gz WWVPBICGMVLPSB-GFCCVEGCSA-N 1 0 221.300 2.051 20 10 BECDRO Oc1ccccc1C[NH2+]CCC[C@H]1CCO1 ZINC000876996501 590266948 /nfs/dbraw/zinc/26/69/48/590266948.db2.gz WWVPBICGMVLPSB-LBPRGKRZSA-N 1 0 221.300 2.051 20 10 BECDRO CO[C@@H](C)CC[NH2+]Cc1c(C)cccc1O ZINC000876997122 590266970 /nfs/dbraw/zinc/26/69/70/590266970.db2.gz ODYFKCLSLLPGPB-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000877019912 590269940 /nfs/dbraw/zinc/26/99/40/590269940.db2.gz IBKYPXHXBOFRGM-GFCCVEGCSA-N 1 0 246.354 2.027 20 10 BECDRO CCC[C@@](C)(O)C[NH2+]Cc1c(C)cccc1O ZINC000877028153 590271560 /nfs/dbraw/zinc/27/15/60/590271560.db2.gz ZGKLKBIYVIVQEV-CQSZACIVSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@@H](COC)[NH2+]Cc1ccc(C)cc1O ZINC000877056676 590275844 /nfs/dbraw/zinc/27/58/44/590275844.db2.gz MNEONNUCPRBRIF-LBPRGKRZSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCSC2)c(O)c1 ZINC000877071760 590277645 /nfs/dbraw/zinc/27/76/45/590277645.db2.gz BRWMNBHJFDAFLN-LLVKDONJSA-N 1 0 223.341 2.296 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000877118644 590288575 /nfs/dbraw/zinc/28/85/75/590288575.db2.gz IPSXIUJHXPZWKF-NWDGAFQWSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cc(C[NH2+]Cc2ccc(C)cc2O)on1 ZINC000877150033 590292498 /nfs/dbraw/zinc/29/24/98/590292498.db2.gz KKUZSOYRTHSIAO-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO Cc1ccc(C[NH2+]CCN2CCC[C@@H]2C)c(O)c1 ZINC000877156562 590293276 /nfs/dbraw/zinc/29/32/76/590293276.db2.gz XIWVMOALJCEXDG-ZDUSSCGKSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000877154229 590293431 /nfs/dbraw/zinc/29/34/31/590293431.db2.gz NMSZFBHLIISHSN-GFCCVEGCSA-N 1 0 248.370 2.132 20 10 BECDRO Cc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)c(O)c1 ZINC000877306953 590310761 /nfs/dbraw/zinc/31/07/61/590310761.db2.gz BNRKZRVBDXZGAB-BXUZGUMPSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(C[N@@H+](C)CC2(O)CCC2)c(O)c1 ZINC000877347099 590319123 /nfs/dbraw/zinc/31/91/23/590319123.db2.gz XOSSSHQPCMLCGG-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c(O)c1 ZINC000877407062 590323672 /nfs/dbraw/zinc/32/36/72/590323672.db2.gz MEYWLNFEZYYSJQ-OLZOCXBDSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c(O)c1 ZINC000877409689 590323981 /nfs/dbraw/zinc/32/39/81/590323981.db2.gz XZEXVQYYXKPBCQ-STQMWFEESA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c(O)c1 ZINC000877442708 590328662 /nfs/dbraw/zinc/32/86/62/590328662.db2.gz UMGOPILYNAPGOH-JSGCOSHPSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000877442399 590328761 /nfs/dbraw/zinc/32/87/61/590328761.db2.gz GZFYLHAAZPTXSQ-JSGCOSHPSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CC1(N(C)C)CCC1 ZINC000877461865 590332271 /nfs/dbraw/zinc/33/22/71/590332271.db2.gz LHFFRYOSJKHPPM-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)c(O)c1 ZINC000877480632 590337435 /nfs/dbraw/zinc/33/74/35/590337435.db2.gz BIXIKNSCJYHHDW-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](CO)CC2CCC2)c(O)c1 ZINC000877491399 590340331 /nfs/dbraw/zinc/34/03/31/590340331.db2.gz RNLLENGPPNUAFG-CQSZACIVSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[N@@H+]2CCOCC23CC3)c(O)c1 ZINC000877504435 590342364 /nfs/dbraw/zinc/34/23/64/590342364.db2.gz KLLSCDSZQBKCOM-UHFFFAOYSA-N 1 0 233.311 2.065 20 10 BECDRO CC[N@H+](Cc1c(C)cccc1O)[C@H]1CCOC1 ZINC000877543503 590351685 /nfs/dbraw/zinc/35/16/85/590351685.db2.gz CLFRYOCGJUVLGG-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c(O)c1 ZINC000877553288 590354972 /nfs/dbraw/zinc/35/49/72/590354972.db2.gz MUJFARXLEFSBPU-SWLSCSKDSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CCCCO ZINC000877561015 590359791 /nfs/dbraw/zinc/35/97/91/590359791.db2.gz BEHBRHDEMLPVCX-LBPRGKRZSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(C)cccc1O ZINC000877562428 590360198 /nfs/dbraw/zinc/36/01/98/590360198.db2.gz ZVUFAAOPNXCOGQ-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H](C)CC(C)(C)O ZINC000877563691 590360869 /nfs/dbraw/zinc/36/08/69/590360869.db2.gz RAOGCZYJNRIRMA-LLVKDONJSA-N 1 0 237.343 2.340 20 10 BECDRO Cc1ccc(C[NH+]2CC3(C2)CCOCC3)c(O)c1 ZINC000877581288 590365616 /nfs/dbraw/zinc/36/56/16/590365616.db2.gz VBEOXTWRUXQVOC-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO COCC[C@H](C)C[NH2+]Cc1c(C)cccc1O ZINC000877587178 590367387 /nfs/dbraw/zinc/36/73/87/590367387.db2.gz HIGNSRSMVLUBRY-NSHDSACASA-N 1 0 237.343 2.463 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c(O)c1 ZINC000877596555 590370055 /nfs/dbraw/zinc/37/00/55/590370055.db2.gz UGJZDGFIVRTVET-YPMHNXCESA-N 1 0 235.327 2.046 20 10 BECDRO CCCN1CC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877636500 590380680 /nfs/dbraw/zinc/38/06/80/590380680.db2.gz YXOQOJGJSKUGSE-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000877640351 590381673 /nfs/dbraw/zinc/38/16/73/590381673.db2.gz LWYXVAKGJVAYEV-IUODEOHRSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000877637463 590382131 /nfs/dbraw/zinc/38/21/31/590382131.db2.gz ILDOCCFIJZSDMB-CHWSQXEVSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c(O)c1 ZINC000877681286 590390600 /nfs/dbraw/zinc/39/06/00/590390600.db2.gz FXVMSSRAVDBKDV-GMXVVIOVSA-N 1 0 235.327 2.356 20 10 BECDRO CCN(CC)c1ccc(C[NH2+]C2(C)COC2)cc1 ZINC000877691233 590392944 /nfs/dbraw/zinc/39/29/44/590392944.db2.gz LLUPOLYZXNIMAX-UHFFFAOYSA-N 1 0 248.370 2.411 20 10 BECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccnn1C ZINC000877762148 590419206 /nfs/dbraw/zinc/41/92/06/590419206.db2.gz AIMDHVMFIVSBRJ-VIFPVBQESA-N 1 0 249.289 2.116 20 10 BECDRO Cc1cccc(C[NH2+][C@H](C)c2ccnn2C)c1O ZINC000877763222 590419321 /nfs/dbraw/zinc/41/93/21/590419321.db2.gz RBHSHOHUKXWITQ-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccnn1C ZINC000877762143 590419406 /nfs/dbraw/zinc/41/94/06/590419406.db2.gz AIMDHVMFIVSBRJ-SECBINFHSA-N 1 0 249.289 2.116 20 10 BECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c(C)cccc1O ZINC000877779154 590422738 /nfs/dbraw/zinc/42/27/38/590422738.db2.gz ZRJCDRFCURYDAF-NEPJUHHUSA-N 1 0 237.343 2.340 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c1O ZINC000877836401 590431121 /nfs/dbraw/zinc/43/11/21/590431121.db2.gz WIVOUSCZXMTXBH-CYBMUJFWSA-N 1 0 249.354 2.293 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCOCC2(C)C)cc1 ZINC000130856131 591530413 /nfs/dbraw/zinc/53/04/13/591530413.db2.gz HUEADLGKYLEKMT-UHFFFAOYSA-N 1 0 248.370 2.363 20 10 BECDRO Nc1ccc(CC[NH2+]Cc2cncs2)cc1 ZINC000131583695 591624426 /nfs/dbraw/zinc/62/44/26/591624426.db2.gz VGMPPGKHNPXACV-UHFFFAOYSA-N 1 0 233.340 2.058 20 10 BECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCF)c1 ZINC000132111380 591687641 /nfs/dbraw/zinc/68/76/41/591687641.db2.gz GBQHPHZZLLPNID-SECBINFHSA-N 1 0 227.279 2.411 20 10 BECDRO CCC[N@H+](C)Cc1cccc(OC)c1O ZINC000132580355 591721038 /nfs/dbraw/zinc/72/10/38/591721038.db2.gz WDGOKHFZFLNUHH-UHFFFAOYSA-N 1 0 209.289 2.243 20 10 BECDRO Oc1cc2c(cc1C[NH2+]Cc1ccoc1)OCO2 ZINC000134227227 591903768 /nfs/dbraw/zinc/90/37/68/591903768.db2.gz ARKITTXTLSHOIF-UHFFFAOYSA-N 1 0 247.250 2.004 20 10 BECDRO COCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000134906232 591957615 /nfs/dbraw/zinc/95/76/15/591957615.db2.gz IMLTWZVZMRUTHT-NSHDSACASA-N 1 0 223.316 2.306 20 10 BECDRO C[C@H]([NH2+][C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000134937853 591961866 /nfs/dbraw/zinc/96/18/66/591961866.db2.gz UANMTUBUNYAWPD-WPRPVWTQSA-N 1 0 241.718 2.485 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886289593 592201708 /nfs/dbraw/zinc/20/17/08/592201708.db2.gz YUNFFUNEISCTEH-ZDUSSCGKSA-N 1 0 247.338 2.441 20 10 BECDRO C[C@H]([NH2+]C[C@H]1C[C@]12CCOC2)c1ccccc1O ZINC000886310284 592204995 /nfs/dbraw/zinc/20/49/95/592204995.db2.gz IKPMUSSJLXFZMN-ZOWXZIJZSA-N 1 0 247.338 2.469 20 10 BECDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccccc1O ZINC000220662537 592321511 /nfs/dbraw/zinc/32/15/11/592321511.db2.gz OOZOOQMOHXPQKB-GXSJLCMTSA-N 1 0 223.341 2.376 20 10 BECDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccccc1O ZINC000300613727 592516130 /nfs/dbraw/zinc/51/61/30/592516130.db2.gz STVLIJJLGWFINX-SRVKXCTJSA-N 1 0 235.327 2.468 20 10 BECDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000223660258 592537816 /nfs/dbraw/zinc/53/78/16/592537816.db2.gz OKWOUWRPLFZERB-NEPJUHHUSA-N 1 0 237.343 2.450 20 10 BECDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1O ZINC000313031858 634439011 /nfs/dbraw/zinc/43/90/11/634439011.db2.gz ZCNCJANKLNEUHZ-GXFFZTMASA-N 1 0 235.327 2.468 20 10 BECDRO Oc1ccccc1C[NH2+]CCc1cscn1 ZINC000082626177 631408361 /nfs/dbraw/zinc/40/83/61/631408361.db2.gz GHBSFDJKXMQRRC-UHFFFAOYSA-N 1 0 234.324 2.181 20 10 BECDRO CN(C)CC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000308609919 631447321 /nfs/dbraw/zinc/44/73/21/631447321.db2.gz UNIXQBUWPXCUCT-UHFFFAOYSA-N 1 0 248.370 2.051 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1 ZINC000089163514 631496849 /nfs/dbraw/zinc/49/68/49/631496849.db2.gz PGSXGMSLDDACCW-DZGCQCFKSA-N 1 0 248.370 2.003 20 10 BECDRO COc1cccc(C[NH2+][C@H]2CC[C@@H]2C)c1O ZINC000309392381 632023114 /nfs/dbraw/zinc/02/31/14/632023114.db2.gz FOZGJPUMTQVEOE-ONGXEEELSA-N 1 0 221.300 2.289 20 10 BECDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000228084884 632458263 /nfs/dbraw/zinc/45/82/63/632458263.db2.gz AFWKSBLBYMPSOJ-RYUDHWBXSA-N 1 0 236.359 2.002 20 10 BECDRO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000310115245 632702944 /nfs/dbraw/zinc/70/29/44/632702944.db2.gz CAOUWIFCOCKGKE-YPMHNXCESA-N 1 0 235.327 2.033 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCOCC2)c1 ZINC000310357690 632727023 /nfs/dbraw/zinc/72/70/23/632727023.db2.gz SJKVJFZLDYOYLD-CYBMUJFWSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CO)c1O ZINC000309367916 632981924 /nfs/dbraw/zinc/98/19/24/632981924.db2.gz BMSMKTYYNNMPJZ-RKDXNWHRSA-N 1 0 243.734 2.385 20 10 BECDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)SC)c1 ZINC000162710857 633036720 /nfs/dbraw/zinc/03/67/20/633036720.db2.gz XJSJYGZOWGZFMV-SECBINFHSA-N 1 0 241.356 2.242 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@H]1CCOC1)CC2 ZINC000311106695 633068439 /nfs/dbraw/zinc/06/84/39/633068439.db2.gz VLMGSBRLZJDITP-AAEUAGOBSA-N 1 0 247.338 2.396 20 10 BECDRO COC[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000309513357 633940095 /nfs/dbraw/zinc/94/00/95/633940095.db2.gz QKFGZDNODWWBSG-KOLCDFICSA-N 1 0 221.300 2.004 20 10 BECDRO Cc1ccc(C[N@H+]2CCN(C)C(C)(C)C2)c(O)c1 ZINC000895563624 636158722 /nfs/dbraw/zinc/15/87/22/636158722.db2.gz JLAKDSHIPMQZRV-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO C[C@H]1CC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000310138629 635197461 /nfs/dbraw/zinc/19/74/61/635197461.db2.gz BSYBGKYZNRBBLJ-WCBMZHEXSA-N 1 0 235.283 2.009 20 10 BECDRO CCOc1ccc(N(C)C[C@H]2CCC[NH2+]2)cc1 ZINC000258835886 635210167 /nfs/dbraw/zinc/21/01/67/635210167.db2.gz GKTHBILOJLPFEA-GFCCVEGCSA-N 1 0 234.343 2.274 20 10 BECDRO Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]C[C@H]2C)c(O)c1C ZINC000925782728 635279709 /nfs/dbraw/zinc/27/97/09/635279709.db2.gz HOQZBMRCROCUPU-MPKXVKKWSA-N 1 0 248.370 2.268 20 10 BECDRO C[C@H]([NH2+]Cc1ccno1)c1ccccc1O ZINC000223660840 635374688 /nfs/dbraw/zinc/37/46/88/635374688.db2.gz KGCIUVQZSANMAD-VIFPVBQESA-N 1 0 218.256 2.231 20 10 BECDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccccc1O ZINC000304065301 636320025 /nfs/dbraw/zinc/32/00/25/636320025.db2.gz SVJPLIPCBCATKU-FZMZJTMJSA-N 1 0 237.343 2.279 20 10 BECDRO OCCCC[N@H+](Cc1ccccc1O)C1CC1 ZINC000305741988 636329707 /nfs/dbraw/zinc/32/97/07/636329707.db2.gz GSFGFDWVICZTLC-UHFFFAOYSA-N 1 0 235.327 2.129 20 10 BECDRO CC(C)C[C@](C)(C[NH3+])C(=O)Nc1ccc(N)cc1 ZINC000911661306 639692702 /nfs/dbraw/zinc/69/27/02/639692702.db2.gz UPMVVDILNWHGNP-CQSZACIVSA-N 1 0 249.358 2.218 20 10 BECDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1O ZINC000163983540 640434966 /nfs/dbraw/zinc/43/49/66/640434966.db2.gz WVJFVIWUEUQJGQ-QWRGUYRKSA-N 1 0 223.316 2.204 20 10 BECDRO COC[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000164402879 640481636 /nfs/dbraw/zinc/48/16/36/640481636.db2.gz FBYXBFOOVCIVOI-NSHDSACASA-N 1 0 223.316 2.134 20 10 BECDRO C[C@H](O)C[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000164559607 640488319 /nfs/dbraw/zinc/48/83/19/640488319.db2.gz JGYTWVXJDUFRLL-IUCAKERBSA-N 1 0 243.734 2.295 20 10 BECDRO CC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000224183114 640601405 /nfs/dbraw/zinc/60/14/05/640601405.db2.gz BKUMZCVSULIYMR-UHFFFAOYSA-N 1 0 235.283 2.011 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H](O)CC(C)C)c1O ZINC000224571257 640625270 /nfs/dbraw/zinc/62/52/70/640625270.db2.gz LYVCEVXKKCQPLM-ZDUSSCGKSA-N 1 0 237.343 2.197 20 10 BECDRO COc1ccc(C[NH2+]CC2(CCO)CC2)cc1C ZINC000157353727 640671255 /nfs/dbraw/zinc/67/12/55/640671255.db2.gz MGQZJJMUWZTCAZ-UHFFFAOYSA-N 1 0 249.354 2.256 20 10 BECDRO CC1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226613632 640780272 /nfs/dbraw/zinc/78/02/72/640780272.db2.gz DSPLLQQTTAPZDM-UHFFFAOYSA-N 1 0 209.264 2.421 20 10 BECDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000158220136 640825282 /nfs/dbraw/zinc/82/52/82/640825282.db2.gz CZYJPRIKNSJMRC-STQMWFEESA-N 1 0 235.327 2.439 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCCS1 ZINC000087473086 640898330 /nfs/dbraw/zinc/89/83/30/640898330.db2.gz BZMVQFIQWRHESU-NSHDSACASA-N 1 0 223.341 2.377 20 10 BECDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000229964504 640998679 /nfs/dbraw/zinc/99/86/79/640998679.db2.gz XMKBIQPBYDDCBZ-WDEREUQCSA-N 1 0 223.316 2.122 20 10 BECDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(F)ccc1O ZINC000230392237 641049088 /nfs/dbraw/zinc/04/90/88/641049088.db2.gz HKJGKNWXENXBML-ZANVPECISA-N 1 0 239.290 2.188 20 10 BECDRO Cc1cccc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1O ZINC000230392191 641049608 /nfs/dbraw/zinc/04/96/08/641049608.db2.gz OTLCRYHXJPKOEH-BXUZGUMPSA-N 1 0 235.327 2.358 20 10 BECDRO c1cc(C[NH2+][C@H]2CCSC2)cc2c1OCC2 ZINC000230704083 641084880 /nfs/dbraw/zinc/08/48/80/641084880.db2.gz XNCAQCYFPTVOPK-LBPRGKRZSA-N 1 0 235.352 2.217 20 10 BECDRO COc1cc(C[N@H+](C)C2CC2)c(O)cc1C ZINC000159773470 641699186 /nfs/dbraw/zinc/69/91/86/641699186.db2.gz YKGOEATWYHCBHU-UHFFFAOYSA-N 1 0 221.300 2.303 20 10 BECDRO COC[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000754740953 641816050 /nfs/dbraw/zinc/81/60/50/641816050.db2.gz KACMZVQGIBQHOK-CYBMUJFWSA-N 1 0 249.354 2.477 20 10 BECDRO C[N@H+](Cc1ccnc(N)c1)Cc1ccccc1O ZINC000191571794 641930342 /nfs/dbraw/zinc/93/03/42/641930342.db2.gz LPHFIGNAESZABG-UHFFFAOYSA-N 1 0 243.310 2.001 20 10 BECDRO COC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921470367 642622366 /nfs/dbraw/zinc/62/23/66/642622366.db2.gz BGTRLMGQWABJFV-NSHDSACASA-N 1 0 235.327 2.136 20 10 BECDRO CCOCC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000179879435 642752335 /nfs/dbraw/zinc/75/23/35/642752335.db2.gz MQZRJLQVYQCJNR-UHFFFAOYSA-N 1 0 249.354 2.349 20 10 BECDRO C[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CCCO1 ZINC000180840527 642818587 /nfs/dbraw/zinc/81/85/87/642818587.db2.gz ULPYRLRBLIIOTK-ZDUSSCGKSA-N 1 0 239.290 2.190 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2CN)c1 ZINC000070175263 642987570 /nfs/dbraw/zinc/98/75/70/642987570.db2.gz QGVBZLYWLAAQBM-JSGCOSHPSA-N 1 0 248.370 2.260 20 10 BECDRO CSCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000070184914 642992688 /nfs/dbraw/zinc/99/26/88/642992688.db2.gz WILMSYVMXYXCTK-UHFFFAOYSA-N 1 0 223.341 2.074 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000253358179 643208662 /nfs/dbraw/zinc/20/86/62/643208662.db2.gz MFVBBFJZHCPSBN-STQMWFEESA-N 1 0 248.370 2.362 20 10 BECDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccccc2O)O1 ZINC000184768865 643236210 /nfs/dbraw/zinc/23/62/10/643236210.db2.gz DLIHTLMKPBJJSA-LBPRGKRZSA-N 1 0 235.327 2.439 20 10 BECDRO c1cc2c(cc1C[NH2+]C[C@H]1CCOC1)CCCO2 ZINC000921526439 643583257 /nfs/dbraw/zinc/58/32/57/643583257.db2.gz DNAUYRDNWBCFOL-CYBMUJFWSA-N 1 0 247.338 2.138 20 10 BECDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921947758 643831820 /nfs/dbraw/zinc/83/18/20/643831820.db2.gz XMFBXALLLRFPDK-NSHDSACASA-N 1 0 249.354 2.261 20 10 BECDRO CO[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922039546 643852112 /nfs/dbraw/zinc/85/21/12/643852112.db2.gz PSFMKFFAVKCQEF-NSHDSACASA-N 1 0 235.327 2.136 20 10 BECDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922637811 644045426 /nfs/dbraw/zinc/04/54/26/644045426.db2.gz BULFEHFURLLUNC-SMDDNHRTSA-N 1 0 247.338 2.136 20 10 BECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000192597112 644167552 /nfs/dbraw/zinc/16/75/52/644167552.db2.gz BPIPLCXUXVQTQK-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC2)c(O)c1 ZINC000087783677 644503450 /nfs/dbraw/zinc/50/34/50/644503450.db2.gz NBJRXGYVCXZMRS-MNOVXSKESA-N 1 0 221.300 2.140 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C[C@H](C)O)C(C)C)c1 ZINC000093145246 644679532 /nfs/dbraw/zinc/67/95/32/644679532.db2.gz HRCVZMPNUGZBKF-LBPRGKRZSA-N 1 0 237.343 2.292 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C[C@@H](C)O)C(C)C)c1 ZINC000093145243 644679947 /nfs/dbraw/zinc/67/99/47/644679947.db2.gz HRCVZMPNUGZBKF-GFCCVEGCSA-N 1 0 237.343 2.292 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@]2(C)CCCO2)c1 ZINC000094798254 644728208 /nfs/dbraw/zinc/72/82/08/644728208.db2.gz QFHIRCBBVISRAX-AWEZNQCLSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(C)CCCO2)c1 ZINC000094798255 644729683 /nfs/dbraw/zinc/72/96/83/644729683.db2.gz QFHIRCBBVISRAX-CQSZACIVSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H](C)C[C@H](C)O)cc1C ZINC000782979047 644749705 /nfs/dbraw/zinc/74/97/05/644749705.db2.gz NIGLQCUOQQYPRG-NEPJUHHUSA-N 1 0 237.343 2.258 20 10 BECDRO C[N@@H+](Cc1ccccc1O)Cc1cccnc1N ZINC000809575486 644892739 /nfs/dbraw/zinc/89/27/39/644892739.db2.gz FYOZNXLVYCGEMN-UHFFFAOYSA-N 1 0 243.310 2.001 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2CCCC[NH2+]C2)c(O)c1 ZINC000817983390 644994454 /nfs/dbraw/zinc/99/44/54/644994454.db2.gz BPKGYUAYEBCMFE-QWHCGFSZSA-N 1 0 248.370 2.493 20 10 BECDRO COc1ccc2c(c1)CCN2CC1CC[NH2+]CC1 ZINC000823590752 645046287 /nfs/dbraw/zinc/04/62/87/645046287.db2.gz GSNWAQSIBGMTAT-UHFFFAOYSA-N 1 0 246.354 2.057 20 10 BECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(C)c1O ZINC000824636280 645057337 /nfs/dbraw/zinc/05/73/37/645057337.db2.gz NWJLSJGFHXKKBI-KBPBESRZSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@H](O)C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835047251 645163941 /nfs/dbraw/zinc/16/39/41/645163941.db2.gz DQIYCDNMHYPUFV-GFUIURDCSA-N 1 0 248.370 2.078 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1COC[C@@H]1C ZINC000925077559 646178648 /nfs/dbraw/zinc/17/86/48/646178648.db2.gz BLXRWXRWYKYCHH-SWLSCSKDSA-N 1 0 248.370 2.186 20 10 BECDRO COc1ccc(C[NH2+]CCOCCF)cc1C ZINC000702638228 712057983 /nfs/dbraw/zinc/05/79/83/712057983.db2.gz LAIWICGSCYIYNO-UHFFFAOYSA-N 1 0 241.306 2.079 20 10 BECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CSC2)c1 ZINC000706493527 712147221 /nfs/dbraw/zinc/14/72/21/712147221.db2.gz HPNRUJPEQFRHIP-MRVPVSSYSA-N 1 0 239.340 2.167 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H](C)OC)c1O ZINC000709399290 712220790 /nfs/dbraw/zinc/22/07/90/712220790.db2.gz FAXHNTABFODZTF-JTQLQIEISA-N 1 0 223.316 2.079 20 10 BECDRO COc1ccc(O)c(C[NH2+][C@@H]2CC23CC3)c1 ZINC000715321280 712521107 /nfs/dbraw/zinc/52/11/07/712521107.db2.gz QCUYNDFOGCQDEL-GFCCVEGCSA-N 1 0 219.284 2.043 20 10 BECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccccc1O ZINC000716955665 712599938 /nfs/dbraw/zinc/59/99/38/712599938.db2.gz QVKDUJYLKNGQHN-CMPLNLGQSA-N 1 0 223.316 2.031 20 10 BECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)O)c1O ZINC000381566120 710657408 /nfs/dbraw/zinc/65/74/08/710657408.db2.gz ULKAHHXZIBFAPY-IUCAKERBSA-N 1 0 243.734 2.385 20 10 BECDRO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000386996375 711038990 /nfs/dbraw/zinc/03/89/90/711038990.db2.gz LCZXHFWLDZWRDX-SDDRHHMPSA-N 1 0 236.359 2.173 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](C)O ZINC000386945755 711039384 /nfs/dbraw/zinc/03/93/84/711039384.db2.gz WNWXRDPQXKLVDF-AUTRQRHGSA-N 1 0 241.306 2.341 20 10 BECDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CCCOC1 ZINC000388523724 711062373 /nfs/dbraw/zinc/06/23/73/711062373.db2.gz XTJUUJWRIZMWCT-WCQYABFASA-N 1 0 235.327 2.297 20 10 BECDRO CCCN1CC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000389435593 711078161 /nfs/dbraw/zinc/07/81/61/711078161.db2.gz ZVRKWOPYRQVTNU-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO CCC1(C[NH2+]Cc2cc(C)ccc2O)COC1 ZINC000393989008 711181636 /nfs/dbraw/zinc/18/16/36/711181636.db2.gz NEVFXEACRMIHSW-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cnn(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC000394072229 711183943 /nfs/dbraw/zinc/18/39/43/711183943.db2.gz TYYRAYNLMDHCCM-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2COC(C)(C)C2)c1O ZINC000396535840 711353051 /nfs/dbraw/zinc/35/30/51/711353051.db2.gz LOOKGPQAIGLJII-GFCCVEGCSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(C[N@H+]2CCCOC[C@H]2C)c1O ZINC000398959994 711417508 /nfs/dbraw/zinc/41/75/08/711417508.db2.gz YFFNNMCBPFVHIC-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO COC[C@@H](C[NH2+]Cc1ccccc1O)C(C)C ZINC000721985906 710696397 /nfs/dbraw/zinc/69/63/97/710696397.db2.gz LSAUQBYSDKGOEN-CYBMUJFWSA-N 1 0 237.343 2.400 20 10 BECDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000397833673 711392640 /nfs/dbraw/zinc/39/26/40/711392640.db2.gz NUGQSQTXMKQAOP-MFKMUULPSA-N 1 0 249.379 2.463 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@H](C)O1 ZINC000385120442 711665293 /nfs/dbraw/zinc/66/52/93/711665293.db2.gz KASZETQPVKYOTK-VDDIYKPWSA-N 1 0 239.290 2.187 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@H](C)O1 ZINC000385120441 711665300 /nfs/dbraw/zinc/66/53/00/711665300.db2.gz KASZETQPVKYOTK-PTRXPTGYSA-N 1 0 239.290 2.187 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)c2nccn21 ZINC000393318288 711675940 /nfs/dbraw/zinc/67/59/40/711675940.db2.gz CYAVOGIXFNBFCP-ZYHUDNBSSA-N 1 0 243.310 2.384 20 10 BECDRO Cc1cccc(C[NH2+]CC2=CCOCC2)c1O ZINC000397730255 711707174 /nfs/dbraw/zinc/70/71/74/711707174.db2.gz PSMJYNJMISFHHY-UHFFFAOYSA-N 1 0 233.311 2.137 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(C)(C)O ZINC000393971764 711758999 /nfs/dbraw/zinc/75/89/99/711758999.db2.gz OAQGMEQHSHBUDO-MWLCHTKSSA-N 1 0 235.327 2.129 20 10 BECDRO [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000925879568 711761901 /nfs/dbraw/zinc/76/19/01/711761901.db2.gz IAYZZKQHDZPCJY-CYZMBNFOSA-N 1 0 246.354 2.097 20 10 BECDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921987348 711951807 /nfs/dbraw/zinc/95/18/07/711951807.db2.gz YHKAXWOKVGANCB-NEPJUHHUSA-N 1 0 249.354 2.261 20 10 BECDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921987349 711952233 /nfs/dbraw/zinc/95/22/33/711952233.db2.gz YHKAXWOKVGANCB-NWDGAFQWSA-N 1 0 249.354 2.261 20 10 BECDRO CC1CC(C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000700832754 712007593 /nfs/dbraw/zinc/00/75/93/712007593.db2.gz UMGWOFKRJVTXGB-UHFFFAOYSA-N 1 0 249.310 2.257 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000701075213 712013709 /nfs/dbraw/zinc/01/37/09/712013709.db2.gz NHHIBDMJAQNISH-DZGCQCFKSA-N 1 0 247.338 2.358 20 10 BECDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2O)O1 ZINC000701511521 712024753 /nfs/dbraw/zinc/02/47/53/712024753.db2.gz JVRPZALHVGXULD-AAEUAGOBSA-N 1 0 235.327 2.439 20 10 BECDRO CC[NH2+]Cc1c(O)cccc1Br ZINC000706804571 712156680 /nfs/dbraw/zinc/15/66/80/712156680.db2.gz JKTILDURUZLXCV-UHFFFAOYSA-N 1 0 230.105 2.264 20 10 BECDRO CCc1cccc(C[NH2+]CC2(N(C)C)CC2)c1O ZINC000709491944 712222941 /nfs/dbraw/zinc/22/29/41/712222941.db2.gz MGGRKZIKTJPVSB-UHFFFAOYSA-N 1 0 248.370 2.138 20 10 BECDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccccc1O ZINC000710185115 712247681 /nfs/dbraw/zinc/24/76/81/712247681.db2.gz OJPVBZUUCAWHRK-QWRGUYRKSA-N 1 0 235.327 2.204 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711657566 712315076 /nfs/dbraw/zinc/31/50/76/712315076.db2.gz XBSGABBOKFMZGO-LLVKDONJSA-N 1 0 203.285 2.448 20 10 BECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOC1CC1 ZINC000711776684 712328118 /nfs/dbraw/zinc/32/81/18/712328118.db2.gz MBTCKWMRCDBDNI-UHFFFAOYSA-N 1 0 246.354 2.077 20 10 BECDRO COc1cccc(C[NH2+]CC[C@H](C)F)c1O ZINC000378662026 712356236 /nfs/dbraw/zinc/35/62/36/712356236.db2.gz CECICSVCCXUNSJ-VIFPVBQESA-N 1 0 227.279 2.239 20 10 BECDRO Oc1cccc(Cl)c1C[NH2+]C1CSC1 ZINC000701984908 712356566 /nfs/dbraw/zinc/35/65/66/712356566.db2.gz ZVXVGLDXDYDMAI-UHFFFAOYSA-N 1 0 229.732 2.251 20 10 BECDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1cc(F)ccc1O ZINC000379589849 712389644 /nfs/dbraw/zinc/38/96/44/712389644.db2.gz SDPJSRFOHXJCIN-VIFPVBQESA-N 1 0 249.289 2.148 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccccc1O ZINC000712586929 712434599 /nfs/dbraw/zinc/43/45/99/712434599.db2.gz PQDPYUACBDYVPF-WCQYABFASA-N 1 0 234.343 2.137 20 10 BECDRO CN1CC[N@H+](Cc2ccccc2O)CCC1(C)C ZINC000712664208 712439946 /nfs/dbraw/zinc/43/99/46/712439946.db2.gz RBOZHGSZDLUWLP-UHFFFAOYSA-N 1 0 248.370 2.308 20 10 BECDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000714720528 712496168 /nfs/dbraw/zinc/49/61/68/712496168.db2.gz ACKBQVNKQBKJDT-CTYIDZIISA-N 1 0 248.370 2.267 20 10 BECDRO C[C@H]([NH2+]CCOC1CC1)c1ccccc1O ZINC000714976116 712503062 /nfs/dbraw/zinc/50/30/62/712503062.db2.gz UHNNVWUOXYALAD-JTQLQIEISA-N 1 0 221.300 2.222 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000036996576 712528580 /nfs/dbraw/zinc/52/85/80/712528580.db2.gz AWHVUWOKNHGRFW-ZIAGYGMSSA-N 1 0 246.354 2.109 20 10 BECDRO Cc1n[nH]c(C[NH2+]Cc2cc(C)ccc2O)c1C ZINC000716438153 712560524 /nfs/dbraw/zinc/56/05/24/712560524.db2.gz BOOJHIQCXZQFSR-UHFFFAOYSA-N 1 0 245.326 2.330 20 10 BECDRO Cc1cn[nH]c1C[NH2+]Cc1cc(C)ccc1O ZINC000716480864 712565405 /nfs/dbraw/zinc/56/54/05/712565405.db2.gz BRLWHQMVRSUOGC-UHFFFAOYSA-N 1 0 231.299 2.022 20 10 BECDRO COc1ccc(O)c(C[N@H+](C)CCCF)c1 ZINC000716630138 712568236 /nfs/dbraw/zinc/56/82/36/712568236.db2.gz RATIXCLBMHPHFC-UHFFFAOYSA-N 1 0 227.279 2.192 20 10 BECDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccccc1O ZINC000379897856 712621843 /nfs/dbraw/zinc/62/18/43/712621843.db2.gz HJIDGGQIBDQXAC-ONGXEEELSA-N 1 0 223.341 2.233 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)CCCCCO ZINC000877484652 712631213 /nfs/dbraw/zinc/63/12/13/712631213.db2.gz FFRJMPKGRLJSKK-UHFFFAOYSA-N 1 0 237.343 2.295 20 10 BECDRO COc1ccc(C[NH2+][C@H](CO)C2CCC2)cc1C ZINC000717615726 712662408 /nfs/dbraw/zinc/66/24/08/712662408.db2.gz JWTKTUAOCSZJQC-CQSZACIVSA-N 1 0 249.354 2.254 20 10 BECDRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccccc1O ZINC000717825466 712682075 /nfs/dbraw/zinc/68/20/75/712682075.db2.gz PJDLZUCABYPQNO-BDAKNGLRSA-N 1 0 245.269 2.059 20 10 BECDRO COc1ncccc1C[NH2+]Cc1ccccc1O ZINC000037650489 712734080 /nfs/dbraw/zinc/73/40/80/712734080.db2.gz RXJUPCMGRDOJQP-UHFFFAOYSA-N 1 0 244.294 2.086 20 10 BECDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000694362183 959840763 /nfs/dbraw/zinc/84/07/63/959840763.db2.gz MXOPRVCEZSXXRC-CKLFPEKLSA-N 1 0 239.290 2.359 20 10 BECDRO Oc1ccccc1C[NH2+]CC1SCCS1 ZINC000692888217 961179908 /nfs/dbraw/zinc/17/99/08/961179908.db2.gz IYXFUQPQHUSRTJ-UHFFFAOYSA-N 1 0 241.381 2.288 20 10 BECDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N)cc1 ZINC000036797832 1165878316 /nfs/dbraw/zinc/87/83/16/1165878316.db2.gz PVIAWRHNSGFBCG-FZMZJTMJSA-N 1 0 234.343 2.268 20 10 BECDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(O)c(O)c1 ZINC000069664100 1165903242 /nfs/dbraw/zinc/90/32/42/1165903242.db2.gz IQIIXXJRACOXMZ-VIFPVBQESA-N 1 0 221.300 2.376 20 10 BECDRO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(O)c1 ZINC000133007492 1166159151 /nfs/dbraw/zinc/15/91/51/1166159151.db2.gz ZDKPBXRNBDIASB-CMPLNLGQSA-N 1 0 233.311 2.385 20 10 BECDRO CCCCC[C@H](O)C[NH2+]Cc1ccccc1O ZINC001253549196 969222243 /nfs/dbraw/zinc/22/22/43/969222243.db2.gz OJGPHDYJJJNQAR-ZDUSSCGKSA-N 1 0 237.343 2.423 20 10 BECDRO Nc1ccc(CO[C@H]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001217804364 1166463392 /nfs/dbraw/zinc/46/33/92/1166463392.db2.gz XDBJJOGIWDNKOB-LSDHHAIUSA-N 1 0 246.354 2.318 20 10 BECDRO Nc1ccc(CO[C@H]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001217804362 1166464259 /nfs/dbraw/zinc/46/42/59/1166464259.db2.gz XDBJJOGIWDNKOB-GJZGRUSLSA-N 1 0 246.354 2.318 20 10 BECDRO Cc1ccncc1C[NH2+]Cc1ccccc1O ZINC000158701858 1166516931 /nfs/dbraw/zinc/51/69/31/1166516931.db2.gz REGPGFRRLIOTOM-UHFFFAOYSA-N 1 0 228.295 2.385 20 10 BECDRO CC(C)(CF)[NH2+]Cc1cc(F)ccc1O ZINC000309004962 1167236665 /nfs/dbraw/zinc/23/66/65/1167236665.db2.gz PKDJCPGWDCIORQ-UHFFFAOYSA-N 1 0 215.243 2.369 20 10 BECDRO C[N@@H+](Cc1ccc(N)cc1)C[C@H]1CCCC[C@@H]1O ZINC000385577958 1167394381 /nfs/dbraw/zinc/39/43/81/1167394381.db2.gz FDAFYLHNPBLLBK-HIFRSBDPSA-N 1 0 248.370 2.252 20 10 BECDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710999644 1168400102 /nfs/dbraw/zinc/40/01/02/1168400102.db2.gz NBXWWLFTMUFHLR-GXTWGEPZSA-N 1 0 247.338 2.136 20 10 BECDRO COc1cccc(C[N@@H+]2CC[C@H](CF)C2)c1O ZINC000711489689 1168409225 /nfs/dbraw/zinc/40/92/25/1168409225.db2.gz KUCQVFVGQRBIBO-SNVBAGLBSA-N 1 0 239.290 2.192 20 10 BECDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001182442004 1168741161 /nfs/dbraw/zinc/74/11/61/1168741161.db2.gz FERMMYWVIKKETN-KLPPZKSPSA-N 1 0 241.718 2.049 20 10 BECDRO COCC[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000383832781 1169251960 /nfs/dbraw/zinc/25/19/60/1169251960.db2.gz JDOWTWAVYNOUEW-JQWIXIFHSA-N 1 0 235.327 2.394 20 10 BECDRO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1C ZINC000405718490 971296152 /nfs/dbraw/zinc/29/61/52/971296152.db2.gz CYJJWFTWYSBZIX-UHIISALHSA-N 1 0 247.338 2.135 20 10 BECDRO CCN1CCc2cc(O[C@@H]3C[NH2+]C[C@H]3C)ccc21 ZINC001218036077 971579888 /nfs/dbraw/zinc/57/98/88/971579888.db2.gz NMRIRPACXVUIER-IAQYHMDHSA-N 1 0 246.354 2.056 20 10 BECDRO Nc1ccc(OC2CC3(C2)CCC[NH2+]C3)cc1 ZINC001218251621 971651630 /nfs/dbraw/zinc/65/16/30/971651630.db2.gz DOYNAMCQYNIOHP-UHFFFAOYSA-N 1 0 232.327 2.180 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCOCC1 ZINC001170831629 971950468 /nfs/dbraw/zinc/95/04/68/971950468.db2.gz QWVLOCLXRGMQPN-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO Cn1ccc2ncc(C3=CCC[N@H+](C)C3)cc21 ZINC001241571412 1169733526 /nfs/dbraw/zinc/73/35/26/1169733526.db2.gz YNZVISLCDYASTF-UHFFFAOYSA-N 1 0 227.311 2.292 20 10 BECDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(F)ccc1O ZINC000402134045 957056611 /nfs/dbraw/zinc/05/66/11/957056611.db2.gz IBSXDOKOMGCSLT-FXPVBKGRSA-N 1 0 239.290 2.359 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1 ZINC000316151655 972263154 /nfs/dbraw/zinc/26/31/54/972263154.db2.gz JTYLDPRHXLRCNF-OAHLLOKOSA-N 1 0 248.370 2.003 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CC[C@H](O)C[C@H]2C)c1O ZINC001140182534 957722067 /nfs/dbraw/zinc/72/20/67/957722067.db2.gz UQOJDHDFWOBJSN-OLZOCXBDSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c1O ZINC001140182535 957723241 /nfs/dbraw/zinc/72/32/41/957723241.db2.gz UQOJDHDFWOBJSN-QWHCGFSZSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](C)O ZINC000227121652 958711795 /nfs/dbraw/zinc/71/17/95/958711795.db2.gz IBTYYXHVEPNRAW-VWYCJHECSA-N 1 0 235.327 2.219 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c1 ZINC001140617162 960461508 /nfs/dbraw/zinc/46/15/08/960461508.db2.gz HWINGZXDDLXFEV-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001140617451 960462756 /nfs/dbraw/zinc/46/27/56/960462756.db2.gz 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ZINC000696129657 987341630 /nfs/dbraw/zinc/34/16/30/987341630.db2.gz BZERZOXJZYFNQO-CMPLNLGQSA-N 1 0 247.338 2.130 20 10 BECDRO CC[N@H+](CCO)Cc1cc(C(C)C)ccc1O ZINC001474404665 987715050 /nfs/dbraw/zinc/71/50/50/987715050.db2.gz QEDWLXLZELQMMD-UHFFFAOYSA-N 1 0 237.343 2.330 20 10 BECDRO C[NH2+][C@H](C)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC001325318963 989158514 /nfs/dbraw/zinc/15/85/14/989158514.db2.gz ICLOONQUBOFETC-SECBINFHSA-N 1 0 242.750 2.133 20 10 BECDRO CC[C@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1[O-] ZINC001326474094 989574819 /nfs/dbraw/zinc/57/48/19/989574819.db2.gz RXQSGIKKUBJWIM-LBPRGKRZSA-N 1 0 240.322 2.311 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc(N)cc1)[C@@H]1CCCO1 ZINC001120269593 989621948 /nfs/dbraw/zinc/62/19/48/989621948.db2.gz VAKWLZITFYGZHD-KGLIPLIRSA-N 1 0 234.343 2.316 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C)O ZINC000035601681 991224879 /nfs/dbraw/zinc/22/48/79/991224879.db2.gz IBTYYXHVEPNRAW-GMTAPVOTSA-N 1 0 235.327 2.219 20 10 BECDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(F)ccc1O ZINC001140058163 991507474 /nfs/dbraw/zinc/50/74/74/991507474.db2.gz TVKWNWJISREIJB-KCJUWKMLSA-N 1 0 227.254 2.464 20 10 BECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC001560666554 991542048 /nfs/dbraw/zinc/54/20/48/991542048.db2.gz HCVWCPVGHIVUHF-LBPRGKRZSA-N 1 0 249.354 2.330 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC001140178816 991550271 /nfs/dbraw/zinc/55/02/71/991550271.db2.gz YFZAWSXUKJJCTJ-ZDUSSCGKSA-N 1 0 249.354 2.356 20 10 BECDRO CCOC1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178361 991551108 /nfs/dbraw/zinc/55/11/08/991551108.db2.gz JLKOKTRHGDCNHC-UHFFFAOYSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC001140178750 991552736 /nfs/dbraw/zinc/55/27/36/991552736.db2.gz WNVPYTMXXWNGCW-OCCSQVGLSA-N 1 0 249.354 2.212 20 10 BECDRO COC[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178686 991553656 /nfs/dbraw/zinc/55/36/56/991553656.db2.gz UQXGWTFLPANICG-ZDUSSCGKSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1ccc(C)c(C[N@H+](C)CC2COC2)c1O ZINC001140182097 991555824 /nfs/dbraw/zinc/55/58/24/991555824.db2.gz ISAQGKFBLXRUOY-UHFFFAOYSA-N 1 0 235.327 2.087 20 10 BECDRO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCOC2)c1O ZINC001140182244 991557173 /nfs/dbraw/zinc/55/71/73/991557173.db2.gz MGGHKLSXVOAHDB-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO CC[N@H+](Cc1c(C)ccc(C)c1O)C1COC1 ZINC001140182758 991557488 /nfs/dbraw/zinc/55/74/88/991557488.db2.gz ZDGNFHNRCCZMJB-UHFFFAOYSA-N 1 0 235.327 2.230 20 10 BECDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(O)cccc1Cl ZINC001140337774 991609829 /nfs/dbraw/zinc/60/98/29/991609829.db2.gz DOKJTGLTZGVYIZ-BDAKNGLRSA-N 1 0 241.718 2.001 20 10 BECDRO Oc1cccc(Cl)c1C[NH+]1CC=CC1 ZINC001140337813 991611579 /nfs/dbraw/zinc/61/15/79/991611579.db2.gz GSHCQEVGOODIBY-UHFFFAOYSA-N 1 0 209.676 2.417 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)c1O ZINC001560811561 991612082 /nfs/dbraw/zinc/61/20/82/991612082.db2.gz PENYBKZLBABDDT-FZMZJTMJSA-N 1 0 249.354 2.157 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462938 991644087 /nfs/dbraw/zinc/64/40/87/991644087.db2.gz OSQCQUKVDPFGCA-LLVKDONJSA-N 1 0 241.718 2.266 20 10 BECDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001140462225 991644394 /nfs/dbraw/zinc/64/43/94/991644394.db2.gz AUMZKTMXYJFOOQ-AOOOYVTPSA-N 1 0 223.703 2.497 20 10 BECDRO C[NH2+]CCN[C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001261423622 992293980 /nfs/dbraw/zinc/29/39/80/992293980.db2.gz ANCZGBTVCGCZLO-QWRGUYRKSA-N 1 0 234.343 2.058 20 10 BECDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc(N)cc1 ZINC001576495170 993323084 /nfs/dbraw/zinc/32/30/84/993323084.db2.gz NKFVJWCFUWZDIN-NSHDSACASA-N 1 0 222.357 2.252 20 10 BECDRO CCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000389563227 993754279 /nfs/dbraw/zinc/75/42/79/993754279.db2.gz URIZCOIMBHJRHI-VXGBXAGGSA-N 1 0 234.343 2.137 20 10 BECDRO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000389563225 993756669 /nfs/dbraw/zinc/75/66/69/993756669.db2.gz URIZCOIMBHJRHI-NWDGAFQWSA-N 1 0 234.343 2.137 20 10 BECDRO Nc1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC001337837774 995223000 /nfs/dbraw/zinc/22/30/00/995223000.db2.gz FIAXZCDQBCKHCW-ZDUSSCGKSA-N 1 0 242.326 2.090 20 10 BECDRO CC(C)c1ccc(O)c(C[NH+]2CCN(C)CC2)c1 ZINC001621113095 1170719090 /nfs/dbraw/zinc/71/90/90/1170719090.db2.gz VROOPJWNZPVVSQ-UHFFFAOYSA-N 1 0 248.370 2.263 20 10 BECDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N)cc1 ZINC000036797828 1170914152 /nfs/dbraw/zinc/91/41/52/1170914152.db2.gz PVIAWRHNSGFBCG-RISCZKNCSA-N 1 0 234.343 2.268 20 10 BECDRO CC(C)(CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037239058 1170936501 /nfs/dbraw/zinc/93/65/01/1170936501.db2.gz ZIVRSRXCWUTBRV-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO CCOCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037269124 1170937793 /nfs/dbraw/zinc/93/77/93/1170937793.db2.gz RJNOECRHFYSFPF-UHFFFAOYSA-N 1 0 248.370 2.413 20 10 BECDRO C[C@@H](Cc1ccco1)[NH2+]Cc1cccc(O)c1O ZINC000041117114 1171169380 /nfs/dbraw/zinc/16/93/80/1171169380.db2.gz JZCGIVCMWQGZGS-JTQLQIEISA-N 1 0 247.294 2.412 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccnn2C)c1 ZINC000071333339 398147115 /nfs/dbraw/zinc/14/71/15/398147115.db2.gz SMEXWRBBZKYNLY-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnn2C)c1 ZINC000071333337 398147136 /nfs/dbraw/zinc/14/71/36/398147136.db2.gz SMEXWRBBZKYNLY-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)on1 ZINC000297608260 178035059 /nfs/dbraw/zinc/03/50/59/178035059.db2.gz IIQVPRIBMVVFES-GFCCVEGCSA-N 1 0 244.294 2.466 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)CO)cc1 ZINC000247112741 398173432 /nfs/dbraw/zinc/17/34/32/398173432.db2.gz PFVWMRSCJRAECM-VXGBXAGGSA-N 1 0 236.359 2.174 20 10 BECDRO C[C@@H]([NH2+]CCC(C)(C)O)c1cc(F)ccc1O ZINC000274775950 398164661 /nfs/dbraw/zinc/16/46/61/398164661.db2.gz JCVQZDGAPSVUPV-SECBINFHSA-N 1 0 241.306 2.343 20 10 BECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](O)CC2)cc1C ZINC000293993754 178195295 /nfs/dbraw/zinc/19/52/95/178195295.db2.gz LVJXPPLDLLPUJE-AWEZNQCLSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000369816316 178196691 /nfs/dbraw/zinc/19/66/91/178196691.db2.gz QZOSHFRBLBDLOG-OKILXGFUSA-N 1 0 247.338 2.372 20 10 BECDRO Cc1cc(O)c(C[NH2+]C(C)(C)[C@@H](C)O)cc1C ZINC000270623540 178196809 /nfs/dbraw/zinc/19/68/09/178196809.db2.gz CUTACXNTDNKIFA-LLVKDONJSA-N 1 0 237.343 2.258 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCCCCO)cc1C ZINC000192902936 178197485 /nfs/dbraw/zinc/19/74/85/178197485.db2.gz LDEJTPNEIFBJJB-UHFFFAOYSA-N 1 0 237.343 2.261 20 10 BECDRO Cc1cc(O)c(C[NH2+]CCC(C)(C)O)cc1C ZINC000274761321 178197571 /nfs/dbraw/zinc/19/75/71/178197571.db2.gz OZRLLCRGQMEMNU-UHFFFAOYSA-N 1 0 237.343 2.260 20 10 BECDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)N(C)C ZINC000083552439 398284038 /nfs/dbraw/zinc/28/40/38/398284038.db2.gz YYYAZDIRHOOINU-SECBINFHSA-N 1 0 242.750 2.085 20 10 BECDRO CC[C@H]([NH2+]CCOC)c1ccccc1O ZINC000019881620 342960678 /nfs/dbraw/zinc/96/06/78/342960678.db2.gz HXJDBLFXBQBNQE-NSHDSACASA-N 1 0 209.289 2.079 20 10 BECDRO CC[C@H](CO)[NH2+][C@@H](CC)c1ccccc1O ZINC000020195455 342976144 /nfs/dbraw/zinc/97/61/44/342976144.db2.gz FYWKMVXDQYQHBO-PWSUYJOCSA-N 1 0 223.316 2.204 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C)cc1C ZINC000038087393 343369953 /nfs/dbraw/zinc/36/99/53/343369953.db2.gz MHCNJYWWXDRUKP-GFCCVEGCSA-N 1 0 236.359 2.043 20 10 BECDRO CC[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccc1O ZINC000041158727 343415850 /nfs/dbraw/zinc/41/58/50/343415850.db2.gz MBCQPMRHAIUJFL-CYBMUJFWSA-N 1 0 245.326 2.367 20 10 BECDRO COC[C@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000045656693 343532526 /nfs/dbraw/zinc/53/25/26/343532526.db2.gz ZUVUJQUUNBMKSA-GHMZBOCLSA-N 1 0 223.316 2.325 20 10 BECDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976155 343958363 /nfs/dbraw/zinc/95/83/63/343958363.db2.gz ZITDVRLBVWVRQX-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C[C@@H](C)O ZINC000035601682 178805024 /nfs/dbraw/zinc/80/50/24/178805024.db2.gz IBTYYXHVEPNRAW-HBNTYKKESA-N 1 0 235.327 2.219 20 10 BECDRO CC[C@@H]([NH2+][C@@H](C)CO)c1ccc(N(C)C)cc1 ZINC000127576723 345201238 /nfs/dbraw/zinc/20/12/38/345201238.db2.gz VDGLQRFRIKJKFL-SMDDNHRTSA-N 1 0 236.359 2.174 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCC[C@@H]1O ZINC000089912285 345565393 /nfs/dbraw/zinc/56/53/93/345565393.db2.gz LCQSRMMAEFABKW-JSGCOSHPSA-N 1 0 235.327 2.128 20 10 BECDRO Cc1cccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1O ZINC000271870944 179066524 /nfs/dbraw/zinc/06/65/24/179066524.db2.gz SDKMYWDNMIWTEE-JSGCOSHPSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c1O ZINC000271870947 179067664 /nfs/dbraw/zinc/06/76/64/179067664.db2.gz SDKMYWDNMIWTEE-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1O ZINC000180256943 179079252 /nfs/dbraw/zinc/07/92/52/179079252.db2.gz ZHPJIPUILDOJGO-NWDGAFQWSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000124605764 179084806 /nfs/dbraw/zinc/08/48/06/179084806.db2.gz UDDCPEOMCIKYMF-BETUJISGSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1cccc(C[NH2+]CCOCC(F)F)c1O ZINC000189001844 179091776 /nfs/dbraw/zinc/09/17/76/179091776.db2.gz GOMMTJIBYZFGEV-UHFFFAOYSA-N 1 0 245.269 2.072 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1O ZINC000277321576 179098914 /nfs/dbraw/zinc/09/89/14/179098914.db2.gz CCTNLAPLZLNPTK-WCQYABFASA-N 1 0 235.327 2.215 20 10 BECDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccccc2O)C1 ZINC000368225657 187384908 /nfs/dbraw/zinc/38/49/08/187384908.db2.gz LWZLJCBYXPTLDE-HNNXBMFYSA-N 1 0 249.354 2.233 20 10 BECDRO Cc1cccnc1CC[NH2+]Cc1ccccc1O ZINC000295028049 179369765 /nfs/dbraw/zinc/36/97/65/179369765.db2.gz NQAGAALHGFBJJR-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO Cc1n[nH]cc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296636153 188096422 /nfs/dbraw/zinc/09/64/22/188096422.db2.gz COEMIMNPEYINOM-GFCCVEGCSA-N 1 0 243.310 2.201 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000071408213 188130977 /nfs/dbraw/zinc/13/09/77/188130977.db2.gz YFUMCDOKHVIVRR-GFCCVEGCSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617743 188145776 /nfs/dbraw/zinc/14/57/76/188145776.db2.gz LXBJPEZPCMEHML-VIFPVBQESA-N 1 0 249.289 2.414 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1O ZINC000183448375 188168903 /nfs/dbraw/zinc/16/89/03/188168903.db2.gz ZZSJETRYQCZQGR-VXGBXAGGSA-N 1 0 234.343 2.137 20 10 BECDRO C[C@@H](CO)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230159315 353469631 /nfs/dbraw/zinc/46/96/31/353469631.db2.gz ZWEUMWJRKUHRPZ-GFCCVEGCSA-N 1 0 249.354 2.120 20 10 BECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000191694410 355834219 /nfs/dbraw/zinc/83/42/19/355834219.db2.gz IBEWCEKGYSAFAS-WDEREUQCSA-N 1 0 223.316 2.214 20 10 BECDRO C[C@@H]([NH2+]CCCCO)c1cc(Cl)ccc1O ZINC000194216807 357271302 /nfs/dbraw/zinc/27/13/02/357271302.db2.gz DRZYLBDQBKHVIM-SECBINFHSA-N 1 0 243.734 2.469 20 10 BECDRO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296587157 364784820 /nfs/dbraw/zinc/78/48/20/364784820.db2.gz WMARVVUNTSGSAR-RAIGVLPGSA-N 1 0 247.338 2.394 20 10 BECDRO CO[C@@H](C[NH2+]Cc1ccccc1O)C(C)C ZINC000072924690 368785560 /nfs/dbraw/zinc/78/55/60/368785560.db2.gz DSSOCPUPZQNCKY-ZDUSSCGKSA-N 1 0 223.316 2.153 20 10 BECDRO Oc1ccc(Br)cc1C[NH2+]C1CC1 ZINC000050273157 183267289 /nfs/dbraw/zinc/26/72/89/183267289.db2.gz WXPUWGCONCMFFD-UHFFFAOYSA-N 1 0 242.116 2.407 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1CCCSCC1 ZINC000273356407 183274802 /nfs/dbraw/zinc/27/48/02/183274802.db2.gz CETSTEUEZAIWOE-UHFFFAOYSA-N 1 0 241.331 2.470 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCSC1 ZINC000229417672 183275096 /nfs/dbraw/zinc/27/50/96/183275096.db2.gz AOAPASSDXFWEPA-SECBINFHSA-N 1 0 241.331 2.374 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000297170147 183298561 /nfs/dbraw/zinc/29/85/61/183298561.db2.gz DKAOPSRPCKDYMW-NWDGAFQWSA-N 1 0 233.311 2.148 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCCOC1)CC2 ZINC000296022350 183298697 /nfs/dbraw/zinc/29/86/97/183298697.db2.gz PPXMBBRLEIMERI-WCQYABFASA-N 1 0 247.338 2.396 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000272356787 183301200 /nfs/dbraw/zinc/30/12/00/183301200.db2.gz DUKZMZGJLHGPHU-UHFFFAOYSA-N 1 0 247.338 2.395 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1CCCOCC1 ZINC000161435261 183303288 /nfs/dbraw/zinc/30/32/88/183303288.db2.gz NJGSBNQEXIQMNP-GFCCVEGCSA-N 1 0 221.300 2.051 20 10 BECDRO Oc1ccccc1C[NH2+][C@H]1CCCSC1 ZINC000075152008 183303370 /nfs/dbraw/zinc/30/33/70/183303370.db2.gz KFWKKYAUWGTEOP-NSHDSACASA-N 1 0 223.341 2.377 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000162937042 183303750 /nfs/dbraw/zinc/30/37/50/183303750.db2.gz XUNPUUQECFZRCY-LBPRGKRZSA-N 1 0 219.284 2.175 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000077205533 183303877 /nfs/dbraw/zinc/30/38/77/183303877.db2.gz XCKVJFRDENGUBL-GXTWGEPZSA-N 1 0 235.327 2.033 20 10 BECDRO c1cc(C[NH2+]CCOCC2CC2)cc2c1OCC2 ZINC000224534698 183368303 /nfs/dbraw/zinc/36/83/03/183368303.db2.gz SCJTUYCRDKUWSG-UHFFFAOYSA-N 1 0 247.338 2.138 20 10 BECDRO CCC[C@@H](C[NH2+]Cc1ccccc1O)OC ZINC000293571573 169384494 /nfs/dbraw/zinc/38/44/94/169384494.db2.gz DOSYGWCPZXGKPO-LBPRGKRZSA-N 1 0 223.316 2.297 20 10 BECDRO CN(C)c1ccc(C[NH2+]Cc2ccn(C)c2)cc1 ZINC000091007312 384090090 /nfs/dbraw/zinc/09/00/90/384090090.db2.gz IGVAGGGJDXLZQE-UHFFFAOYSA-N 1 0 243.354 2.381 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c1 ZINC000038088023 384066162 /nfs/dbraw/zinc/06/61/62/384066162.db2.gz BBAARNRQHWOGSC-VXGBXAGGSA-N 1 0 236.359 2.301 20 10 BECDRO C[C@@H](CCO)C[NH2+]Cc1c(O)cccc1Cl ZINC000090740038 384073533 /nfs/dbraw/zinc/07/35/33/384073533.db2.gz NLDGTYZYTIQRGC-VIFPVBQESA-N 1 0 243.734 2.154 20 10 BECDRO C[C@H](CCO)C[NH2+]Cc1c(O)cccc1Cl ZINC000090740039 384073980 /nfs/dbraw/zinc/07/39/80/384073980.db2.gz NLDGTYZYTIQRGC-SECBINFHSA-N 1 0 243.734 2.154 20 10 BECDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccccc1O ZINC000070625206 384128399 /nfs/dbraw/zinc/12/83/99/384128399.db2.gz IZUPUACWVXKAJS-MNOVXSKESA-N 1 0 223.316 2.468 20 10 BECDRO CO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000091772169 384142902 /nfs/dbraw/zinc/14/29/02/384142902.db2.gz PRPZQXXWOQPUNR-HNNXBMFYSA-N 1 0 248.370 2.363 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CCn2ccnc2)c(O)c1 ZINC000041119322 384181192 /nfs/dbraw/zinc/18/11/92/384181192.db2.gz WVDWYIJQGKEYLA-LBPRGKRZSA-N 1 0 245.326 2.248 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCO)c1 ZINC000132492187 384232525 /nfs/dbraw/zinc/23/25/25/384232525.db2.gz NJYIWONJCORPHW-GHMZBOCLSA-N 1 0 223.316 2.122 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000132507686 384233016 /nfs/dbraw/zinc/23/30/16/384233016.db2.gz ZRVPLZLDIHUDNI-GFCCVEGCSA-N 1 0 221.300 2.003 20 10 BECDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618502 384307371 /nfs/dbraw/zinc/30/73/71/384307371.db2.gz JLPVBOJEMWCMFV-JOYOIKCWSA-N 1 0 241.306 2.199 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCOCC2(C)C)c1 ZINC000133540584 384297703 /nfs/dbraw/zinc/29/77/03/384297703.db2.gz OPWTWKNHRXAGLA-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)CCO)c1ccccc1O ZINC000120627470 384367592 /nfs/dbraw/zinc/36/75/92/384367592.db2.gz PVTMMBVOOIWYNH-JQWIXIFHSA-N 1 0 223.316 2.204 20 10 BECDRO CN(C)c1ccc(C[NH2+]C(C)(C)CCO)cc1 ZINC000135226936 384425700 /nfs/dbraw/zinc/42/57/00/384425700.db2.gz DIIPRZOGJAAGHR-UHFFFAOYSA-N 1 0 236.359 2.003 20 10 BECDRO CCOCC[NH2+][C@H](C)c1ccccc1O ZINC000036229153 384434053 /nfs/dbraw/zinc/43/40/53/384434053.db2.gz XBXBUIZXKUNFGR-SNVBAGLBSA-N 1 0 209.289 2.079 20 10 BECDRO C[N@H+](CCCCCCO)Cc1ccccc1O ZINC000079321499 384491792 /nfs/dbraw/zinc/49/17/92/384491792.db2.gz JSIMQHQNPUCDFN-UHFFFAOYSA-N 1 0 237.343 2.377 20 10 BECDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000122812517 384511401 /nfs/dbraw/zinc/51/14/01/384511401.db2.gz YAZRJMTYSIBOTA-RYUDHWBXSA-N 1 0 236.359 2.174 20 10 BECDRO COC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000019904849 384556942 /nfs/dbraw/zinc/55/69/42/384556942.db2.gz JVYSEYIOHXBDPQ-MRVPVSSYSA-N 1 0 229.707 2.170 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000049900226 384574424 /nfs/dbraw/zinc/57/44/24/384574424.db2.gz KSSQSUSUDFCAEB-OAHLLOKOSA-N 1 0 248.370 2.411 20 10 BECDRO CC[C@@H](CO)[NH2+][C@@H](CC)c1ccccc1O ZINC000020195453 384593084 /nfs/dbraw/zinc/59/30/84/384593084.db2.gz FYWKMVXDQYQHBO-JQWIXIFHSA-N 1 0 223.316 2.204 20 10 BECDRO CCSCC[NH2+]Cc1cccc(OC)c1O ZINC000289539697 384673024 /nfs/dbraw/zinc/67/30/24/384673024.db2.gz WRRHKEISRBVWRP-UHFFFAOYSA-N 1 0 241.356 2.244 20 10 BECDRO CCOc1ccc(O)c(C[NH+]2CCCC2)c1 ZINC000101590285 384683447 /nfs/dbraw/zinc/68/34/47/384683447.db2.gz HGKFQXZFFWIBRE-UHFFFAOYSA-N 1 0 221.300 2.387 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN2C)c1 ZINC000185141705 384684583 /nfs/dbraw/zinc/68/45/83/384684583.db2.gz UEWHOJXVDZKZDF-STQMWFEESA-N 1 0 248.370 2.445 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1 ZINC000102675125 384721707 /nfs/dbraw/zinc/72/17/07/384721707.db2.gz ZPULARXVNSAWTE-HNNXBMFYSA-N 1 0 248.370 2.363 20 10 BECDRO CCN(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000054110222 384820659 /nfs/dbraw/zinc/82/06/59/384820659.db2.gz XTOAHKYHRDAIPM-LBPRGKRZSA-N 1 0 236.359 2.303 20 10 BECDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000185921310 384787775 /nfs/dbraw/zinc/78/77/75/384787775.db2.gz CIUABIITICNOTM-RYUDHWBXSA-N 1 0 236.359 2.438 20 10 BECDRO CC[C@H](C[NH2+][C@H](C)c1ccccc1O)OC ZINC000289602080 384789689 /nfs/dbraw/zinc/78/96/89/384789689.db2.gz BPTUNCKWFLTMHG-GHMZBOCLSA-N 1 0 223.316 2.468 20 10 BECDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000163979445 384886094 /nfs/dbraw/zinc/88/60/94/384886094.db2.gz CJZMVVDCONGZIY-GXFFZTMASA-N 1 0 223.316 2.060 20 10 BECDRO Cc1ccc(O)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000126929157 384846352 /nfs/dbraw/zinc/84/63/52/384846352.db2.gz VBLVBNZSPSJVAL-VXGBXAGGSA-N 1 0 235.327 2.310 20 10 BECDRO C[C@H](O)CC[N@H+](C)Cc1c(O)cccc1Cl ZINC000127679768 384935822 /nfs/dbraw/zinc/93/58/22/384935822.db2.gz GQMWWPVUMVKLCO-VIFPVBQESA-N 1 0 243.734 2.248 20 10 BECDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000086122465 384986915 /nfs/dbraw/zinc/98/69/15/384986915.db2.gz WRJCPZSSSNUZPH-ZYHUDNBSSA-N 1 0 223.316 2.060 20 10 BECDRO CC[C@@H](C[NH2+]Cc1cc(F)ccc1O)OC ZINC000290958964 385068637 /nfs/dbraw/zinc/06/86/37/385068637.db2.gz RJOKJNLHBQWRMN-NSHDSACASA-N 1 0 227.279 2.046 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCC(C)(C)CO)c1 ZINC000294759465 385182090 /nfs/dbraw/zinc/18/20/90/385182090.db2.gz IYSKLXAWFADHMR-UHFFFAOYSA-N 1 0 237.343 2.199 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1 ZINC000129396533 385148768 /nfs/dbraw/zinc/14/87/68/385148768.db2.gz BOXYSCUZHMRSSR-OAHLLOKOSA-N 1 0 248.370 2.099 20 10 BECDRO CC[C@]1(CO)CCC[N@H+](Cc2ccccc2O)C1 ZINC000190212042 385218174 /nfs/dbraw/zinc/21/81/74/385218174.db2.gz GNBDFWBUMLCYJS-HNNXBMFYSA-N 1 0 249.354 2.377 20 10 BECDRO CO[C@](C)(C[NH2+]Cc1ccccc1O)C1CC1 ZINC000291099356 385203757 /nfs/dbraw/zinc/20/37/57/385203757.db2.gz ZMKKSMHURDXWKP-CQSZACIVSA-N 1 0 235.327 2.297 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCOC1 ZINC000153881570 385288077 /nfs/dbraw/zinc/28/80/77/385288077.db2.gz RZTWJKZVTFVPFA-LBPRGKRZSA-N 1 0 235.327 2.251 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CCCCO)c(O)c1 ZINC000193279797 385390274 /nfs/dbraw/zinc/39/02/74/385390274.db2.gz YHIBBEQLFIYDQN-LLVKDONJSA-N 1 0 223.316 2.124 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN(C)C)c1 ZINC000168763565 385384841 /nfs/dbraw/zinc/38/48/41/385384841.db2.gz JNMCIUSIWSBKEB-NWDGAFQWSA-N 1 0 236.359 2.301 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN(C)C)c1 ZINC000168763650 385385065 /nfs/dbraw/zinc/38/50/65/385385065.db2.gz JNMCIUSIWSBKEB-RYUDHWBXSA-N 1 0 236.359 2.301 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C(C)C)c1 ZINC000168774926 385386081 /nfs/dbraw/zinc/38/60/81/385386081.db2.gz SSDWPECDKFPJQJ-FZMZJTMJSA-N 1 0 237.343 2.368 20 10 BECDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)OC ZINC000289421959 385403035 /nfs/dbraw/zinc/40/30/35/385403035.db2.gz BOXUGEINRBUHOQ-AWEZNQCLSA-N 1 0 236.359 2.267 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](N(C)C)C2)c1 ZINC000156068036 385433633 /nfs/dbraw/zinc/43/36/33/385433633.db2.gz UMISVKRRRCQERJ-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO CO[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179570659 385473961 /nfs/dbraw/zinc/47/39/61/385473961.db2.gz BNAGLGGBTDPDIQ-LBPRGKRZSA-N 1 0 221.300 2.003 20 10 BECDRO CCCCC[N@H+](CCO)Cc1ccccc1O ZINC000179556182 385474660 /nfs/dbraw/zinc/47/46/60/385474660.db2.gz ZCXPOQRREMAYSO-UHFFFAOYSA-N 1 0 237.343 2.377 20 10 BECDRO CC[C@H]([NH2+]C[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000179584688 385475391 /nfs/dbraw/zinc/47/53/91/385475391.db2.gz DWWQRKUAQBFVAE-RISCZKNCSA-N 1 0 236.359 2.174 20 10 BECDRO CC[C@H]1C[N@H+](Cc2ccccc2O)CCCO1 ZINC000281253096 385650889 /nfs/dbraw/zinc/65/08/89/385650889.db2.gz MRIPQEOJAXIBDJ-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO CCC1(CO)CC[NH+](Cc2ccccc2O)CC1 ZINC000271468417 385830670 /nfs/dbraw/zinc/83/06/70/385830670.db2.gz YJZXBSHLIVZCPG-UHFFFAOYSA-N 1 0 249.354 2.377 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000123535519 385887290 /nfs/dbraw/zinc/88/72/90/385887290.db2.gz XEBBZEAMOWJRLW-GHMZBOCLSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCCO)c(O)c1 ZINC000284890368 385888573 /nfs/dbraw/zinc/88/85/73/385888573.db2.gz BTLJLHFEMZVMNR-GFCCVEGCSA-N 1 0 237.343 2.432 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C2(CCO)CCCC2)c1 ZINC000285426275 385925467 /nfs/dbraw/zinc/92/54/67/385925467.db2.gz HBPIWDUNIGQWCV-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1 ZINC000285418326 385925743 /nfs/dbraw/zinc/92/57/43/385925743.db2.gz GKLPDXROKHJVHF-OLZOCXBDSA-N 1 0 249.354 2.463 20 10 BECDRO CC[C@](C)(CCO)[NH2+]Cc1cccc(C)c1O ZINC000224906882 386156057 /nfs/dbraw/zinc/15/60/57/386156057.db2.gz SYRQLUZYJWMWIL-CQSZACIVSA-N 1 0 237.343 2.341 20 10 BECDRO C[N@H+](CCOC1CCC1)Cc1ccccc1O ZINC000287931376 386157341 /nfs/dbraw/zinc/15/73/41/386157341.db2.gz WVCHKWRGPQJEFY-UHFFFAOYSA-N 1 0 235.327 2.393 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1 ZINC000276003854 386259536 /nfs/dbraw/zinc/25/95/36/386259536.db2.gz NWHOCWVLWVBNTA-HDJSIYSDSA-N 1 0 249.354 2.436 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297155592 386228797 /nfs/dbraw/zinc/22/87/97/386228797.db2.gz COGUNQKTMZGUKH-CKYFFXLPSA-N 1 0 235.327 2.393 20 10 BECDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000226251704 386243064 /nfs/dbraw/zinc/24/30/64/386243064.db2.gz OHZFAXBECXXMIX-OAHLLOKOSA-N 1 0 249.354 2.262 20 10 BECDRO Cc1cnn(C)c1C[N@H+](C)Cc1ccccc1O ZINC000288966176 386246357 /nfs/dbraw/zinc/24/63/57/386246357.db2.gz BICSNUCEYQTCCL-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000289337367 386285255 /nfs/dbraw/zinc/28/52/55/386285255.db2.gz HKDUGSNKBRMNPC-TXEJJXNPSA-N 1 0 221.300 2.001 20 10 BECDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)O)cc1 ZINC000274713506 386343083 /nfs/dbraw/zinc/34/30/83/386343083.db2.gz BCFOSUPWDZZHHO-UHFFFAOYSA-N 1 0 236.359 2.003 20 10 BECDRO CO[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000226562457 386333995 /nfs/dbraw/zinc/33/39/95/386333995.db2.gz NXRVQKUWVAAYCG-LLVKDONJSA-N 1 0 239.290 2.142 20 10 BECDRO C[N@H+](Cc1ccccc1O)C1CCC(CO)CC1 ZINC000290530818 386450264 /nfs/dbraw/zinc/45/02/64/386450264.db2.gz QPRSNXLIDXUYQR-UHFFFAOYSA-N 1 0 249.354 2.375 20 10 BECDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccccc1O ZINC000290375636 386426975 /nfs/dbraw/zinc/42/69/75/386426975.db2.gz HTZXTMQXLXVTKL-CYBMUJFWSA-N 1 0 237.343 2.231 20 10 BECDRO C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2O)CC1 ZINC000227330434 386475490 /nfs/dbraw/zinc/47/54/90/386475490.db2.gz ALKPLNDSYIQXLY-UHFFFAOYSA-N 1 0 248.370 2.214 20 10 BECDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000228042054 386534628 /nfs/dbraw/zinc/53/46/28/386534628.db2.gz MIAXFEBYQZCSHP-MNOVXSKESA-N 1 0 223.316 2.204 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000293991658 386672076 /nfs/dbraw/zinc/67/20/76/386672076.db2.gz LQGXGXBAZYKARE-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO C[C@@]1(O)CCC[N@H+](Cc2ccccc2O)CC1 ZINC000279720422 386728125 /nfs/dbraw/zinc/72/81/25/386728125.db2.gz UPAOZFUYMMEIGJ-CQSZACIVSA-N 1 0 235.327 2.129 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CCO)c(O)c1 ZINC000293251815 386794289 /nfs/dbraw/zinc/79/42/89/386794289.db2.gz BPIMSNDITZRJDV-VXGBXAGGSA-N 1 0 237.343 2.431 20 10 BECDRO CO[C@H](C[NH2+]Cc1cc(C)ccc1O)C1CC1 ZINC000293219941 386770382 /nfs/dbraw/zinc/77/03/82/386770382.db2.gz YQGUPBYFCOLGCF-CQSZACIVSA-N 1 0 235.327 2.215 20 10 BECDRO CC[C@H]([NH2+]C[C@@H](C)CO)c1ccc(C)cc1O ZINC000280036709 386773133 /nfs/dbraw/zinc/77/31/33/386773133.db2.gz IMJAAHLJJKNOCI-YPMHNXCESA-N 1 0 237.343 2.370 20 10 BECDRO CO[C@@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000191203878 386774026 /nfs/dbraw/zinc/77/40/26/386774026.db2.gz KFCFFPLMFWGSAL-VIFPVBQESA-N 1 0 243.734 2.479 20 10 BECDRO C[C@@H]([NH2+]CC1=NOCC1)c1ccc(N(C)C)cc1 ZINC001645342037 1172655531 /nfs/dbraw/zinc/65/55/31/1172655531.db2.gz ZAMIREXAZFMRKH-LLVKDONJSA-N 1 0 247.342 2.180 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000368441932 386974411 /nfs/dbraw/zinc/97/44/11/386974411.db2.gz NKAOUJHWWOZSOS-LBPRGKRZSA-N 1 0 247.338 2.169 20 10 BECDRO CC[C@](C)(CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230222707 387250466 /nfs/dbraw/zinc/25/04/66/387250466.db2.gz KLBWHIVLKZWECD-OAHLLOKOSA-N 1 0 249.354 2.262 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000230316724 387260446 /nfs/dbraw/zinc/26/04/46/387260446.db2.gz MUYCQTDVTVLDJI-OCCSQVGLSA-N 1 0 233.311 2.049 20 10 BECDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000292987377 387346584 /nfs/dbraw/zinc/34/65/84/387346584.db2.gz LUDBWBNKTUSJIW-HNNXBMFYSA-N 1 0 248.370 2.267 20 10 BECDRO CO[C@@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000378637461 387791008 /nfs/dbraw/zinc/79/10/08/387791008.db2.gz NJXNYELMLVEYFG-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO C[C@H]([NH2+]CC1COC1)c1cc(Cl)ccc1O ZINC000528026173 387830648 /nfs/dbraw/zinc/83/06/48/387830648.db2.gz PBMOWTGUOIFMTN-QMMMGPOBSA-N 1 0 241.718 2.343 20 10 BECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CF)c1 ZINC000288347110 387979225 /nfs/dbraw/zinc/97/92/25/387979225.db2.gz BUAIXPMXGDCZRF-VIFPVBQESA-N 1 0 227.279 2.239 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H]1CCOC1 ZINC000297156506 388428529 /nfs/dbraw/zinc/42/85/29/388428529.db2.gz BDEICBLHTXNXHK-CYZMBNFOSA-N 1 0 247.338 2.394 20 10 BECDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccccc1O ZINC000297434902 388429887 /nfs/dbraw/zinc/42/98/87/388429887.db2.gz VOSKGAARNHSLQC-RYUDHWBXSA-N 1 0 237.343 2.451 20 10 BECDRO C[C@@H](CCCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297616463 388430898 /nfs/dbraw/zinc/43/08/98/388430898.db2.gz ISPPEVPKKFRBNE-CMPLNLGQSA-N 1 0 235.327 2.130 20 10 BECDRO C[C@@H]([NH2+]C[C@H](C)O)c1cc(Cl)ccc1O ZINC000134899040 388480060 /nfs/dbraw/zinc/48/00/60/388480060.db2.gz ISDZZYIPAOPAFZ-JGVFFNPUSA-N 1 0 229.707 2.077 20 10 BECDRO CO[C@@H](C[NH2+]Cc1cc(F)ccc1O)C(C)C ZINC000272347818 389032130 /nfs/dbraw/zinc/03/21/30/389032130.db2.gz CTEIVUNWYXKIJM-ZDUSSCGKSA-N 1 0 241.306 2.292 20 10 BECDRO COCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000020085565 132329962 /nfs/dbraw/zinc/32/99/62/132329962.db2.gz ZZGKAVZEDZBEAB-UHFFFAOYSA-N 1 0 248.370 2.413 20 10 BECDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000035111479 132337595 /nfs/dbraw/zinc/33/75/95/132337595.db2.gz XWPXKQPZCCPQHJ-CYBMUJFWSA-N 1 0 248.370 2.147 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000180615660 134330522 /nfs/dbraw/zinc/33/05/22/134330522.db2.gz UUCWONHFJSUHQM-OAHLLOKOSA-N 1 0 247.338 2.313 20 10 BECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000185816988 397873306 /nfs/dbraw/zinc/87/33/06/397873306.db2.gz UTIXBKVNHGVLPO-HSWBROFVSA-N 1 0 247.338 2.038 20 10 BECDRO C[N@H+](Cc1ccno1)Cc1ccccc1O ZINC000264687207 397923391 /nfs/dbraw/zinc/92/33/91/397923391.db2.gz FXWYVMQQROLWHB-UHFFFAOYSA-N 1 0 218.256 2.012 20 10 BECDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccccc1O ZINC000228794619 167393648 /nfs/dbraw/zinc/39/36/48/167393648.db2.gz CVDDRKODJYBLLS-DGCLKSJQSA-N 1 0 237.343 2.450 20 10 BECDRO CCOCC(C)(C)[NH2+]Cc1ccccc1O ZINC000293129883 170355316 /nfs/dbraw/zinc/35/53/16/170355316.db2.gz ZQJFURSZAQBBBD-UHFFFAOYSA-N 1 0 223.316 2.297 20 10 BECDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(F)ccc1O ZINC000180837872 171165344 /nfs/dbraw/zinc/16/53/44/171165344.db2.gz IZIAPHGOQFKLRT-ZDUSSCGKSA-N 1 0 241.306 2.172 20 10 BECDRO CC[C@H]1C[N@H+](Cc2ccccc2O)C[C@H](C)O1 ZINC000179563403 171662420 /nfs/dbraw/zinc/66/24/20/171662420.db2.gz AKIIDPHMIZDKBI-AAEUAGOBSA-N 1 0 235.327 2.392 20 10 BECDRO CN(C)C(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362783 172395032 /nfs/dbraw/zinc/39/50/32/172395032.db2.gz SERAIRZIYMLAPM-UHFFFAOYSA-N 1 0 248.370 2.051 20 10 BECDRO COCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000156034036 174120775 /nfs/dbraw/zinc/12/07/75/174120775.db2.gz LNWXSERMBFBONI-UHFFFAOYSA-N 1 0 235.327 2.251 20 10 BECDRO COCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000020142525 174249349 /nfs/dbraw/zinc/24/93/49/174249349.db2.gz MEVKTMUUAXRHEE-JTQLQIEISA-N 1 0 239.315 2.088 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H](O)C(C)C)cc1C ZINC000134696738 175107332 /nfs/dbraw/zinc/10/73/32/175107332.db2.gz QDDLKRQSVKEHRQ-CYBMUJFWSA-N 1 0 237.343 2.110 20 10 BECDRO COc1ccc(C[NH2+]Cc2ccccn2)c(O)c1 ZINC000040905810 175108011 /nfs/dbraw/zinc/10/80/11/175108011.db2.gz KHVMMLHFYDRISP-UHFFFAOYSA-N 1 0 244.294 2.086 20 10 BECDRO COc1ccc(C[NH2+]Cc2ccnn2C)cc1C ZINC000070141194 175108418 /nfs/dbraw/zinc/10/84/18/175108418.db2.gz VKNXUCUSBNVUGF-UHFFFAOYSA-N 1 0 245.326 2.027 20 10 BECDRO COc1ccc(C[NH2+]Cc2c[nH]nc2C)cc1C ZINC000037989267 175108740 /nfs/dbraw/zinc/10/87/40/175108740.db2.gz WMDUHAYDOICZPP-UHFFFAOYSA-N 1 0 245.326 2.325 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000132650722 175158162 /nfs/dbraw/zinc/15/81/62/175158162.db2.gz NAFSTUJLQKKTLR-JTQLQIEISA-N 1 0 221.300 2.385 20 10 BECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000162519451 175158709 /nfs/dbraw/zinc/15/87/09/175158709.db2.gz GGMHGNJOIFORPV-ZJUUUORDSA-N 1 0 221.300 2.146 20 10 BECDRO COc1cccc(C[NH2+]CC(C)C)c1O ZINC000019883066 175263137 /nfs/dbraw/zinc/26/31/37/175263137.db2.gz FQEMPSZYSNJIDA-UHFFFAOYSA-N 1 0 209.289 2.146 20 10 BECDRO COc1cccc(C[NH2+]CCC(F)(F)F)c1O ZINC000063098640 175263831 /nfs/dbraw/zinc/26/38/31/175263831.db2.gz FRIMFUTZRANLRH-UHFFFAOYSA-N 1 0 249.232 2.443 20 10 BECDRO COc1cccc(C[NH2+]C[C@@H](C)SC)c1O ZINC000128185589 175264900 /nfs/dbraw/zinc/26/49/00/175264900.db2.gz FVPGNECXTOCSEK-SECBINFHSA-N 1 0 241.356 2.242 20 10 BECDRO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2O)O1 ZINC000190860984 176202758 /nfs/dbraw/zinc/20/27/58/176202758.db2.gz RYTOPCITNQFVAQ-YPMHNXCESA-N 1 0 235.327 2.392 20 10 BECDRO C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccc2O)O1 ZINC000190860952 176224024 /nfs/dbraw/zinc/22/40/24/176224024.db2.gz RYTOPCITNQFVAQ-DGCLKSJQSA-N 1 0 235.327 2.392 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCCO1 ZINC000132722136 176307690 /nfs/dbraw/zinc/30/76/90/176307690.db2.gz NKEHTLWNOQWLEV-LLVKDONJSA-N 1 0 221.300 2.003 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@@H](C)O1 ZINC000295264090 176377290 /nfs/dbraw/zinc/37/72/90/176377290.db2.gz VGCOJFYMPBDRBU-CKYFFXLPSA-N 1 0 221.300 2.048 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CN1C1CC1 ZINC000122327904 176378362 /nfs/dbraw/zinc/37/83/62/176378362.db2.gz UHMNEUMQCQJPNL-DGCLKSJQSA-N 1 0 246.354 2.107 20 10 BECDRO C[C@H](CCO)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000295135174 176630369 /nfs/dbraw/zinc/63/03/69/176630369.db2.gz PCHAWSZVZHZMPU-LBPRGKRZSA-N 1 0 249.354 2.120 20 10 BECDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccccc1O ZINC000293011519 177144274 /nfs/dbraw/zinc/14/42/74/177144274.db2.gz OAKYCFCQFYEYPT-FZMZJTMJSA-N 1 0 235.327 2.033 20 10 BECDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000226563348 177162825 /nfs/dbraw/zinc/16/28/25/177162825.db2.gz XTVZESCXSGFQMS-VIFPVBQESA-N 1 0 209.264 2.373 20 10 BECDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277665285 177297015 /nfs/dbraw/zinc/29/70/15/177297015.db2.gz FUIFKUBNSCJLHG-SMDDNHRTSA-N 1 0 247.338 2.136 20 10 BECDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CN1C1CC1 ZINC000122327719 177370948 /nfs/dbraw/zinc/37/09/48/177370948.db2.gz UHMNEUMQCQJPNL-AAEUAGOBSA-N 1 0 246.354 2.107 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1O)[C@@H](C)O ZINC001652462814 1173087477 /nfs/dbraw/zinc/08/74/77/1173087477.db2.gz IOEFZCWSSDESIY-KCJUWKMLSA-N 1 0 243.734 2.295 20 10 BECDRO CC[C@@H]([NH2+]CC1COC1)c1ccccc1O ZINC000528024747 262902850 /nfs/dbraw/zinc/90/28/50/262902850.db2.gz JOXQHYYXOOOTQW-GFCCVEGCSA-N 1 0 221.300 2.079 20 10 BECDRO CC[C@@H](N[C@@H](C)C[NH2+]C)c1ccc(N(C)C)cc1 ZINC000854230880 588781007 /nfs/dbraw/zinc/78/10/07/588781007.db2.gz BCOYKCNJWMBGGF-SWLSCSKDSA-N 1 0 249.402 2.401 20 10 BECDRO Cc1ccc([C@@H](C)NCC23CC(C2)C[NH2+]3)c(O)c1 ZINC000854226261 588780481 /nfs/dbraw/zinc/78/04/81/588780481.db2.gz GMRDYPVDROSKKO-XIKARTHZSA-N 1 0 246.354 2.103 20 10 BECDRO CC[C@@H](N[C@H](C)C[NH2+]C)c1ccc(N(C)C)cc1 ZINC000854230879 588780881 /nfs/dbraw/zinc/78/08/81/588780881.db2.gz BCOYKCNJWMBGGF-IUODEOHRSA-N 1 0 249.402 2.401 20 10 BECDRO CCN(C)c1ccc([C@@H](C)N[C@@H](C)C[NH2+]C)cc1 ZINC000854233278 588781560 /nfs/dbraw/zinc/78/15/60/588781560.db2.gz YMHUMBRRENGYOH-QWHCGFSZSA-N 1 0 249.402 2.401 20 10 BECDRO COC[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113310990 588831020 /nfs/dbraw/zinc/83/10/20/588831020.db2.gz XTXICMOZWODFIH-JTQLQIEISA-N 1 0 240.322 2.016 20 10 BECDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccccc1O ZINC000846014860 582642297 /nfs/dbraw/zinc/64/22/97/582642297.db2.gz AMHXGOAQDQGPOE-YPMHNXCESA-N 1 0 237.343 2.279 20 10 BECDRO CC[C@H](CCO)[NH2+]Cc1c(O)cccc1Cl ZINC000123839639 582851706 /nfs/dbraw/zinc/85/17/06/582851706.db2.gz HISUHEFZADLLLR-SECBINFHSA-N 1 0 243.734 2.296 20 10 BECDRO COc1cccc(O)c1C[NH2+]Cc1ccoc1 ZINC000725846450 582903289 /nfs/dbraw/zinc/90/32/89/582903289.db2.gz IXXOHXCVFSXTRE-UHFFFAOYSA-N 1 0 233.267 2.284 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1 ZINC000857061260 588884632 /nfs/dbraw/zinc/88/46/32/588884632.db2.gz NBBNZIYXJOKPNV-OCCSQVGLSA-N 1 0 249.354 2.151 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2C=CCC2)c(O)c1OC ZINC000895338960 583653586 /nfs/dbraw/zinc/65/35/86/583653586.db2.gz WJIMOIPPCINSCE-LLVKDONJSA-N 1 0 249.310 2.218 20 10 BECDRO C/C=C/C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895404333 583667019 /nfs/dbraw/zinc/66/70/19/583667019.db2.gz DXHNXVKDKDFDMP-SNAWJCMRSA-N 1 0 221.300 2.375 20 10 BECDRO c1cc2c(cc1C[NH2+]CC1CSC1)CCCO2 ZINC000895720016 583712007 /nfs/dbraw/zinc/71/20/07/583712007.db2.gz CSROEXBLRLUJBJ-UHFFFAOYSA-N 1 0 249.379 2.464 20 10 BECDRO C/C=C\C[NH2+]Cc1cc(OCC)ccc1O ZINC000858289969 588942438 /nfs/dbraw/zinc/94/24/38/588942438.db2.gz CEOXRDQRAWLCSU-HYXAFXHYSA-N 1 0 221.300 2.457 20 10 BECDRO C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745541 583992709 /nfs/dbraw/zinc/99/27/09/583992709.db2.gz ZYHVJBYRFRRUFQ-YUMQZZPRSA-N 1 0 229.707 2.077 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2COC2)cc1 ZINC000858550733 588964633 /nfs/dbraw/zinc/96/46/33/588964633.db2.gz SPPDCKPULJOHGH-LBPRGKRZSA-N 1 0 248.370 2.440 20 10 BECDRO CC[C@@H]([NH3+])CNCc1c(O)cc(C)cc1Cl ZINC000841071942 584392376 /nfs/dbraw/zinc/39/23/76/584392376.db2.gz KCJYKVJGLQFXIT-SECBINFHSA-N 1 0 242.750 2.181 20 10 BECDRO CC[C@H]([NH2+]CCCON)c1ccc(C)cc1O ZINC000902425412 584593820 /nfs/dbraw/zinc/59/38/20/584593820.db2.gz NJBJDQWVEFJLBJ-LBPRGKRZSA-N 1 0 238.331 2.022 20 10 BECDRO C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1O ZINC000902447887 584604699 /nfs/dbraw/zinc/60/46/99/584604699.db2.gz BSXCPXKIEVNXNX-GXFFZTMASA-N 1 0 234.343 2.041 20 10 BECDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1O ZINC000903287106 584745670 /nfs/dbraw/zinc/74/56/70/584745670.db2.gz AADUTRPDXVZVRE-MHVRPGDESA-N 1 0 245.322 2.219 20 10 BECDRO OCCC1CC([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000903334288 584751209 /nfs/dbraw/zinc/75/12/09/584751209.db2.gz ZPOGMWLUBMWEFC-KGPNIALWSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@H]([NH2+]Cc1cn(C)cn1)c1cc(F)ccc1O ZINC000903351360 584755275 /nfs/dbraw/zinc/75/52/75/584755275.db2.gz KAXNWHAPGWXKQW-VIFPVBQESA-N 1 0 249.289 2.116 20 10 BECDRO CCN(C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC)cc1 ZINC000903430019 584761477 /nfs/dbraw/zinc/76/14/77/584761477.db2.gz NPSIOQOPIPMVLG-OLZOCXBDSA-N 1 0 248.370 2.377 20 10 BECDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1ccccc1O ZINC000903438804 584762938 /nfs/dbraw/zinc/76/29/38/584762938.db2.gz XFVABJJJKDFEOU-LEWSCRJBSA-N 1 0 247.338 2.468 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c1 ZINC000827700666 584900703 /nfs/dbraw/zinc/90/07/03/584900703.db2.gz WOAMURYYSCYKAY-WFASDCNBSA-N 1 0 249.354 2.151 20 10 BECDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H]1C[C@H]1C ZINC000817956828 584991655 /nfs/dbraw/zinc/99/16/55/584991655.db2.gz DPPBMXZSNPZJFG-SUNKGSAMSA-N 1 0 218.344 2.445 20 10 BECDRO CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000817979339 584994323 /nfs/dbraw/zinc/99/43/23/584994323.db2.gz JNCBSNCAWKFGGA-ZYHUDNBSSA-N 1 0 240.322 2.309 20 10 BECDRO Oc1ccccc1C[NH+]1CC2(C1)CCOCC2 ZINC000839140546 585094389 /nfs/dbraw/zinc/09/43/89/585094389.db2.gz FDNTYBNOEAJOHC-UHFFFAOYSA-N 1 0 233.311 2.005 20 10 BECDRO CCOC1(C)C[NH+](Cc2ccccc2O)C1 ZINC000839142042 585094789 /nfs/dbraw/zinc/09/47/89/585094789.db2.gz FOFVSPYFIMODTD-UHFFFAOYSA-N 1 0 221.300 2.003 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)c1O ZINC000839190695 585097481 /nfs/dbraw/zinc/09/74/81/585097481.db2.gz JPRBBFQPAAODRD-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000839192927 585097958 /nfs/dbraw/zinc/09/79/58/585097958.db2.gz UOSYEILMRNMODD-OLZOCXBDSA-N 1 0 235.327 2.358 20 10 BECDRO COc1ccc(C[NH2+][C@H](CCO)C2CC2)cc1C ZINC000741255236 585111699 /nfs/dbraw/zinc/11/16/99/585111699.db2.gz NLUBAEHJXWJAJP-CQSZACIVSA-N 1 0 249.354 2.254 20 10 BECDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccccc1O ZINC000743499126 585137461 /nfs/dbraw/zinc/13/74/61/585137461.db2.gz HUEMBKMYGDKZLC-WCQYABFASA-N 1 0 237.343 2.279 20 10 BECDRO COc1ccc(C[NH2+]Cc2ccn(C)c2)c(O)c1 ZINC000748098539 585186916 /nfs/dbraw/zinc/18/69/16/585186916.db2.gz GXCNWEHUNMXTMU-UHFFFAOYSA-N 1 0 246.310 2.029 20 10 BECDRO C[C@H]1C[C@H]1C[N@H+](C)Cc1ccccc1O ZINC000754100740 585278154 /nfs/dbraw/zinc/27/81/54/585278154.db2.gz FDWJXRBBWXFAOZ-JQWIXIFHSA-N 1 0 205.301 2.480 20 10 BECDRO Cc1cc(C)c(O)c(C[N@H+]2CCOC[C@H](C)C2)c1 ZINC000754748984 585290489 /nfs/dbraw/zinc/29/04/89/585290489.db2.gz UVNSCNLYPCEZCB-GFCCVEGCSA-N 1 0 249.354 2.477 20 10 BECDRO C[C@@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756657256 585322164 /nfs/dbraw/zinc/32/21/64/585322164.db2.gz BWEMGJSXVXUYCO-OYNCUSHFSA-N 1 0 239.290 2.050 20 10 BECDRO C[C@H](C[NH3+])N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000843052224 585332921 /nfs/dbraw/zinc/33/29/21/585332921.db2.gz PTRUSSXOUUWXNY-URWSZGRFSA-N 1 0 247.386 2.045 20 10 BECDRO CCOc1ccc(C[N@H+](C)C2CC2)c(O)c1 ZINC000768336364 585535708 /nfs/dbraw/zinc/53/57/08/585535708.db2.gz SGPSPKHSHAOXIR-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO COc1cccc(O)c1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000769448367 585556605 /nfs/dbraw/zinc/55/66/05/585556605.db2.gz MGPGVCQOYNFPHZ-QWRGUYRKSA-N 1 0 235.327 2.489 20 10 BECDRO OC[C@H]([NH2+]Cc1ccccc1O)c1ccsc1 ZINC000769936251 585566729 /nfs/dbraw/zinc/56/67/29/585566729.db2.gz VDMPVQKVEPTCEM-LBPRGKRZSA-N 1 0 249.335 2.277 20 10 BECDRO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccccc1O ZINC000775130782 585672615 /nfs/dbraw/zinc/67/26/15/585672615.db2.gz OGFBJROGSGCRHT-STQMWFEESA-N 1 0 248.370 2.385 20 10 BECDRO CCCN(Cc1cn[nH]c1)c1ccc(C[NH3+])cc1 ZINC000775140590 585672639 /nfs/dbraw/zinc/67/26/39/585672639.db2.gz MKPISCWXHGDDSV-UHFFFAOYSA-N 1 0 244.342 2.285 20 10 BECDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccccc1O ZINC000775136492 585672643 /nfs/dbraw/zinc/67/26/43/585672643.db2.gz KGWDRIPVNDWZIP-GXFFZTMASA-N 1 0 247.294 2.369 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2CCC2(C)C)c1 ZINC000775702991 585683284 /nfs/dbraw/zinc/68/32/84/585683284.db2.gz HGFXYAKVWJKKMB-UHFFFAOYSA-N 1 0 221.300 2.385 20 10 BECDRO CC(C)[N@@H+](Cc1cc(F)ccc1O)C[C@H](C)O ZINC000779013659 585744054 /nfs/dbraw/zinc/74/40/54/585744054.db2.gz HQWFAAILIXCDAZ-JTQLQIEISA-N 1 0 241.306 2.123 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000779202654 585747261 /nfs/dbraw/zinc/74/72/61/585747261.db2.gz RSCZILYRFRWFAD-OAHLLOKOSA-N 1 0 248.370 2.099 20 10 BECDRO CC[C@]1(O)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000779219354 585747480 /nfs/dbraw/zinc/74/74/80/585747480.db2.gz OBVDOGVSOYCDBX-HNNXBMFYSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1O ZINC000780893310 585785834 /nfs/dbraw/zinc/78/58/34/585785834.db2.gz WCXSXCUDTVXVFN-CHWSQXEVSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H](C)[C@@H](C)O1 ZINC000783738505 585841673 /nfs/dbraw/zinc/84/16/73/585841673.db2.gz WPPUDUOEXWEWPO-IJLUTSLNSA-N 1 0 235.327 2.390 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@]2(C)CO)c1O ZINC000789557762 585944123 /nfs/dbraw/zinc/94/41/23/585944123.db2.gz LTLFANYIDVPZAF-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO COc1ccc(O)c(C[NH+]2CC(C3CC3)C2)c1 ZINC000812775979 586584016 /nfs/dbraw/zinc/58/40/16/586584016.db2.gz QDPNAWNSDMLGRU-UHFFFAOYSA-N 1 0 233.311 2.243 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1O ZINC000812778175 586584043 /nfs/dbraw/zinc/58/40/43/586584043.db2.gz CKYJYVFKQBWPOZ-GFCCVEGCSA-N 1 0 235.327 2.046 20 10 BECDRO C[C@@H]([NH2+]Cc1ccccc1O)c1cc[nH]c(=O)c1 ZINC000815148364 586670587 /nfs/dbraw/zinc/67/05/87/586670587.db2.gz UQBIOSGYUDLJMT-SNVBAGLBSA-N 1 0 244.294 2.344 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCOC2)c(O)c1 ZINC000815597835 586688801 /nfs/dbraw/zinc/68/88/01/586688801.db2.gz HIDXXVKALOVINL-NEPJUHHUSA-N 1 0 235.327 2.449 20 10 BECDRO CC[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000816584645 586742928 /nfs/dbraw/zinc/74/29/28/586742928.db2.gz PFTXPXFZCVYYGS-ZDUSSCGKSA-N 1 0 245.322 2.406 20 10 BECDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000817289305 586793186 /nfs/dbraw/zinc/79/31/86/586793186.db2.gz WUKKNHJXYGENLJ-IUODEOHRSA-N 1 0 248.370 2.098 20 10 BECDRO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[NH2+]C2)cc1 ZINC000817944831 586845950 /nfs/dbraw/zinc/84/59/50/586845950.db2.gz NIOKQTMCNMVCLL-GXTWGEPZSA-N 1 0 247.386 2.155 20 10 BECDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccccc1O ZINC000817950062 586847029 /nfs/dbraw/zinc/84/70/29/586847029.db2.gz RKCIMZYHWXXODO-NEPJUHHUSA-N 1 0 234.343 2.185 20 10 BECDRO CC[NH2+]CCN[C@@H](C)c1ccc(C)c(C)c1O ZINC000817952005 586847500 /nfs/dbraw/zinc/84/75/00/586847500.db2.gz MSVGGXYXYAXLGH-LBPRGKRZSA-N 1 0 236.359 2.269 20 10 BECDRO Cc1cc(C)c([C@H](C)NC[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000817952212 586847664 /nfs/dbraw/zinc/84/76/64/586847664.db2.gz OOQXZHNEZTUBGC-STQMWFEESA-N 1 0 248.370 2.412 20 10 BECDRO Cc1ccc([C@H](C)NCC[NH2+]C2CC2)c(O)c1C ZINC000817952600 586848101 /nfs/dbraw/zinc/84/81/01/586848101.db2.gz GEXWWKSHKQDSML-LBPRGKRZSA-N 1 0 248.370 2.412 20 10 BECDRO CC[C@H](NCC[NH2+]C)c1cc(Cl)ccc1O ZINC000817953292 586848741 /nfs/dbraw/zinc/84/87/41/586848741.db2.gz ZFPKBVPPXQHBQE-NSHDSACASA-N 1 0 242.750 2.306 20 10 BECDRO Cc1ccc([C@@H](C)NC[C@@H]2CCC[NH2+]2)c(O)c1C ZINC000817952785 586849147 /nfs/dbraw/zinc/84/91/47/586849147.db2.gz SDLCHQQASVQIDQ-OLZOCXBDSA-N 1 0 248.370 2.412 20 10 BECDRO Cc1n[nH]cc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956228 586850135 /nfs/dbraw/zinc/85/01/35/586850135.db2.gz ULBUDMZSHMTBLF-JTQLQIEISA-N 1 0 244.342 2.194 20 10 BECDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCCOC1 ZINC000817957084 586850349 /nfs/dbraw/zinc/85/03/49/586850349.db2.gz ILQJPQFDPYTZOL-JSGCOSHPSA-N 1 0 248.370 2.216 20 10 BECDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)no1 ZINC000817956677 586850868 /nfs/dbraw/zinc/85/08/68/586850868.db2.gz ALZATLXPSRJCFD-LLVKDONJSA-N 1 0 245.326 2.459 20 10 BECDRO CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)cc1[O-] ZINC000817963022 586853203 /nfs/dbraw/zinc/85/32/03/586853203.db2.gz QHGPLHSMGRJHRC-CABZTGNLSA-N 1 0 240.322 2.167 20 10 BECDRO CCC[NH2+]CCN[C@@H](CC)c1ccccc1O ZINC000817963968 586854384 /nfs/dbraw/zinc/85/43/84/586854384.db2.gz ZISGQCGUKKISFZ-ZDUSSCGKSA-N 1 0 236.359 2.433 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN)c(O)c1C ZINC000817966770 586854749 /nfs/dbraw/zinc/85/47/49/586854749.db2.gz VGXMRLZTHDXYFS-KOLCDFICSA-N 1 0 222.332 2.007 20 10 BECDRO C[C@@H](CN)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817970303 586857543 /nfs/dbraw/zinc/85/75/43/586857543.db2.gz QYBINSFIGSBWSN-QWRGUYRKSA-N 1 0 248.370 2.269 20 10 BECDRO CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(Cl)c1[O-] ZINC000817973815 586860460 /nfs/dbraw/zinc/86/04/60/586860460.db2.gz WWAXPNMUEIRXSN-KCJUWKMLSA-N 1 0 242.750 2.434 20 10 BECDRO C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817978079 586861382 /nfs/dbraw/zinc/86/13/82/586861382.db2.gz VOSUFHRKNHQNNO-CSMHCCOUSA-N 1 0 244.285 2.057 20 10 BECDRO COc1cccc(O)c1C[NH2+][C@H]1CC12CC2 ZINC000818231073 586880602 /nfs/dbraw/zinc/88/06/02/586880602.db2.gz UPXRYJAULBPYBJ-LBPRGKRZSA-N 1 0 219.284 2.043 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C(C)C)C2COC2)c1 ZINC000824472350 587271428 /nfs/dbraw/zinc/27/14/28/587271428.db2.gz QWSKNVJSABMNQJ-UHFFFAOYSA-N 1 0 235.327 2.310 20 10 BECDRO CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1O ZINC000825005663 587298100 /nfs/dbraw/zinc/29/81/00/587298100.db2.gz PRXWTWDJEAOPIN-NSHDSACASA-N 1 0 245.326 2.459 20 10 BECDRO Cc1nnc(CN(C)Cc2cccc(C)c2O)o1 ZINC000827038924 587368585 /nfs/dbraw/zinc/36/85/85/587368585.db2.gz BXVIDFZXRVCCTG-UHFFFAOYSA-N 1 0 247.298 2.024 20 10 BECDRO Cc1cccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1O ZINC000827151985 587371452 /nfs/dbraw/zinc/37/14/52/587371452.db2.gz ONTBQQZFUSAJIF-RYUDHWBXSA-N 1 0 249.354 2.149 20 10 BECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1nccn1C ZINC000827722853 587399313 /nfs/dbraw/zinc/39/93/13/587399313.db2.gz XXBGDINWWCOPKV-SECBINFHSA-N 1 0 249.289 2.116 20 10 BECDRO C[C@@H](O)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039907 587779295 /nfs/dbraw/zinc/77/92/95/587779295.db2.gz MJPIFZWOKXTTSQ-DSYXLKISSA-N 1 0 248.370 2.126 20 10 BECDRO CN(C)c1ccc(/C=C\C[NH2+]CCCCO)cc1 ZINC000835055217 587779602 /nfs/dbraw/zinc/77/96/02/587779602.db2.gz XEFXLXDADIUSHZ-WAYWQWQTSA-N 1 0 248.370 2.128 20 10 BECDRO C[C@H](CO)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835053913 587779673 /nfs/dbraw/zinc/77/96/73/587779673.db2.gz QDZJIGZYAQCPCM-URWSZGRFSA-N 1 0 248.370 2.078 20 10 BECDRO Cc1ccc(O)c(CNc2[nH+]ccn2C)c1 ZINC000840887568 587927878 /nfs/dbraw/zinc/92/78/78/587927878.db2.gz LJFIXDGLYXRWGV-UHFFFAOYSA-N 1 0 217.272 2.046 20 10 BECDRO CC[C@@H](CO)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840940334 587928655 /nfs/dbraw/zinc/92/86/55/587928655.db2.gz XMVXOZHFEYKQSK-VIFPVBQESA-N 1 0 243.734 2.215 20 10 BECDRO COCC[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840909204 587929264 /nfs/dbraw/zinc/92/92/64/587929264.db2.gz CAZQYNQSHSIVSB-UHFFFAOYSA-N 1 0 243.734 2.432 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)N(C)C ZINC000840937781 587930972 /nfs/dbraw/zinc/93/09/72/587930972.db2.gz XUUGNOHGANMULL-CYBMUJFWSA-N 1 0 249.402 2.101 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CN(C)C ZINC000840947038 587931099 /nfs/dbraw/zinc/93/10/99/587931099.db2.gz ZQNKTIKVEUMGOS-ZDUSSCGKSA-N 1 0 249.402 2.101 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000840942345 587931267 /nfs/dbraw/zinc/93/12/67/587931267.db2.gz ZPUHVCIXAUDNHX-DOMZBBRYSA-N 1 0 248.370 2.016 20 10 BECDRO Cc1cc(O)c(C[N@H+](C)CCCO)c(Cl)c1 ZINC000840942375 587931350 /nfs/dbraw/zinc/93/13/50/587931350.db2.gz CQPUEFICWANRBN-UHFFFAOYSA-N 1 0 243.734 2.168 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1O ZINC000840977805 587932917 /nfs/dbraw/zinc/93/29/17/587932917.db2.gz KBBHAFVJGTXXJZ-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO CC(C)([NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841029889 587935939 /nfs/dbraw/zinc/93/59/39/587935939.db2.gz CKJNJFXHISMOKP-UHFFFAOYSA-N 1 0 246.713 2.012 20 10 BECDRO Cc1cccc(C[NH2+][C@H](CN)CC(C)C)c1O ZINC000841038469 587937436 /nfs/dbraw/zinc/93/74/36/587937436.db2.gz JZGOYFKMUAPOAM-ZDUSSCGKSA-N 1 0 236.359 2.164 20 10 BECDRO Cc1ncccc1C[NH2+]CCc1ccc(N)cc1 ZINC000841036539 587937721 /nfs/dbraw/zinc/93/77/21/587937721.db2.gz UOKLTSSPYDQXNU-UHFFFAOYSA-N 1 0 241.338 2.305 20 10 BECDRO CC[C@H]([NH3+])CNCc1ccc(N(CC)CC)cc1 ZINC000841070288 587942626 /nfs/dbraw/zinc/94/26/26/587942626.db2.gz NXVCJHPSIFILHG-AWEZNQCLSA-N 1 0 249.402 2.360 20 10 BECDRO Cc1cc(O)c(CN[C@H]2CCCC[NH2+]C2)cc1C ZINC000841089547 587945920 /nfs/dbraw/zinc/94/59/20/587945920.db2.gz IFBOIEOKIBVPKQ-AWEZNQCLSA-N 1 0 248.370 2.241 20 10 BECDRO Cc1cccc(CN2CC[C@]3(CCC[NH2+]3)C2)c1O ZINC000841105280 587946527 /nfs/dbraw/zinc/94/65/27/587946527.db2.gz HOKVJEXANMBDKN-OAHLLOKOSA-N 1 0 246.354 2.029 20 10 BECDRO C[C@H]([NH2+][C@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841752294 587973724 /nfs/dbraw/zinc/97/37/24/587973724.db2.gz SFVPVKIMUQBYDY-WPRPVWTQSA-N 1 0 241.718 2.485 20 10 BECDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(Cl)cc1O ZINC000841763967 587974694 /nfs/dbraw/zinc/97/46/94/587974694.db2.gz OPKROJXNXCOBLJ-MRVPVSSYSA-N 1 0 243.734 2.467 20 10 BECDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000841845830 587977383 /nfs/dbraw/zinc/97/73/83/587977383.db2.gz FSXXZTNFRXUXPC-JSGCOSHPSA-N 1 0 247.342 2.115 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CO[C@H](C)C2)cc1C ZINC000842774428 588062253 /nfs/dbraw/zinc/06/22/53/588062253.db2.gz HLJIGZHPSCRCGI-YPMHNXCESA-N 1 0 235.327 2.276 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CO[C@H](C)C2)cc1C ZINC000842774424 588062544 /nfs/dbraw/zinc/06/25/44/588062544.db2.gz HLJIGZHPSCRCGI-DGCLKSJQSA-N 1 0 235.327 2.276 20 10 BECDRO Cc1cc(O)c(CN(C)[C@@H](C)C[NH3+])c(Cl)c1 ZINC000843053126 588076715 /nfs/dbraw/zinc/07/67/15/588076715.db2.gz YRBHHUWYDJAPRE-VIFPVBQESA-N 1 0 242.750 2.133 20 10 BECDRO Cc1cc(O)c(CN2CC[NH2+]CC2(C)C)cc1C ZINC000843054526 588077341 /nfs/dbraw/zinc/07/73/41/588077341.db2.gz QQJJBWYSOZLJNM-UHFFFAOYSA-N 1 0 248.370 2.193 20 10 BECDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(C)ccc1O ZINC000843058626 588077932 /nfs/dbraw/zinc/07/79/32/588077932.db2.gz XNKWEYLEUGMLJE-CQSZACIVSA-N 1 0 248.370 2.275 20 10 BECDRO Nc1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000843125748 588084759 /nfs/dbraw/zinc/08/47/59/588084759.db2.gz HBXSRNTUQAPPCN-MISXGVKJSA-N 1 0 231.343 2.069 20 10 BECDRO CCN(CCC[NH2+]C)c1ccc(OC)cc1 ZINC000843357075 588103687 /nfs/dbraw/zinc/10/36/87/588103687.db2.gz BCIIULQZUNPXMJ-UHFFFAOYSA-N 1 0 222.332 2.131 20 10 BECDRO CCOc1ccc(C[NH2+]Cc2ccno2)c(O)c1 ZINC000843402847 588106419 /nfs/dbraw/zinc/10/64/19/588106419.db2.gz PTQFQOGCHQDQAG-UHFFFAOYSA-N 1 0 248.282 2.069 20 10 BECDRO COc1ccc(N(C)CC[N@H+](C)CCF)cc1 ZINC000844402073 588190305 /nfs/dbraw/zinc/19/03/05/588190305.db2.gz UDTCJWYMMFBXNN-UHFFFAOYSA-N 1 0 240.322 2.033 20 10 BECDRO C[C@@H](CCO)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000846113106 588257345 /nfs/dbraw/zinc/25/73/45/588257345.db2.gz ZHSIRBGUWCOZPH-VIFPVBQESA-N 1 0 243.734 2.248 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CCF)c(O)c1 ZINC000846209370 588260036 /nfs/dbraw/zinc/26/00/36/588260036.db2.gz QRXRFNPDEYNIRI-MNOVXSKESA-N 1 0 241.306 2.072 20 10 BECDRO CCc1cccc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)c1O ZINC000848891467 588417985 /nfs/dbraw/zinc/41/79/85/588417985.db2.gz YPFYFBSFSRJPNR-TZMCWYRMSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H]2COC)c1O ZINC000848914446 588420186 /nfs/dbraw/zinc/42/01/86/588420186.db2.gz NABWLIQPTDLMMG-CYBMUJFWSA-N 1 0 235.327 2.175 20 10 BECDRO CCc1cccc(C[NH+]2CC(C(C)(C)O)C2)c1O ZINC000848917564 588420918 /nfs/dbraw/zinc/42/09/18/588420918.db2.gz WCYZHFSHZNXOJM-UHFFFAOYSA-N 1 0 249.354 2.157 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H](C)C2(CO)CC2)cc1C ZINC000850360556 588540695 /nfs/dbraw/zinc/54/06/95/588540695.db2.gz GGAQOLWUNNDMBY-GFCCVEGCSA-N 1 0 249.354 2.260 20 10 BECDRO CC[C@@H](O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000850373114 588541430 /nfs/dbraw/zinc/54/14/30/588541430.db2.gz DHVIJDQYNQWHEZ-SECBINFHSA-N 1 0 243.734 2.215 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000850389053 588543155 /nfs/dbraw/zinc/54/31/55/588543155.db2.gz SLJPMYMLKRDUSK-UONOGXRCSA-N 1 0 247.338 2.094 20 10 BECDRO CC[C@@H]([NH2+]C/C=C\CO)c1ccc(C)cc1O ZINC000850507181 588553444 /nfs/dbraw/zinc/55/34/44/588553444.db2.gz DTJPKNCVGVYNMH-DSYXLKISSA-N 1 0 235.327 2.290 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]C/C=C/CO)c(O)c1 ZINC000850509091 588554547 /nfs/dbraw/zinc/55/45/47/588554547.db2.gz PBWLYZFYZJOKFS-ZYOFXKKJSA-N 1 0 235.327 2.208 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]C/C=C\CO)c(O)c1 ZINC000850509087 588554606 /nfs/dbraw/zinc/55/46/06/588554606.db2.gz PBWLYZFYZJOKFS-QMAVJUDZSA-N 1 0 235.327 2.208 20 10 BECDRO CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC000862441366 589213415 /nfs/dbraw/zinc/21/34/15/589213415.db2.gz QTIGBDONRHNCFK-TXEJJXNPSA-N 1 0 233.311 2.243 20 10 BECDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC000862441719 589213481 /nfs/dbraw/zinc/21/34/81/589213481.db2.gz UQOSPNVZBYZYDA-TXEJJXNPSA-N 1 0 233.311 2.243 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)CC2(C)COC2)c1 ZINC000862476579 589216564 /nfs/dbraw/zinc/21/65/64/589216564.db2.gz DFEJEBOFKVFFII-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO C/C=C/C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000862530369 589218357 /nfs/dbraw/zinc/21/83/57/589218357.db2.gz LDMFQSUQUDWRDQ-SNAWJCMRSA-N 1 0 237.299 2.075 20 10 BECDRO Cc1cc(O)c(CN[C@@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000863484175 589293119 /nfs/dbraw/zinc/29/31/19/589293119.db2.gz HPZDHJOGURHQET-TZMCWYRMSA-N 1 0 248.370 2.239 20 10 BECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccccc1O ZINC000863543345 589297246 /nfs/dbraw/zinc/29/72/46/589297246.db2.gz MWBXFUKVMVFMDQ-KGYLQXTDSA-N 1 0 234.343 2.183 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863545807 589298067 /nfs/dbraw/zinc/29/80/67/589298067.db2.gz HRRNOLHBWZJTGP-AVGNSLFASA-N 1 0 248.370 2.492 20 10 BECDRO CS[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000865733934 589459052 /nfs/dbraw/zinc/45/90/52/589459052.db2.gz AXSPILYSWMRQCS-XYPYZODXSA-N 1 0 223.341 2.376 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCC[C@H]1O)CC2 ZINC000866638540 589506608 /nfs/dbraw/zinc/50/66/08/589506608.db2.gz HYEGSPCEBXXGCB-RWMBFGLXSA-N 1 0 247.338 2.273 20 10 BECDRO CC[C@@H]([NH2+]CC(C)(C)CO)c1ccccc1O ZINC000122052813 589552025 /nfs/dbraw/zinc/55/20/25/589552025.db2.gz DFEXKDBKOXAVIC-GFCCVEGCSA-N 1 0 237.343 2.451 20 10 BECDRO CC(C)[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000123919641 589854974 /nfs/dbraw/zinc/85/49/74/589854974.db2.gz LYPLORRGCUVVAB-GFCCVEGCSA-N 1 0 243.734 2.152 20 10 BECDRO CCCOc1ccc(C[NH2+]C[C@H](C)O)cc1C ZINC000873006344 589978940 /nfs/dbraw/zinc/97/89/40/589978940.db2.gz FLUVAQDQXMKANS-LBPRGKRZSA-N 1 0 237.343 2.254 20 10 BECDRO CCCOc1ccc(C[NH2+]C2(CO)CC2)cc1C ZINC000873094798 589984463 /nfs/dbraw/zinc/98/44/63/589984463.db2.gz NVRYIUHVLYGCPU-UHFFFAOYSA-N 1 0 249.354 2.398 20 10 BECDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1C ZINC000873133055 589985599 /nfs/dbraw/zinc/98/55/99/589985599.db2.gz BQCKYTSXYNYACR-ZIAGYGMSSA-N 1 0 249.354 2.397 20 10 BECDRO COC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019904834 590040880 /nfs/dbraw/zinc/04/08/80/590040880.db2.gz KCAXRGHWDRRXJE-UWVGGRQHSA-N 1 0 239.315 2.086 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)COC)c1ccccc1O ZINC000019904908 590041040 /nfs/dbraw/zinc/04/10/40/590041040.db2.gz IBSWDDRGFXXXIS-JQWIXIFHSA-N 1 0 223.316 2.468 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000124806122 590090688 /nfs/dbraw/zinc/09/06/88/590090688.db2.gz PZONRKIWIFJMLV-ZDUSSCGKSA-N 1 0 246.354 2.027 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000876512688 590205797 /nfs/dbraw/zinc/20/57/97/590205797.db2.gz VZRBXRGWUGJIBP-TXEJJXNPSA-N 1 0 235.327 2.310 20 10 BECDRO CC[C@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000876560276 590215563 /nfs/dbraw/zinc/21/55/63/590215563.db2.gz JOFXVWUQSXESLF-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@H](N(C)C)C2)c(O)c1 ZINC000876678130 590229761 /nfs/dbraw/zinc/22/97/61/590229761.db2.gz BXTRHGPQQPTRBU-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO COC[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876726030 590233784 /nfs/dbraw/zinc/23/37/84/590233784.db2.gz TYAABGSNJQTSFJ-LBPRGKRZSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c(O)c1 ZINC000876748794 590237484 /nfs/dbraw/zinc/23/74/84/590237484.db2.gz FRMUARPXZOWQFC-JSGCOSHPSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1ccc(C[N@H+]2CCOC[C@H](C)C2)c(O)c1 ZINC000876752603 590237637 /nfs/dbraw/zinc/23/76/37/590237637.db2.gz UKESNVPJZJOWAP-GFCCVEGCSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC000876760514 590239083 /nfs/dbraw/zinc/23/90/83/590239083.db2.gz SNLICNRGTLJDNX-CQSZACIVSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)c1 ZINC000876789491 590241409 /nfs/dbraw/zinc/24/14/09/590241409.db2.gz CCGFYWSYRQITHL-HNNXBMFYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)c1 ZINC000876789493 590241415 /nfs/dbraw/zinc/24/14/15/590241415.db2.gz CCGFYWSYRQITHL-OAHLLOKOSA-N 1 0 247.338 2.313 20 10 BECDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1O ZINC000876881122 590252744 /nfs/dbraw/zinc/25/27/44/590252744.db2.gz BEBGHMZJLHEYQB-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H](C)Cn1cccn1 ZINC000876926951 590257907 /nfs/dbraw/zinc/25/79/07/590257907.db2.gz LXGLMKGCRUQXFX-GFCCVEGCSA-N 1 0 245.326 2.075 20 10 BECDRO COCCCC[NH2+]Cc1ccc(C)cc1O ZINC000876934738 590258517 /nfs/dbraw/zinc/25/85/17/590258517.db2.gz MJOCPPFOXRMYAU-UHFFFAOYSA-N 1 0 223.316 2.217 20 10 BECDRO COCCCC[NH2+]Cc1c(C)cccc1O ZINC000876934450 590258719 /nfs/dbraw/zinc/25/87/19/590258719.db2.gz HNPNEWSUMWMCQS-UHFFFAOYSA-N 1 0 223.316 2.217 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H]2CCCCO2)c(O)c1 ZINC000876972522 590263133 /nfs/dbraw/zinc/26/31/33/590263133.db2.gz VENRDBUOCBVKCK-ZDUSSCGKSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCc1nccs1 ZINC000876991715 590266138 /nfs/dbraw/zinc/26/61/38/590266138.db2.gz CXPHKKQAUWYRLP-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO Cc1ccc(C[NH2+]CCc2nccs2)c(O)c1 ZINC000876992201 590266513 /nfs/dbraw/zinc/26/65/13/590266513.db2.gz NKVXEVZINBODBK-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H](C)N(C)C2CC2)c(O)c1 ZINC000877024118 590270308 /nfs/dbraw/zinc/27/03/08/590270308.db2.gz QWAFENVSSGUSMR-LBPRGKRZSA-N 1 0 248.370 2.273 20 10 BECDRO CCc1cc(C[NH2+]Cc2ccc(C)cc2O)[nH]n1 ZINC000877034102 590272183 /nfs/dbraw/zinc/27/21/83/590272183.db2.gz YJSFDNWFDRMQPS-UHFFFAOYSA-N 1 0 245.326 2.276 20 10 BECDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(C)cc1O ZINC000877034841 590272340 /nfs/dbraw/zinc/27/23/40/590272340.db2.gz BTVJKMYCWSPAEV-AWEZNQCLSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000877056219 590275758 /nfs/dbraw/zinc/27/57/58/590275758.db2.gz QQYAHVYPWMGJOV-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H](CCO)C(C)C ZINC000877062882 590276538 /nfs/dbraw/zinc/27/65/38/590276538.db2.gz DSINMOAZPHRPIT-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO CO[C@H](C[NH2+]Cc1ccc(C)cc1O)C(C)C ZINC000877068317 590277316 /nfs/dbraw/zinc/27/73/16/590277316.db2.gz VEKKXJJNAHCGDD-CQSZACIVSA-N 1 0 237.343 2.461 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000877070782 590277495 /nfs/dbraw/zinc/27/74/95/590277495.db2.gz VYCZCQIMVSKMCC-CHWSQXEVSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000877070783 590277662 /nfs/dbraw/zinc/27/76/62/590277662.db2.gz VYCZCQIMVSKMCC-OLZOCXBDSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000877070921 590277717 /nfs/dbraw/zinc/27/77/17/590277717.db2.gz YUMXOBSNQCCHHA-OCCSQVGLSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCN1CCC[C@@H]1C ZINC000877154024 590293573 /nfs/dbraw/zinc/29/35/73/590293573.db2.gz LVAQDBGBNYFBFG-ZDUSSCGKSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1ccc(C[NH2+][C@]2(C)CCCOC2)c(O)c1 ZINC000877163892 590294610 /nfs/dbraw/zinc/29/46/10/590294610.db2.gz WCVWVKLNFPVMFV-CQSZACIVSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH2+]C2(CO)CCCCC2)c(O)c1 ZINC000877354922 590319269 /nfs/dbraw/zinc/31/92/69/590319269.db2.gz JMBTYNWOMJLZAS-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO Cc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c(O)c1 ZINC000877423951 590325528 /nfs/dbraw/zinc/32/55/28/590325528.db2.gz NSEMHCQOJRBEQH-OAHLLOKOSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c(O)c1 ZINC000877461859 590332061 /nfs/dbraw/zinc/33/20/61/590332061.db2.gz KZMMBYQSMCZFSA-CQSZACIVSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)c(O)c1 ZINC000877479695 590336922 /nfs/dbraw/zinc/33/69/22/590336922.db2.gz VWSXCWLGIZIBCR-YPMHNXCESA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(O)c1 ZINC000877489193 590339002 /nfs/dbraw/zinc/33/90/02/590339002.db2.gz LEVYPFAHFBPZJU-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(C[NH2+]CCN2CC=CCC2)c(O)c1 ZINC000877492011 590340176 /nfs/dbraw/zinc/34/01/76/590340176.db2.gz ZOTLPVDSCJJHLV-UHFFFAOYSA-N 1 0 246.354 2.052 20 10 BECDRO COCC(C)(C)C[NH2+]Cc1c(C)cccc1O ZINC000877547509 590353801 /nfs/dbraw/zinc/35/38/01/590353801.db2.gz ZCZDBMHYPXPNIQ-UHFFFAOYSA-N 1 0 237.343 2.463 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c(O)c1 ZINC000877553286 590355452 /nfs/dbraw/zinc/35/54/52/590355452.db2.gz MUJFARXLEFSBPU-DOMZBBRYSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](O)CC1 ZINC000877554555 590356173 /nfs/dbraw/zinc/35/61/73/590356173.db2.gz KGXDWXUWXRRMRK-LBPRGKRZSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[NH+]2CC3(CC3)C2)c(O)c1 ZINC000877555905 590356267 /nfs/dbraw/zinc/35/62/67/590356267.db2.gz GNULAKUEIWKWDD-UHFFFAOYSA-N 1 0 203.285 2.296 20 10 BECDRO Cc1ccc(C[N@H+](C2CC2)C2COC2)c(O)c1 ZINC000877557731 590358881 /nfs/dbraw/zinc/35/88/81/590358881.db2.gz PGOSIHFJZHVAGU-UHFFFAOYSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(O)c1 ZINC000877559467 590358931 /nfs/dbraw/zinc/35/89/31/590358931.db2.gz ODKWDDWWTPWOIH-LLVKDONJSA-N 1 0 209.264 2.244 20 10 BECDRO Cc1ccc(C[NH2+][C@H](C)CCCCO)c(O)c1 ZINC000877562446 590359658 /nfs/dbraw/zinc/35/96/58/590359658.db2.gz SQHZHWRQWWYUIS-GFCCVEGCSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877561389 590360254 /nfs/dbraw/zinc/36/02/54/590360254.db2.gz LWMYCIMVRNTZAJ-KGLIPLIRSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1nocc1C[NH2+]Cc1c(C)cccc1O ZINC000877563101 590360876 /nfs/dbraw/zinc/36/08/76/590360876.db2.gz HUUOQWMLJHIIPZ-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000877576485 590363720 /nfs/dbraw/zinc/36/37/20/590363720.db2.gz LLDHTGDOBALOMA-ZDUSSCGKSA-N 1 0 249.354 2.295 20 10 BECDRO COCC1(C)C[NH+](Cc2c(C)cccc2O)C1 ZINC000877582133 590365588 /nfs/dbraw/zinc/36/55/88/590365588.db2.gz JVQHTGQJFKRDNR-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(O)c1 ZINC000877586423 590367766 /nfs/dbraw/zinc/36/77/66/590367766.db2.gz DLBUIXHBKUGYDM-RYUDHWBXSA-N 1 0 235.352 2.390 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c(O)c1 ZINC000877593252 590369419 /nfs/dbraw/zinc/36/94/19/590369419.db2.gz QVXDAGJOGRIRDG-TZMCWYRMSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000877595156 590369730 /nfs/dbraw/zinc/36/97/30/590369730.db2.gz UAKHETPPBSMPIP-AAEUAGOBSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CC23CC3)c(O)c1 ZINC000877597459 590370894 /nfs/dbraw/zinc/37/08/94/590370894.db2.gz MSMXGXFDCAVPEO-GFCCVEGCSA-N 1 0 203.285 2.343 20 10 BECDRO Cc1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)c(O)c1 ZINC000877621325 590376120 /nfs/dbraw/zinc/37/61/20/590376120.db2.gz QOQZUWUBSMREDV-LLVKDONJSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c(O)c1 ZINC000877638025 590381659 /nfs/dbraw/zinc/38/16/59/590381659.db2.gz RKVOYVSJWOQJDO-ZIAGYGMSSA-N 1 0 247.338 2.169 20 10 BECDRO CCn1nccc1C[NH2+]Cc1ccc(C)cc1O ZINC000877643041 590383524 /nfs/dbraw/zinc/38/35/24/590383524.db2.gz AZVBZNHOACQMRH-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000877646880 590384218 /nfs/dbraw/zinc/38/42/18/590384218.db2.gz MNWQTTKHZAANSZ-AAEUAGOBSA-N 1 0 249.354 2.151 20 10 BECDRO Oc1cccc2c1C[N@H+](CC[C@H]1CCOC1)C2 ZINC000877702593 590396352 /nfs/dbraw/zinc/39/63/52/590396352.db2.gz CVJZGPVJHPHGEQ-NSHDSACASA-N 1 0 233.311 2.134 20 10 BECDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2O)CCN1C ZINC000877751193 590414562 /nfs/dbraw/zinc/41/45/62/590414562.db2.gz YABPYFXUJBRJEK-CQSZACIVSA-N 1 0 248.370 2.164 20 10 BECDRO CCn1cncc1C[NH2+][C@H](C)c1ccccc1O ZINC000877755423 590416907 /nfs/dbraw/zinc/41/69/07/590416907.db2.gz AVXOYHZLBHTJRD-LLVKDONJSA-N 1 0 245.326 2.459 20 10 BECDRO CC(C)[C@@H](O)CC[N@H+](C)Cc1ccccc1O ZINC000878242318 590528602 /nfs/dbraw/zinc/52/86/02/590528602.db2.gz OMENLGARRXRUJZ-ZDUSSCGKSA-N 1 0 237.343 2.231 20 10 BECDRO CC(C)(CCO)[NH2+]Cc1cc(Cl)ccc1O ZINC000127133682 590574217 /nfs/dbraw/zinc/57/42/17/590574217.db2.gz LGXHGCXHZIOLGZ-UHFFFAOYSA-N 1 0 243.734 2.296 20 10 BECDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)O1 ZINC000127710713 590757063 /nfs/dbraw/zinc/75/70/63/590757063.db2.gz QEUFPJFNRVWLFZ-IUODEOHRSA-N 1 0 248.370 2.410 20 10 BECDRO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879650264 590843030 /nfs/dbraw/zinc/84/30/30/590843030.db2.gz SKWRPKKTTFVKKB-YPMHNXCESA-N 1 0 237.343 2.450 20 10 BECDRO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1ccccc1O ZINC000879651355 590843507 /nfs/dbraw/zinc/84/35/07/590843507.db2.gz RWTBPIRIFNLSNN-IEHMKBBKSA-N 1 0 249.310 2.162 20 10 BECDRO C[NH2+]CCCN(C)Cc1c(O)cccc1Cl ZINC000128352014 591002266 /nfs/dbraw/zinc/00/22/66/591002266.db2.gz VWQVTQWJSQHMLG-UHFFFAOYSA-N 1 0 242.750 2.087 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883122380 591543779 /nfs/dbraw/zinc/54/37/79/591543779.db2.gz LPQNEFOQYMLFRJ-HTQZYQBOSA-N 1 0 245.269 2.183 20 10 BECDRO CCN1CC[C@H]1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000883360339 591630455 /nfs/dbraw/zinc/63/04/55/591630455.db2.gz APVBHZCVHMVYHM-AWEZNQCLSA-N 1 0 248.370 2.193 20 10 BECDRO CCOC1CC[NH+](Cc2ccccc2O)CC1 ZINC000132464395 591709719 /nfs/dbraw/zinc/70/97/19/591709719.db2.gz RLTPLOIAQVOBJT-UHFFFAOYSA-N 1 0 235.327 2.393 20 10 BECDRO CC[C@@H](C)[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000133814805 591860783 /nfs/dbraw/zinc/86/07/83/591860783.db2.gz LNOXWKCPXCQAPB-CYBMUJFWSA-N 1 0 248.370 2.308 20 10 BECDRO COCCCCN1CCCc2cc(C[NH3+])ccc21 ZINC000135294851 592003849 /nfs/dbraw/zinc/00/38/49/592003849.db2.gz NNMICZVWHNTCJJ-UHFFFAOYSA-N 1 0 248.370 2.325 20 10 BECDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1O ZINC000301028778 592526840 /nfs/dbraw/zinc/52/68/40/592526840.db2.gz TYBUBGYWOKXADC-JTQLQIEISA-N 1 0 223.316 2.295 20 10 BECDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000223660151 592537771 /nfs/dbraw/zinc/53/77/71/592537771.db2.gz OKWOUWRPLFZERB-RYUDHWBXSA-N 1 0 237.343 2.450 20 10 BECDRO c1csc(SCC[NH+]2CCCC2)n1 ZINC000308339376 631293528 /nfs/dbraw/zinc/29/35/28/631293528.db2.gz QAZUMQZSQOSIPX-UHFFFAOYSA-N 1 0 214.359 2.331 20 10 BECDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000934114646 631690812 /nfs/dbraw/zinc/69/08/12/631690812.db2.gz UZCHRRDPHWLWFD-LSDHHAIUSA-N 1 0 248.370 2.362 20 10 BECDRO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccccc1O ZINC000309511043 632433071 /nfs/dbraw/zinc/43/30/71/632433071.db2.gz XHOVETKKLXUUAS-UWVGGRQHSA-N 1 0 223.316 2.202 20 10 BECDRO OCC1([NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000053045579 632557016 /nfs/dbraw/zinc/55/70/16/632557016.db2.gz IAGQQMWTZLBDLL-UHFFFAOYSA-N 1 0 247.338 2.016 20 10 BECDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000309817275 632672526 /nfs/dbraw/zinc/67/25/26/632672526.db2.gz VMVCDXCITRAZLR-GZMMTYOYSA-N 1 0 241.331 2.372 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1O ZINC000310736286 632926624 /nfs/dbraw/zinc/92/66/24/632926624.db2.gz PINJLIGUOYNYOD-TZMCWYRMSA-N 1 0 249.354 2.341 20 10 BECDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2O)O1 ZINC000162939974 633042123 /nfs/dbraw/zinc/04/21/23/633042123.db2.gz ULVKZBYNQVIVNK-JQWIXIFHSA-N 1 0 221.300 2.049 20 10 BECDRO CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311112396 633067950 /nfs/dbraw/zinc/06/79/50/633067950.db2.gz WYRVNFBPIQLAHK-DOMZBBRYSA-N 1 0 249.354 2.376 20 10 BECDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168795807 633148997 /nfs/dbraw/zinc/14/89/97/633148997.db2.gz YHHRWYPPCYMSFO-KOLCDFICSA-N 1 0 241.306 2.343 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@H](CO)CC2)c1O ZINC000294081435 633751310 /nfs/dbraw/zinc/75/13/10/633751310.db2.gz QZJLYEXRHCOHAD-ZDUSSCGKSA-N 1 0 249.354 2.295 20 10 BECDRO COc1cccc(O)c1C[NH2+][C@H](C)C1CC1 ZINC000309878450 633890212 /nfs/dbraw/zinc/89/02/12/633890212.db2.gz UKCYLZCVKSBYFX-SECBINFHSA-N 1 0 221.300 2.289 20 10 BECDRO CC[C@@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000309445157 633920737 /nfs/dbraw/zinc/92/07/37/633920737.db2.gz JNWKYZYBYMOOHF-CYBMUJFWSA-N 1 0 221.300 2.051 20 10 BECDRO CC[C@H]([NH2+]CCCO)c1cc(Cl)ccc1O ZINC000310012782 634071046 /nfs/dbraw/zinc/07/10/46/634071046.db2.gz JGQXNYCHHNBUFX-NSHDSACASA-N 1 0 243.734 2.469 20 10 BECDRO CC[C@H]([NH2+]CCOC)c1ccc(C)cc1O ZINC000310035433 634099273 /nfs/dbraw/zinc/09/92/73/634099273.db2.gz TYGPDVRWNBMJCU-LBPRGKRZSA-N 1 0 223.316 2.388 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)CC2 ZINC000297526724 634236845 /nfs/dbraw/zinc/23/68/45/634236845.db2.gz DIEUXQYWOHSPBK-CZXHOFHRSA-N 1 0 245.322 2.289 20 10 BECDRO C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000005066617 635197564 /nfs/dbraw/zinc/19/75/64/635197564.db2.gz VNNZMNLBBBKVPM-JTQLQIEISA-N 1 0 249.310 2.353 20 10 BECDRO COc1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC000258958776 635229817 /nfs/dbraw/zinc/22/98/17/635229817.db2.gz KTVFHTUIDUWPID-ZIAGYGMSSA-N 1 0 248.370 2.363 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840955250 635385826 /nfs/dbraw/zinc/38/58/26/635385826.db2.gz SPDYJKYLLNUAHD-OAHLLOKOSA-N 1 0 247.338 2.393 20 10 BECDRO Cc1noc(C)c1C[NH2+]CCc1ccc(N)cc1 ZINC000261551958 635497857 /nfs/dbraw/zinc/49/78/57/635497857.db2.gz DZMVDMFJILTXTF-UHFFFAOYSA-N 1 0 245.326 2.206 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccccc1O ZINC000040671897 636938467 /nfs/dbraw/zinc/93/84/67/636938467.db2.gz WZAQRKGGENTEPD-NWDGAFQWSA-N 1 0 234.343 2.137 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCOC1)CC2 ZINC000311106701 639533393 /nfs/dbraw/zinc/53/33/93/639533393.db2.gz VLMGSBRLZJDITP-YPMHNXCESA-N 1 0 247.338 2.396 20 10 BECDRO CCC[C@](C)(CO)[NH2+]Cc1ccccc1O ZINC000164163119 640452040 /nfs/dbraw/zinc/45/20/40/640452040.db2.gz LWIPXWUTXATGLQ-CYBMUJFWSA-N 1 0 223.316 2.033 20 10 BECDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000164600260 640493368 /nfs/dbraw/zinc/49/33/68/640493368.db2.gz DFFDJEIAFWAPAS-IUCAKERBSA-N 1 0 243.734 2.295 20 10 BECDRO Oc1ccccc1C[NH2+]CCCCn1ccnc1 ZINC000045094476 640504323 /nfs/dbraw/zinc/50/43/23/640504323.db2.gz GONDUBRWANPAMV-UHFFFAOYSA-N 1 0 245.326 2.159 20 10 BECDRO CC[NH+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000156919932 640519489 /nfs/dbraw/zinc/51/94/89/640519489.db2.gz NGPBBJXMICSFNL-UHFFFAOYSA-N 1 0 248.370 2.365 20 10 BECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cn[nH]c1 ZINC000229882145 640990311 /nfs/dbraw/zinc/99/03/11/640990311.db2.gz URFBCSRRWMEDGQ-JTQLQIEISA-N 1 0 243.310 2.195 20 10 BECDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230150748 641032241 /nfs/dbraw/zinc/03/22/41/641032241.db2.gz XLEMKDIQRUDQMK-NHYWBVRUSA-N 1 0 247.338 2.279 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000230164775 641035390 /nfs/dbraw/zinc/03/53/90/641035390.db2.gz OTSKRRNTLXIASN-LBPRGKRZSA-N 1 0 235.327 2.217 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000230393256 641048923 /nfs/dbraw/zinc/04/89/23/641048923.db2.gz PWPQTUPGRJBKTB-JTQLQIEISA-N 1 0 239.290 2.048 20 10 BECDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1O ZINC000230410547 641052363 /nfs/dbraw/zinc/05/23/63/641052363.db2.gz LLDKQIUDHDZUJX-NEPJUHHUSA-N 1 0 235.327 2.469 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@H](O)C2)c1 ZINC000230670871 641077868 /nfs/dbraw/zinc/07/78/68/641077868.db2.gz FPIRVPAJNPUPBN-JSGCOSHPSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1 ZINC000230670868 641078007 /nfs/dbraw/zinc/07/80/07/641078007.db2.gz FPIRVPAJNPUPBN-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000230669381 641078585 /nfs/dbraw/zinc/07/85/85/641078585.db2.gz LKAILHMVPJLVDQ-AAEUAGOBSA-N 1 0 235.327 2.033 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000230669376 641078752 /nfs/dbraw/zinc/07/87/52/641078752.db2.gz LKAILHMVPJLVDQ-WCQYABFASA-N 1 0 235.327 2.033 20 10 BECDRO COC1CC([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000230690087 641086907 /nfs/dbraw/zinc/08/69/07/641086907.db2.gz XZQJMRYKLGOHPN-UHFFFAOYSA-N 1 0 234.343 2.020 20 10 BECDRO Cc1cccc(C[NH2+]CC2(CO)CCCC2)c1O ZINC000158826115 641653121 /nfs/dbraw/zinc/65/31/21/641653121.db2.gz GRYYUMBIOLHYGD-UHFFFAOYSA-N 1 0 249.354 2.343 20 10 BECDRO COCC1=CC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000187622866 641716447 /nfs/dbraw/zinc/71/64/47/641716447.db2.gz PFBJKZBAHMZJMG-UHFFFAOYSA-N 1 0 247.338 2.479 20 10 BECDRO COC[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000754740964 641815189 /nfs/dbraw/zinc/81/51/89/641815189.db2.gz KACMZVQGIBQHOK-ZDUSSCGKSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC2(CCO)CC2)cc1C ZINC000190002940 641828931 /nfs/dbraw/zinc/82/89/31/641828931.db2.gz VQECFHLIOMMNKQ-UHFFFAOYSA-N 1 0 249.354 2.261 20 10 BECDRO CC[C@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000077453339 641857436 /nfs/dbraw/zinc/85/74/36/641857436.db2.gz CCNPPSJZOIFHBY-CYBMUJFWSA-N 1 0 236.359 2.003 20 10 BECDRO COc1ccc(N(C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000089749353 642125363 /nfs/dbraw/zinc/12/53/63/642125363.db2.gz QWMYTXIDZCQXFM-GFCCVEGCSA-N 1 0 234.343 2.131 20 10 BECDRO CN(CC[NH2+]Cc1ccccc1O)C1CCCC1 ZINC000071376628 642456170 /nfs/dbraw/zinc/45/61/70/642456170.db2.gz RVGDBJTXLNZWPS-UHFFFAOYSA-N 1 0 248.370 2.356 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000181063719 642834765 /nfs/dbraw/zinc/83/47/65/642834765.db2.gz HZVYBBZCSPBYPK-UGFHNGPFSA-N 1 0 248.370 2.317 20 10 BECDRO C[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc(N(C)C)cc1 ZINC000071301718 643128988 /nfs/dbraw/zinc/12/89/88/643128988.db2.gz JVTCQOHUZMRBJI-ABAIWWIYSA-N 1 0 248.370 2.174 20 10 BECDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000183509633 643140268 /nfs/dbraw/zinc/14/02/68/643140268.db2.gz KPNVJPJMJLQDFM-BXUZGUMPSA-N 1 0 237.343 2.450 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cn[nH]c1 ZINC000734511419 643500977 /nfs/dbraw/zinc/50/09/77/643500977.db2.gz AWOHYWUVECTFPS-UHFFFAOYSA-N 1 0 244.342 2.074 20 10 BECDRO COc1cccc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1O ZINC000816647592 643554309 /nfs/dbraw/zinc/55/43/09/643554309.db2.gz VIQPEGIBVJQPLD-UWVGGRQHSA-N 1 0 221.300 2.241 20 10 BECDRO COc1ccc(N(C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000049969891 643573974 /nfs/dbraw/zinc/57/39/74/643573974.db2.gz BGSVQOHTVAAQNQ-GFCCVEGCSA-N 1 0 234.343 2.131 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@](C)(O)C(C)C)c1 ZINC000304073167 643588861 /nfs/dbraw/zinc/58/88/61/643588861.db2.gz WDOSTGWGCHHFKO-AWEZNQCLSA-N 1 0 237.343 2.197 20 10 BECDRO CCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921734370 643766711 /nfs/dbraw/zinc/76/67/11/643766711.db2.gz VUWPXHRHOQTUSK-AWEZNQCLSA-N 1 0 249.354 2.262 20 10 BECDRO CC[C@@H](O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921850258 643808876 /nfs/dbraw/zinc/80/88/76/643808876.db2.gz FMNKNXLSOPAFPD-CQSZACIVSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@@H](O)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922073483 643859068 /nfs/dbraw/zinc/85/90/68/643859068.db2.gz IPSGPMPSZLQBOP-GFCCVEGCSA-N 1 0 249.354 2.262 20 10 BECDRO O[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922173046 643889479 /nfs/dbraw/zinc/88/94/79/643889479.db2.gz WONFPOYSCRGSIB-ZIAGYGMSSA-N 1 0 247.338 2.015 20 10 BECDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922264949 643935095 /nfs/dbraw/zinc/93/50/95/643935095.db2.gz ZBNACBAAEMQAEL-CABCVRRESA-N 1 0 247.338 2.279 20 10 BECDRO CCOCCCN1CCCc2cc(C[NH3+])ccc21 ZINC000087325460 644489435 /nfs/dbraw/zinc/48/94/35/644489435.db2.gz YMVGYTYECKDVBV-UHFFFAOYSA-N 1 0 248.370 2.325 20 10 BECDRO COc1cccc(O)c1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000769488853 644682450 /nfs/dbraw/zinc/68/24/50/644682450.db2.gz RWCKFEMWMHLMQD-TXEJJXNPSA-N 1 0 247.338 2.489 20 10 BECDRO COC[C@H]1CC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000840083735 644857652 /nfs/dbraw/zinc/85/76/52/644857652.db2.gz QWBNBYPEOOHSNO-CYBMUJFWSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1C ZINC000304282193 644885506 /nfs/dbraw/zinc/88/55/06/644885506.db2.gz DZIOQYNQNXVKLU-GXTWGEPZSA-N 1 0 249.354 2.260 20 10 BECDRO CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981151 644994728 /nfs/dbraw/zinc/99/47/28/644994728.db2.gz ZMOILFZPGXGTPP-APPZFPTMSA-N 1 0 244.285 2.058 20 10 BECDRO CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981153 644995087 /nfs/dbraw/zinc/99/50/87/644995087.db2.gz ZMOILFZPGXGTPP-IONNQARKSA-N 1 0 244.285 2.058 20 10 BECDRO Oc1cccc2c1[C@H](N[C@@H]1CCCC[NH2+]C1)CC2 ZINC000817984044 644995253 /nfs/dbraw/zinc/99/52/53/644995253.db2.gz MDDCUMRJULRZKF-CHWSQXEVSA-N 1 0 246.354 2.111 20 10 BECDRO C[C@H](O)C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835047252 645163658 /nfs/dbraw/zinc/16/36/58/645163658.db2.gz DQIYCDNMHYPUFV-SZZPACECSA-N 1 0 248.370 2.078 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](CO)C2)c(O)c1C ZINC000927145702 645570092 /nfs/dbraw/zinc/57/00/92/645570092.db2.gz BBOYVTAVFCXREJ-AVGNSLFASA-N 1 0 249.354 2.431 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@H](CO)C2)c(O)c1 ZINC000927148547 645572984 /nfs/dbraw/zinc/57/29/84/645572984.db2.gz SBHXIYBMSYBSIJ-AVGNSLFASA-N 1 0 249.354 2.431 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC=CO1 ZINC000877459588 645797511 /nfs/dbraw/zinc/79/75/11/645797511.db2.gz LHSYTUBGKQCWNE-LBPRGKRZSA-N 1 0 233.311 2.483 20 10 BECDRO Cc1cc(C[NH2+][C@H]2COC[C@H]2C)ccc1N(C)C ZINC000925434480 646281641 /nfs/dbraw/zinc/28/16/41/646281641.db2.gz LJEOUXZMKAYRIM-OCCSQVGLSA-N 1 0 248.370 2.186 20 10 BECDRO C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cc1[O-] ZINC000925738242 646460619 /nfs/dbraw/zinc/46/06/19/646460619.db2.gz OTTMLMSTBNFXLB-SECBINFHSA-N 1 0 240.322 2.309 20 10 BECDRO Cc1cc(C)c([C@H](C)N[C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000925787107 646483602 /nfs/dbraw/zinc/48/36/02/646483602.db2.gz WRJMDMNKAZQTGQ-FRRDWIJNSA-N 1 0 248.370 2.268 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H](C)O ZINC000395699432 711696998 /nfs/dbraw/zinc/69/69/98/711696998.db2.gz KQRPVAVRWVTZPU-YPMHNXCESA-N 1 0 237.343 2.253 20 10 BECDRO Cc1cccc(C[NH2+][C@](C)(CO)C(C)C)c1O ZINC000398527957 711711082 /nfs/dbraw/zinc/71/10/82/711711082.db2.gz WECKERNRYHASGN-CQSZACIVSA-N 1 0 237.343 2.197 20 10 BECDRO CCC[C@@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000716815456 712576521 /nfs/dbraw/zinc/57/65/21/712576521.db2.gz RMXHNZFMNMYSNQ-LBPRGKRZSA-N 1 0 241.306 2.172 20 10 BECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cccc(C)c1O ZINC000716813984 712576226 /nfs/dbraw/zinc/57/62/26/712576226.db2.gz JIVIAEANYLDFNS-DGCLKSJQSA-N 1 0 237.343 2.340 20 10 BECDRO COc1ccc(N(C)C[C@H]([NH3+])CC(F)F)cc1 ZINC000383319926 710980043 /nfs/dbraw/zinc/98/00/43/710980043.db2.gz CFIOYCLPAOJHGD-SECBINFHSA-N 1 0 244.285 2.114 20 10 BECDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@H](C)O ZINC000386945760 711038825 /nfs/dbraw/zinc/03/88/25/711038825.db2.gz WNWXRDPQXKLVDF-PTRXPTGYSA-N 1 0 241.306 2.341 20 10 BECDRO C[C@@H](F)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000393496242 711161860 /nfs/dbraw/zinc/16/18/60/711161860.db2.gz RVMMQBKVFHWCNK-SNVBAGLBSA-N 1 0 223.291 2.459 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)C(C)C)c1 ZINC000394017845 711181408 /nfs/dbraw/zinc/18/14/08/711181408.db2.gz AAIKFAUVKNJMAT-CYBMUJFWSA-N 1 0 237.343 2.055 20 10 BECDRO COCCCC[N@H+](C)Cc1cc(F)ccc1O ZINC000397088607 711377057 /nfs/dbraw/zinc/37/70/57/711377057.db2.gz GSRMXLVRALYLQE-UHFFFAOYSA-N 1 0 241.306 2.390 20 10 BECDRO Cc1nocc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000397957205 711397701 /nfs/dbraw/zinc/39/77/01/711397701.db2.gz SFRCNUZEOPEHBJ-UHFFFAOYSA-N 1 0 244.294 2.208 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1O ZINC000398020196 711398838 /nfs/dbraw/zinc/39/88/38/711398838.db2.gz CQBIMQCUNRHWRV-DGCLKSJQSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1O ZINC000398020198 711399385 /nfs/dbraw/zinc/39/93/85/711399385.db2.gz CQBIMQCUNRHWRV-YPMHNXCESA-N 1 0 235.327 2.358 20 10 BECDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000398238831 711405472 /nfs/dbraw/zinc/40/54/72/711405472.db2.gz XSHNJCHDDLCTPQ-BXUZGUMPSA-N 1 0 247.338 2.279 20 10 BECDRO Cc1nc(C)c(C[NH2+]Cc2ccccc2O)o1 ZINC000383185048 710979048 /nfs/dbraw/zinc/97/90/48/710979048.db2.gz QQBZQXQCAUWZSD-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO COc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)cc1C ZINC000386502528 711031228 /nfs/dbraw/zinc/03/12/28/711031228.db2.gz LHIHYBBAXBLIEG-OAHLLOKOSA-N 1 0 249.354 2.254 20 10 BECDRO C[C@@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000386582334 711032680 /nfs/dbraw/zinc/03/26/80/711032680.db2.gz AHOYXCYSYXKCLS-IUODEOHRSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000386582333 711032785 /nfs/dbraw/zinc/03/27/85/711032785.db2.gz AHOYXCYSYXKCLS-DOMZBBRYSA-N 1 0 247.338 2.130 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)nn1 ZINC000396724872 711369610 /nfs/dbraw/zinc/36/96/10/711369610.db2.gz YDWGSTGTBBANRZ-NSHDSACASA-N 1 0 243.310 2.341 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1 ZINC000397241839 711379341 /nfs/dbraw/zinc/37/93/41/711379341.db2.gz RYYVTLSJEGPJQN-OAHLLOKOSA-N 1 0 248.370 2.269 20 10 BECDRO C[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000397193154 711379807 /nfs/dbraw/zinc/37/98/07/711379807.db2.gz QKMOHRZLKLKIKN-ZDUSSCGKSA-N 1 0 239.290 2.048 20 10 BECDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000397833385 711393337 /nfs/dbraw/zinc/39/33/37/711393337.db2.gz NUGQSQTXMKQAOP-GWCFXTLKSA-N 1 0 249.379 2.463 20 10 BECDRO CC(C)N(C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000386450982 711556732 /nfs/dbraw/zinc/55/67/32/711556732.db2.gz DQAYUEIGMZAWBW-CYBMUJFWSA-N 1 0 248.370 2.309 20 10 BECDRO COC(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000382398689 711601422 /nfs/dbraw/zinc/60/14/22/711601422.db2.gz KACSXYYTPIHNEO-LLVKDONJSA-N 1 0 235.327 2.394 20 10 BECDRO CCOCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936234 711738655 /nfs/dbraw/zinc/73/86/55/711738655.db2.gz HEHMOUWRVRJMAH-UHFFFAOYSA-N 1 0 236.359 2.187 20 10 BECDRO [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000925879569 711762034 /nfs/dbraw/zinc/76/20/34/711762034.db2.gz IAYZZKQHDZPCJY-UHTWSYAYSA-N 1 0 246.354 2.097 20 10 BECDRO CC[C@@H](C)C[NH2+]CCc1ccc(N)cc1 ZINC000054488637 711795794 /nfs/dbraw/zinc/79/57/94/711795794.db2.gz QOODXSIKGBKUIB-LLVKDONJSA-N 1 0 206.333 2.447 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1O ZINC000164736360 711825135 /nfs/dbraw/zinc/82/51/35/711825135.db2.gz NDLPHHMAKNRBAM-WCQYABFASA-N 1 0 235.327 2.215 20 10 BECDRO COC1CC(C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000703139449 712067000 /nfs/dbraw/zinc/06/70/00/712067000.db2.gz YDUHMMGKLADTIL-VOMCLLRMSA-N 1 0 235.327 2.468 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](COC)C2)c1O ZINC000709309204 712219391 /nfs/dbraw/zinc/21/93/91/712219391.db2.gz SOJZBSZDYDMACZ-LBPRGKRZSA-N 1 0 249.354 2.423 20 10 BECDRO CCc1cccc(C[NH2+]C[C@@H](C)OC)c1O ZINC000709399292 712220801 /nfs/dbraw/zinc/22/08/01/712220801.db2.gz FAXHNTABFODZTF-SNVBAGLBSA-N 1 0 223.316 2.079 20 10 BECDRO CCc1cccc(C[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000709395917 712220814 /nfs/dbraw/zinc/22/08/14/712220814.db2.gz CCBFPFFEUAQIPF-CQSZACIVSA-N 1 0 249.354 2.205 20 10 BECDRO CCc1cccc(C[NH2+]CC2(O)CCCC2)c1O ZINC000709405918 712220994 /nfs/dbraw/zinc/22/09/94/712220994.db2.gz JFJXEDYJWNWLTJ-UHFFFAOYSA-N 1 0 249.354 2.349 20 10 BECDRO CCc1cccc(C[NH2+][C@H](CO)C(C)C)c1O ZINC000709420202 712221344 /nfs/dbraw/zinc/22/13/44/712221344.db2.gz XMJOMMKUMNEMJS-CYBMUJFWSA-N 1 0 237.343 2.061 20 10 BECDRO CCOCC[NH2+]Cc1cccc(CC)c1O ZINC000709406653 712221470 /nfs/dbraw/zinc/22/14/70/712221470.db2.gz OEVQDQQZPHJWFI-UHFFFAOYSA-N 1 0 223.316 2.081 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(CO)CC1 ZINC000710158021 712246435 /nfs/dbraw/zinc/24/64/35/712246435.db2.gz FRKRNDGRJUHBCX-GFCCVEGCSA-N 1 0 248.370 2.003 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H](CF)C2)c1O ZINC000711492874 712307556 /nfs/dbraw/zinc/30/75/56/712307556.db2.gz UYYWTAVOTGHYMR-NSHDSACASA-N 1 0 223.291 2.492 20 10 BECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C=CCC2)c1 ZINC000711779824 712329247 /nfs/dbraw/zinc/32/92/47/712329247.db2.gz XGWPLWZDXSPVMZ-LLVKDONJSA-N 1 0 233.311 2.457 20 10 BECDRO CC[C@]1([NH2+]Cc2cccc(C)c2O)CCOC1 ZINC000378747195 712359009 /nfs/dbraw/zinc/35/90/09/712359009.db2.gz MLAYYDGYMXQUAK-AWEZNQCLSA-N 1 0 235.327 2.359 20 10 BECDRO CC[C@]1([NH2+]Cc2ccc(N(C)C)cc2)CCOC1 ZINC000378837514 712362774 /nfs/dbraw/zinc/36/27/74/712362774.db2.gz WDEDAUVZVZMIEF-HNNXBMFYSA-N 1 0 248.370 2.411 20 10 BECDRO CC[C@@H]([NH2+]C[C@H]1CCN1C)c1ccccc1O ZINC000712586926 712434946 /nfs/dbraw/zinc/43/49/46/712434946.db2.gz PQDPYUACBDYVPF-DGCLKSJQSA-N 1 0 234.343 2.137 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H]2CCN2CC)c1O ZINC000712614502 712438127 /nfs/dbraw/zinc/43/81/27/712438127.db2.gz MJOHCJZIHMMYPF-CQSZACIVSA-N 1 0 248.370 2.138 20 10 BECDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000712561569 712445735 /nfs/dbraw/zinc/44/57/35/712445735.db2.gz CZBVVZGBDGADGH-VXGBXAGGSA-N 1 0 234.343 2.137 20 10 BECDRO C=C/C=C/CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000713494168 712462409 /nfs/dbraw/zinc/46/24/09/712462409.db2.gz DJOYTJYZBXVQRZ-ONEGZZNKSA-N 1 0 247.294 2.343 20 10 BECDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](COC)C2)c1O ZINC000714476504 712491710 /nfs/dbraw/zinc/49/17/10/712491710.db2.gz HFSKPMDQIVESLS-VDISTLRHSA-N 1 0 249.354 2.469 20 10 BECDRO c1cc(C[NH2+][C@@H]2CC23CC3)cc2c1OCC2 ZINC000715305771 712515658 /nfs/dbraw/zinc/51/56/58/712515658.db2.gz WHJJAAVVRUXINX-CYBMUJFWSA-N 1 0 215.296 2.264 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715476027 712520823 /nfs/dbraw/zinc/52/08/23/712520823.db2.gz ZTAWBPIGAPZWFW-HIFRSBDPSA-N 1 0 247.338 2.439 20 10 BECDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037196162 712552414 /nfs/dbraw/zinc/55/24/14/712552414.db2.gz LDTFCRLLDNXTPU-NEPJUHHUSA-N 1 0 236.359 2.438 20 10 BECDRO COCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037232391 712554735 /nfs/dbraw/zinc/55/47/35/712554735.db2.gz ADDCEQSAQBQUKU-GFCCVEGCSA-N 1 0 236.359 2.440 20 10 BECDRO COc1ccc(C[NH2+][C@@H](CO)C2CCC2)cc1C ZINC000717615722 712662276 /nfs/dbraw/zinc/66/22/76/712662276.db2.gz JWTKTUAOCSZJQC-AWEZNQCLSA-N 1 0 249.354 2.254 20 10 BECDRO OC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCC1 ZINC000717617515 712662761 /nfs/dbraw/zinc/66/27/61/712662761.db2.gz ZSVPGEGCCYPXSB-OLZOCXBDSA-N 1 0 247.338 2.130 20 10 BECDRO CC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCOC1 ZINC000380145667 712699652 /nfs/dbraw/zinc/69/96/52/712699652.db2.gz HIWDABSOVGNBSB-LBPRGKRZSA-N 1 0 239.290 2.142 20 10 BECDRO C/C=C/C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000384931615 712705489 /nfs/dbraw/zinc/70/54/89/712705489.db2.gz SNWFKXYCPNXMPQ-SNAWJCMRSA-N 1 0 204.317 2.418 20 10 BECDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1C ZINC000719648744 712820715 /nfs/dbraw/zinc/82/07/15/712820715.db2.gz RRJHJAQFKUCSQQ-RAIGVLPGSA-N 1 0 246.354 2.062 20 10 BECDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000380240610 712843330 /nfs/dbraw/zinc/84/33/30/712843330.db2.gz NDUGCIUPLNPXRR-CMPLNLGQSA-N 1 0 223.341 2.376 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c(O)c1 ZINC000720938492 712880354 /nfs/dbraw/zinc/88/03/54/712880354.db2.gz BFBRQIRBNAUQMO-SRVKXCTJSA-N 1 0 235.327 2.122 20 10 BECDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000720937713 712880445 /nfs/dbraw/zinc/88/04/45/712880445.db2.gz WWTCJYUKYSFVFH-JMSVASOKSA-N 1 0 248.370 2.174 20 10 BECDRO CSCCC[N@H+](C)Cc1ccc(N)cc1 ZINC000129392184 1166182804 /nfs/dbraw/zinc/18/28/04/1166182804.db2.gz PHLXCENRAUBSQW-UHFFFAOYSA-N 1 0 224.373 2.454 20 10 BECDRO COc1ccc(O)c(C[NH2+]C/C=C/C2CC2)c1 ZINC000393693923 1166505153 /nfs/dbraw/zinc/50/51/53/1166505153.db2.gz LCIHNZAAHJWOKL-NSCUHMNNSA-N 1 0 233.311 2.457 20 10 BECDRO COc1ccc(N(C)CCC[NH3+])cc1Cl ZINC000020239894 1166655034 /nfs/dbraw/zinc/65/50/34/1166655034.db2.gz MBFKYIJOMYMQIL-UHFFFAOYSA-N 1 0 228.723 2.134 20 10 BECDRO Cc1ncc(C[NH2+]Cc2cc(F)ccc2O)o1 ZINC000397889392 1167029965 /nfs/dbraw/zinc/02/99/65/1167029965.db2.gz QUXOHEIINNKYRN-UHFFFAOYSA-N 1 0 236.246 2.118 20 10 BECDRO CN(C)c1ccc(C2=CCC[NH2+]C2)cc1 ZINC000308795364 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ZINC001140950165 960744736 /nfs/dbraw/zinc/74/47/36/960744736.db2.gz SWNVBGACGDUBGH-UHFFFAOYSA-N 1 0 237.343 2.293 20 10 BECDRO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c(O)c1 ZINC001140948075 960747832 /nfs/dbraw/zinc/74/78/32/960747832.db2.gz RTKPHWCMESFYQO-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(O)c1 ZINC001140947874 960749375 /nfs/dbraw/zinc/74/93/75/960749375.db2.gz JECQLHVQXMIHJL-OAHLLOKOSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(O)c1 ZINC001140948354 960750142 /nfs/dbraw/zinc/75/01/42/960750142.db2.gz GFPFPIQPGQGRAT-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)c1 ZINC001140957803 960757797 /nfs/dbraw/zinc/75/77/97/960757797.db2.gz OCDDOKXXQFIQBP-ZFWWWQNUSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@]23CCOC3)c(O)c1 ZINC001140954233 960760804 /nfs/dbraw/zinc/76/08/04/960760804.db2.gz NQEADFSMEDEKMY-CQSZACIVSA-N 1 0 233.311 2.065 20 10 BECDRO COc1cc(O)c(C[N@H+](C)C(C)C)c(OC)c1 ZINC001141032058 960825995 /nfs/dbraw/zinc/82/59/95/960825995.db2.gz QKVZSPJIPZCWNO-UHFFFAOYSA-N 1 0 239.315 2.250 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001141155807 960889675 /nfs/dbraw/zinc/88/96/75/960889675.db2.gz KHKRDHQEHJBMPP-PHIMTYICSA-N 1 0 233.311 2.330 20 10 BECDRO Oc1ccc(O)c(C[NH+]2CCC3(CC3)CC2)c1 ZINC001141156122 960889894 /nfs/dbraw/zinc/88/98/94/960889894.db2.gz FXUOEMKHYIJAIL-UHFFFAOYSA-N 1 0 233.311 2.474 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC001141159170 960897016 /nfs/dbraw/zinc/89/70/16/960897016.db2.gz AZQXORNCQIIXGB-UHFFFAOYSA-N 1 0 233.311 2.474 20 10 BECDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001141160032 960897129 /nfs/dbraw/zinc/89/71/29/960897129.db2.gz PLKJEQRIVKBIRR-TXEJJXNPSA-N 1 0 233.311 2.186 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1C ZINC000402008972 961702278 /nfs/dbraw/zinc/70/22/78/961702278.db2.gz APBFRICPYWRHME-AAEUAGOBSA-N 1 0 235.327 2.271 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2CN(C)C)c1 ZINC000133847294 962684378 /nfs/dbraw/zinc/68/43/78/962684378.db2.gz ZTTOIAFWHJUMAK-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO COc1cc(C)cc(C[NH2+][C@@H](C)CF)c1O ZINC000894854968 963108556 /nfs/dbraw/zinc/10/85/56/963108556.db2.gz LMZZZAJMAJOOGG-VIFPVBQESA-N 1 0 227.279 2.157 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](C)COC)c1O ZINC000691480533 964516436 /nfs/dbraw/zinc/51/64/36/964516436.db2.gz JPQBLDMVXQAYTL-JTQLQIEISA-N 1 0 223.316 2.079 20 10 BECDRO Nc1ccc(Nc2ccc(C[NH3+])c(F)c2)nc1 ZINC001162522449 965020464 /nfs/dbraw/zinc/02/04/64/965020464.db2.gz DHYKJYQQVWTNML-UHFFFAOYSA-N 1 0 232.262 2.005 20 10 BECDRO CNc1ccccc1N[C@H](C)C[NH+](C)C ZINC001163782558 965587462 /nfs/dbraw/zinc/58/74/62/965587462.db2.gz LFUPTZSNWLCRFU-SNVBAGLBSA-N 1 0 207.321 2.090 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2C)cc1C ZINC000699791451 966096556 /nfs/dbraw/zinc/09/65/56/966096556.db2.gz UCTBFUXEMDXPSP-DGCLKSJQSA-N 1 0 235.327 2.128 20 10 BECDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cc(F)ccc1O ZINC000699811819 966099260 /nfs/dbraw/zinc/09/92/60/966099260.db2.gz YJCQPLRKDRZQND-PTRXPTGYSA-N 1 0 239.290 2.217 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000699901426 966171941 /nfs/dbraw/zinc/17/19/41/966171941.db2.gz IJSZOLUMJLMLOD-ZWNOBZJWSA-N 1 0 235.327 2.079 20 10 BECDRO Cc1cc(C)c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c(O)c1 ZINC001236079273 966263016 /nfs/dbraw/zinc/26/30/16/966263016.db2.gz PFKOINHESHZGDV-STQMWFEESA-N 1 0 248.370 2.191 20 10 BECDRO CC(C)(C)c1ccc(O)c(CN2CC[C@@H]([NH3+])C2)c1 ZINC001236172610 966293995 /nfs/dbraw/zinc/29/39/95/966293995.db2.gz IGCFZAUULPCVDM-CYBMUJFWSA-N 1 0 248.370 2.223 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](CO)CC[C@H]1C ZINC001237485385 966663449 /nfs/dbraw/zinc/66/34/49/966663449.db2.gz OYJDIYOHJONIMU-OLZOCXBDSA-N 1 0 249.354 2.293 20 10 BECDRO CCN1CC[N@H+](Cc2ccccc2O)C(C)(C)C1 ZINC001203562223 966687069 /nfs/dbraw/zinc/68/70/69/966687069.db2.gz FPTNEPIBFFSVQH-UHFFFAOYSA-N 1 0 248.370 2.308 20 10 BECDRO Oc1ccccc1CN1Cc2ccncc2C1 ZINC001203555747 966689724 /nfs/dbraw/zinc/68/97/24/966689724.db2.gz GXJALEOABPFFIZ-UHFFFAOYSA-N 1 0 226.279 2.303 20 10 BECDRO CCc1cccc(C[N@H+](C)CCOC)c1O ZINC000692104931 966764372 /nfs/dbraw/zinc/76/43/72/966764372.db2.gz JNGVBOSFVKXQMI-UHFFFAOYSA-N 1 0 223.316 2.033 20 10 BECDRO CC[N@H+](Cc1ccc(O)c(O)c1)C1CC1 ZINC001203873330 966802839 /nfs/dbraw/zinc/80/28/39/966802839.db2.gz CXCORGKUEOHUOU-UHFFFAOYSA-N 1 0 207.273 2.082 20 10 BECDRO C[N@H+](Cc1ccc(O)c(O)c1)C(C)(C)C ZINC001203878347 966806635 /nfs/dbraw/zinc/80/66/35/966806635.db2.gz DWQPDFGSKIXTMR-UHFFFAOYSA-N 1 0 209.289 2.328 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1 ZINC001203937826 966825444 /nfs/dbraw/zinc/82/54/44/966825444.db2.gz UKHIDJYBRPVOJC-QKDCVEJESA-N 1 0 248.345 2.400 20 10 BECDRO CC[N@H+](Cc1ccc(O)cc1O)C1CC1 ZINC001204272832 966950822 /nfs/dbraw/zinc/95/08/22/966950822.db2.gz TXORZQHFXGAULM-UHFFFAOYSA-N 1 0 207.273 2.082 20 10 BECDRO C[N@H+](Cc1ccccn1)Cc1ccc(O)cc1O ZINC001204272521 966953558 /nfs/dbraw/zinc/95/35/58/966953558.db2.gz PBKZLESRCGLRHQ-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204272215 966954075 /nfs/dbraw/zinc/95/40/75/966954075.db2.gz JWWPZRNSVTXMJF-JTQLQIEISA-N 1 0 221.300 2.472 20 10 BECDRO Oc1ccc(C[N@@H+]2CCCC23CC3)c(O)c1 ZINC001204273118 966954885 /nfs/dbraw/zinc/95/48/85/966954885.db2.gz YXLRWAKSVVHEGD-UHFFFAOYSA-N 1 0 219.284 2.226 20 10 BECDRO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276124 966955097 /nfs/dbraw/zinc/95/50/97/966955097.db2.gz HORDVSOSFOSSRT-ONGXEEELSA-N 1 0 239.290 2.278 20 10 BECDRO Oc1ccc(C[N@@H+]2CC3CCC2CC3)c(O)c1 ZINC001204277802 966958240 /nfs/dbraw/zinc/95/82/40/966958240.db2.gz AMBOKOOUOGALTO-UHFFFAOYSA-N 1 0 233.311 2.472 20 10 BECDRO COc1cc(C[N@H+](C)C(C)(C)C)cc(O)c1O ZINC001204341969 966973450 /nfs/dbraw/zinc/97/34/50/966973450.db2.gz IHPVQZLCJVOTLC-UHFFFAOYSA-N 1 0 239.315 2.337 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)CC[C@H]1CN ZINC001205856019 967856805 /nfs/dbraw/zinc/85/68/05/967856805.db2.gz RXHHSQVWPOHPGS-AAEUAGOBSA-N 1 0 248.370 2.260 20 10 BECDRO CCc1ccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205889325 967874202 /nfs/dbraw/zinc/87/42/02/967874202.db2.gz ZDBYQMCERVSGIK-RISCZKNCSA-N 1 0 248.370 2.124 20 10 BECDRO Nc1ccc(NC(=O)[C@@H]([NH3+])C2CCCCC2)cc1 ZINC001118256584 968095315 /nfs/dbraw/zinc/09/53/15/968095315.db2.gz YCLXYPWNSVYTIM-ZDUSSCGKSA-N 1 0 247.342 2.115 20 10 BECDRO Cc1cc(C[NH2+]Cc2ccccc2O)sn1 ZINC000404463960 968893614 /nfs/dbraw/zinc/89/36/14/968893614.db2.gz RAMHJMYWWJABHS-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)C(C)C ZINC001253764482 969379909 /nfs/dbraw/zinc/37/99/09/969379909.db2.gz CDULBUYZHGYVAB-CQSZACIVSA-N 1 0 237.343 2.231 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000691461557 969963176 /nfs/dbraw/zinc/96/31/76/969963176.db2.gz VSPRKPSNRKJYEU-CQSZACIVSA-N 1 0 248.370 2.138 20 10 BECDRO CCc1cccc(C[NH2+]CC2(CC)COC2)c1O ZINC000691462352 969964563 /nfs/dbraw/zinc/96/45/63/969964563.db2.gz CEEYCZGEUHDYJH-UHFFFAOYSA-N 1 0 249.354 2.471 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H]2CCOC2)c1O ZINC000691480013 970005907 /nfs/dbraw/zinc/00/59/07/970005907.db2.gz AVNLNHWULQADFT-LLVKDONJSA-N 1 0 235.327 2.081 20 10 BECDRO CCc1cccc(C[NH2+]CC2(C)COC2)c1O ZINC000691494901 970032155 /nfs/dbraw/zinc/03/21/55/970032155.db2.gz QDZWZLYBAOZMAE-UHFFFAOYSA-N 1 0 235.327 2.081 20 10 BECDRO CCc1cc(OC)ccc1N(C)C(C)(C)C[NH3+] ZINC001170058947 970108983 /nfs/dbraw/zinc/10/89/83/970108983.db2.gz JQUGACRQXGZOMD-UHFFFAOYSA-N 1 0 236.359 2.431 20 10 BECDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCCOC2)c1O ZINC000401591795 970710720 /nfs/dbraw/zinc/71/07/20/970710720.db2.gz XHDSAMDTYCJFCZ-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CO1 ZINC000402055476 970758917 /nfs/dbraw/zinc/75/89/17/970758917.db2.gz RDOZBQMQHBNPJM-JLLWLGSASA-N 1 0 233.311 2.147 20 10 BECDRO C[N@H+](Cc1ccc(O)cn1)Cc1ccccc1O ZINC001144262549 972718636 /nfs/dbraw/zinc/71/86/36/972718636.db2.gz ATNXXUUZSZURPP-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO C[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500591 972847656 /nfs/dbraw/zinc/84/76/56/972847656.db2.gz WCTFDTIESCXTEZ-SECBINFHSA-N 1 0 237.299 2.178 20 10 BECDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C2(CC2)C1 ZINC001144515685 972857264 /nfs/dbraw/zinc/85/72/64/972857264.db2.gz VKODVCUWJSVFSO-VIFPVBQESA-N 1 0 249.310 2.178 20 10 BECDRO C[N@H+](Cc1c(O)cc(O)cc1O)C1CCCC1 ZINC001144509179 972857792 /nfs/dbraw/zinc/85/77/92/972857792.db2.gz OAFDTCXPOFSFDL-UHFFFAOYSA-N 1 0 237.299 2.178 20 10 BECDRO COc1ccc(N2CCCC3(C[NH+](C)C3)C2)cc1 ZINC001276924850 973302044 /nfs/dbraw/zinc/30/20/44/973302044.db2.gz PVABUHBIBBDNJR-UHFFFAOYSA-N 1 0 246.354 2.227 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCSC1)CC2 ZINC000390801476 973943805 /nfs/dbraw/zinc/94/38/05/973943805.db2.gz ZLEGRYXTWQJXRW-GHMZBOCLSA-N 1 0 235.352 2.475 20 10 BECDRO C[NH2+]C[C@H](C)N[C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001330117856 974115633 /nfs/dbraw/zinc/11/56/33/974115633.db2.gz AFQDSVCRWJSASV-GRYCIOLGSA-N 1 0 248.370 2.446 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC001334775438 976642070 /nfs/dbraw/zinc/64/20/70/976642070.db2.gz XYRQEMRXKKCFTQ-DZGCQCFKSA-N 1 0 246.354 2.270 20 10 BECDRO COc1ccc(Nc2cc[nH+]cc2C)c(O)c1 ZINC001174540180 976831520 /nfs/dbraw/zinc/83/15/20/976831520.db2.gz WPIQBOYJBOSTJU-UHFFFAOYSA-N 1 0 230.267 2.270 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC001335289565 976934932 /nfs/dbraw/zinc/93/49/32/976934932.db2.gz OVKSKTLMWWLUAQ-QWHCGFSZSA-N 1 0 248.395 2.454 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001336116560 977512598 /nfs/dbraw/zinc/51/25/98/977512598.db2.gz GFOUTUNZMUYLJP-UKRRQHHQSA-N 1 0 246.354 2.270 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c1O ZINC001231590593 977635299 /nfs/dbraw/zinc/63/52/99/977635299.db2.gz BQWQCLRGMRABNQ-IUODEOHRSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1O ZINC001231591577 977639664 /nfs/dbraw/zinc/63/96/64/977639664.db2.gz HBDNTVHTVXYERD-AVGNSLFASA-N 1 0 235.302 2.490 20 10 BECDRO Cc1cccc(C[N@@H+]2CCCC[C@](C)(O)C2)c1O ZINC001231590755 977640875 /nfs/dbraw/zinc/64/08/75/977640875.db2.gz HMFSFRPDGXFQSO-HNNXBMFYSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c1O ZINC001231590592 977643124 /nfs/dbraw/zinc/64/31/24/977643124.db2.gz BQWQCLRGMRABNQ-DOMZBBRYSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CCCC23COC3)c(O)c1 ZINC001231846222 977756807 /nfs/dbraw/zinc/75/68/07/977756807.db2.gz IEQPNFLBALFDKU-UHFFFAOYSA-N 1 0 247.338 2.374 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CC[C@H](O)C[C@@H]2C)c(O)c1 ZINC001231845552 977759686 /nfs/dbraw/zinc/75/96/86/977759686.db2.gz AEIHVOHXBBFXOI-STQMWFEESA-N 1 0 249.354 2.354 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC001231842205 977761456 /nfs/dbraw/zinc/76/14/56/977761456.db2.gz KVXBSSAABIBCAR-GXTWGEPZSA-N 1 0 249.354 2.212 20 10 BECDRO Cc1cc(C)c(C[N@H+]2CCOC[C@H]2C)c(O)c1 ZINC001231842275 977761992 /nfs/dbraw/zinc/76/19/92/977761992.db2.gz LWVUHLQPDKQANS-GFCCVEGCSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1cc(C)c(C[N@H+]2C[C@@H](O)CC[C@H]2C)c(O)c1 ZINC001231841913 977762778 /nfs/dbraw/zinc/76/27/78/977762778.db2.gz GXAGBWJTTDAUIT-OLZOCXBDSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(CO)C2)c(O)c1 ZINC001231843399 977764062 /nfs/dbraw/zinc/76/40/62/977764062.db2.gz XWAZZRRFKAYZKP-OAHLLOKOSA-N 1 0 249.354 2.213 20 10 BECDRO C[N@@H+](Cc1cccc(Cl)c1[O-])CC1COC1 ZINC001231912609 977800903 /nfs/dbraw/zinc/80/09/03/977800903.db2.gz QXYFXLRTCQYZCJ-UHFFFAOYSA-N 1 0 241.718 2.124 20 10 BECDRO [NH3+]Cc1ccc(Nc2cccc(O)c2O)cc1 ZINC001175968330 977838909 /nfs/dbraw/zinc/83/89/09/977838909.db2.gz FYUDUUWAZZDCFO-UHFFFAOYSA-N 1 0 230.267 2.300 20 10 BECDRO CC[N@H+](Cc1ccc(N(C)C)cc1O)C1CC1 ZINC001232835099 978308374 /nfs/dbraw/zinc/30/83/74/978308374.db2.gz VUXDPPVEPDCBNT-UHFFFAOYSA-N 1 0 234.343 2.443 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCC3(CC3)C2)c(O)c1 ZINC001232837017 978308789 /nfs/dbraw/zinc/30/87/89/978308789.db2.gz ZEQBDLQHVOFYIQ-UHFFFAOYSA-N 1 0 246.354 2.444 20 10 BECDRO CCC[N@H+](CC)Cc1cc(O)c(O)c(O)c1 ZINC001233009823 978407066 /nfs/dbraw/zinc/40/70/66/978407066.db2.gz CLVMYXPOPYIPIN-UHFFFAOYSA-N 1 0 225.288 2.035 20 10 BECDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)CC(C)(C)C ZINC001233011482 978411317 /nfs/dbraw/zinc/41/13/17/978411317.db2.gz AMTZIUKTKVPTMJ-UHFFFAOYSA-N 1 0 239.315 2.281 20 10 BECDRO Oc1c(C[NH+]2CCC2)cccc1OC(F)(F)F ZINC001233728734 978681672 /nfs/dbraw/zinc/68/16/72/978681672.db2.gz ZQAMYFUZKUUBBI-UHFFFAOYSA-N 1 0 247.216 2.497 20 10 BECDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC001235673888 979113771 /nfs/dbraw/zinc/11/37/71/979113771.db2.gz AZCPHNYWJFXSTB-CYBMUJFWSA-N 1 0 249.354 2.256 20 10 BECDRO CC(C)C[C@H]1CN(Cc2ccc(N)cc2)CC[NH2+]1 ZINC001235881969 979178422 /nfs/dbraw/zinc/17/84/22/979178422.db2.gz MNUMNFHSFOVUSM-HNNXBMFYSA-N 1 0 247.386 2.089 20 10 BECDRO CCN(CC[NH2+]C)Cc1ccc(N(C)C)c(C)c1 ZINC001236143043 979411006 /nfs/dbraw/zinc/41/10/06/979411006.db2.gz HYBNWUHKZXYRJO-UHFFFAOYSA-N 1 0 249.402 2.102 20 10 BECDRO Oc1ccccc1C[NH2+]CCOCC1CCC1 ZINC000690483316 979542492 /nfs/dbraw/zinc/54/24/92/979542492.db2.gz DKCHYLWDUSMLGI-UHFFFAOYSA-N 1 0 235.327 2.299 20 10 BECDRO CCc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC001236424203 979596365 /nfs/dbraw/zinc/59/63/65/979596365.db2.gz JPFVINVJHAXNDR-RYUDHWBXSA-N 1 0 248.370 2.137 20 10 BECDRO CC(C)N(Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236470196 979605025 /nfs/dbraw/zinc/60/50/25/979605025.db2.gz AYXLOQNAHJQJHF-OAHLLOKOSA-N 1 0 247.386 2.231 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC001183054516 979723162 /nfs/dbraw/zinc/72/31/62/979723162.db2.gz ZBHSMYCCFRPWEL-JOCQHMNTSA-N 1 0 235.327 2.129 20 10 BECDRO CCc1ccc(C[N@@H+]2CCOC3(CC3)C2)c(O)c1 ZINC001236786566 979728605 /nfs/dbraw/zinc/72/86/05/979728605.db2.gz CWDJCVMRHVIYJJ-UHFFFAOYSA-N 1 0 247.338 2.319 20 10 BECDRO CCc1ccc(C[N@@H+]2CCOC[C@@H]2C)c(O)c1 ZINC001236782852 979730601 /nfs/dbraw/zinc/73/06/01/979730601.db2.gz FSCASYSVMIBGGP-NSHDSACASA-N 1 0 235.327 2.175 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(O)c1 ZINC001236782301 979731789 /nfs/dbraw/zinc/73/17/89/979731789.db2.gz AHHKKPWSWFDNCV-RISCZKNCSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1ccc(C[NH+]2CC(COC)C2)c(O)c1 ZINC001236784288 979732964 /nfs/dbraw/zinc/73/29/64/979732964.db2.gz TZGCXBPOGHWPRS-UHFFFAOYSA-N 1 0 235.327 2.033 20 10 BECDRO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001236787445 979735052 /nfs/dbraw/zinc/73/50/52/979735052.db2.gz VHBXHWGHMMVJLE-BETUJISGSA-N 1 0 217.312 2.406 20 10 BECDRO COc1cc(C)c(C[N@@H+]2CC[C@H](F)C2)c(O)c1 ZINC001236807739 979737647 /nfs/dbraw/zinc/73/76/47/979737647.db2.gz KKWKLTLPCKLHNR-JTQLQIEISA-N 1 0 239.290 2.253 20 10 BECDRO COc1cc(C)c(C[NH+]2CC(C)C2)c(O)c1 ZINC001236812638 979747594 /nfs/dbraw/zinc/74/75/94/979747594.db2.gz AJFBUALCCOHEDT-UHFFFAOYSA-N 1 0 221.300 2.161 20 10 BECDRO CC[C@H]([NH3+])CN(C)Cc1c(O)cccc1Cl ZINC001236869925 979776192 /nfs/dbraw/zinc/77/61/92/979776192.db2.gz ZPZROIBACMYBBE-VIFPVBQESA-N 1 0 242.750 2.215 20 10 BECDRO CC(C)c1ccc(C[NH+]2CCC(O)CC2)c(O)c1 ZINC001237048193 979812788 /nfs/dbraw/zinc/81/27/88/979812788.db2.gz QZCCDVMYSVSLMQ-UHFFFAOYSA-N 1 0 249.354 2.472 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC(=O)C[C@H]1C ZINC001237485351 979909859 /nfs/dbraw/zinc/90/98/59/979909859.db2.gz OSRIOYBCCZFUTI-LLVKDONJSA-N 1 0 233.311 2.254 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001237486238 979910236 /nfs/dbraw/zinc/91/02/36/979910236.db2.gz ZJSUBBPLMZCCPP-DOMZBBRYSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](O)C[C@@H]1C ZINC001237487125 979915993 /nfs/dbraw/zinc/91/59/93/979915993.db2.gz GSCRVIPWGAUKRD-NWDGAFQWSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@@H](O)C1 ZINC001344438474 980395108 /nfs/dbraw/zinc/39/51/08/980395108.db2.gz NRUGFAWPMTZSOX-WYUUTHIRSA-N 1 0 247.338 2.362 20 10 BECDRO Cn1ccc2ncc(-c3cncc(C[NH3+])c3)cc21 ZINC001239803899 980942797 /nfs/dbraw/zinc/94/27/97/980942797.db2.gz KFLCNAJJLRFNTK-UHFFFAOYSA-N 1 0 238.294 2.094 20 10 BECDRO CN1CCOc2cc(C3=CC[N@H+](C)CC3)ccc21 ZINC001241321752 982480834 /nfs/dbraw/zinc/48/08/34/982480834.db2.gz CVGTVNMRIDMKKT-UHFFFAOYSA-N 1 0 244.338 2.234 20 10 BECDRO Oc1ccc(C[N@@H+]2CCC[C@H](F)CC2)cc1O ZINC001203875506 982560439 /nfs/dbraw/zinc/56/04/39/982560439.db2.gz OEFSMUJVCBOYOE-NSHDSACASA-N 1 0 239.290 2.422 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@@H]2CN)c1 ZINC001205831650 982681566 /nfs/dbraw/zinc/68/15/66/982681566.db2.gz YFWXFXZVJOEKDF-TZMCWYRMSA-N 1 0 248.370 2.260 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2CCCC23COC3)cc1 ZINC001203934156 982912283 /nfs/dbraw/zinc/91/22/83/982912283.db2.gz OJJLAFNUVSWCSR-UHFFFAOYSA-N 1 0 246.354 2.117 20 10 BECDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001356083585 983570036 /nfs/dbraw/zinc/57/00/36/983570036.db2.gz UBGKSUAHYXXOHN-HNNXBMFYSA-N 1 0 248.370 2.253 20 10 BECDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000687213437 985267504 /nfs/dbraw/zinc/26/75/04/985267504.db2.gz WABOOYGSNSVHGW-AAEUAGOBSA-N 1 0 235.327 2.392 20 10 BECDRO CCc1cccc(C[N@H+](C)[C@@H]2CCOC2)c1O ZINC000692107122 985410081 /nfs/dbraw/zinc/41/00/81/985410081.db2.gz CFRFZJKVVGDYFQ-CYBMUJFWSA-N 1 0 235.327 2.175 20 10 BECDRO CN(C)c1ccc(C2=C[NH2+]CCC2)cc1 ZINC001243949840 985645274 /nfs/dbraw/zinc/64/52/74/985645274.db2.gz KCNMCOXIYCXEMA-UHFFFAOYSA-N 1 0 202.301 2.477 20 10 BECDRO Cc1ncc(C[NH2+]Cc2cc(C)ccc2O)n1C ZINC000689256061 986463174 /nfs/dbraw/zinc/46/31/74/986463174.db2.gz AUJSLHDCBAHUOC-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO CCc1cccc(C[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000696126033 987341107 /nfs/dbraw/zinc/34/11/07/987341107.db2.gz JARBPDJWMLZVRL-LLVKDONJSA-N 1 0 249.354 2.205 20 10 BECDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC001116505511 987609008 /nfs/dbraw/zinc/60/90/08/987609008.db2.gz IOUAGAUWFAFPGR-ZIAGYGMSSA-N 1 0 248.370 2.355 20 10 BECDRO Cc1cc(C)c(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c(O)c1 ZINC001246344781 987753487 /nfs/dbraw/zinc/75/34/87/987753487.db2.gz SKSPSGCMNFKUPK-CHWSQXEVSA-N 1 0 248.370 2.239 20 10 BECDRO Cc1cc(C[NH+]2CC=CC2)ccc1N(C)C ZINC001139669964 991305372 /nfs/dbraw/zinc/30/53/72/991305372.db2.gz SASJQEFCUVPCEG-UHFFFAOYSA-N 1 0 216.328 2.433 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H](O)C2)c1O ZINC001140178699 991550581 /nfs/dbraw/zinc/55/05/81/991550581.db2.gz VBISYAAPSKFXRJ-CYBMUJFWSA-N 1 0 249.354 2.356 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CCOC[C@@H]2C)c1O ZINC001140178510 991550844 /nfs/dbraw/zinc/55/08/44/991550844.db2.gz NDCFIRHVGRZKBA-LBPRGKRZSA-N 1 0 235.327 2.230 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]23CCOC3)c1O ZINC001140184704 991558348 /nfs/dbraw/zinc/55/83/48/991558348.db2.gz FJHYHPRAIVZIIB-OAHLLOKOSA-N 1 0 247.338 2.374 20 10 BECDRO CC(=O)[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184398 991559389 /nfs/dbraw/zinc/55/93/89/991559389.db2.gz RUFAOJHSZMQBST-ZDUSSCGKSA-N 1 0 247.338 2.420 20 10 BECDRO C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC001261424425 992294661 /nfs/dbraw/zinc/29/46/61/992294661.db2.gz UOBYBYZAODRYRV-NXEZZACHSA-N 1 0 240.322 2.180 20 10 BECDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001262487710 992893447 /nfs/dbraw/zinc/89/34/47/992893447.db2.gz BUERBMQKPWXHSQ-JMSVASOKSA-N 1 0 248.370 2.250 20 10 BECDRO NC[C@@H]([NH2+]Cc1ccc(N)cc1)C1CCCCC1 ZINC001262487905 992893910 /nfs/dbraw/zinc/89/39/10/992893910.db2.gz JVEGHDCRTMUZIO-OAHLLOKOSA-N 1 0 247.386 2.266 20 10 BECDRO CC(C)c1ccc(O)c(CN(C)C[C@@H](C)[NH3+])c1 ZINC001576150438 993192169 /nfs/dbraw/zinc/19/21/69/993192169.db2.gz ZJFJDEHUZYQEJU-LLVKDONJSA-N 1 0 236.359 2.295 20 10 BECDRO C[C@H]1CC[N@H+](Cc2ccc(N)cc2)[C@H]1C ZINC000380642644 993341592 /nfs/dbraw/zinc/34/15/92/993341592.db2.gz UOWSZLMVDIYDJX-QWRGUYRKSA-N 1 0 204.317 2.499 20 10 BECDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N)cc2)C[C@@H]1C ZINC001336116489 994954891 /nfs/dbraw/zinc/95/48/91/994954891.db2.gz FFZNMKDNLIXNQP-STQMWFEESA-N 1 0 247.386 2.183 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)CO1 ZINC001621421442 1170804922 /nfs/dbraw/zinc/80/49/22/1170804922.db2.gz URMFCJKJROABRN-KCJUWKMLSA-N 1 0 241.718 2.313 20 10 BECDRO O=c1cc(C[N@@H+]2Cc3cccc(O)c3C2)cc[nH]1 ZINC001621490682 1170829694 /nfs/dbraw/zinc/82/96/94/1170829694.db2.gz IMLQJKMSRGTNBR-UHFFFAOYSA-N 1 0 242.278 2.009 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)CC(C)(C)O1 ZINC000045661734 1171454177 /nfs/dbraw/zinc/45/41/77/1171454177.db2.gz VZGGDHBHKPSJKF-LLVKDONJSA-N 1 0 234.343 2.268 20 10 BECDRO Cc1nnsc1C[NH2+]Cc1cc(C)ccc1O ZINC000291782627 398188850 /nfs/dbraw/zinc/18/88/50/398188850.db2.gz UZZLWSDDUWYGRT-UHFFFAOYSA-N 1 0 249.339 2.150 20 10 BECDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](O)[C@H]2C)cc1C ZINC000294697754 178195515 /nfs/dbraw/zinc/19/55/15/178195515.db2.gz AZFALOCZIFZPID-TZMCWYRMSA-N 1 0 249.354 2.354 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCOC2)cc1C ZINC000237761984 178196712 /nfs/dbraw/zinc/19/67/12/178196712.db2.gz JORUDLVLSGDTHZ-CYBMUJFWSA-N 1 0 235.327 2.278 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1C ZINC000188829800 178197063 /nfs/dbraw/zinc/19/70/63/178197063.db2.gz RPJVHIXYONRMCG-GXTWGEPZSA-N 1 0 249.354 2.260 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN(C)C)cc1C ZINC000290077300 178197706 /nfs/dbraw/zinc/19/77/06/178197706.db2.gz IOTJSACWHBZYAT-LBPRGKRZSA-N 1 0 236.359 2.049 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCOC[C@@H](C)C2)c1 ZINC000370053959 398249724 /nfs/dbraw/zinc/24/97/24/398249724.db2.gz SJSXARGRTSVTGK-LBPRGKRZSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)O)c1 ZINC000083461145 398282255 /nfs/dbraw/zinc/28/22/55/398282255.db2.gz XWFFYJVJDBYLFC-SNVBAGLBSA-N 1 0 223.316 2.122 20 10 BECDRO CCCCOCC[NH2+]Cc1ccccc1O ZINC000040506120 343405556 /nfs/dbraw/zinc/40/55/56/343405556.db2.gz MBWRUFZYNOPBQA-UHFFFAOYSA-N 1 0 223.316 2.299 20 10 BECDRO Cc1nc(C[NH2+]Cc2ccccc2O)cs1 ZINC000041010307 343412609 /nfs/dbraw/zinc/41/26/09/343412609.db2.gz AGLRTCCTJDKTAN-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO CC(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880341 343456658 /nfs/dbraw/zinc/45/66/58/343456658.db2.gz MARRFLGQKKTPLN-UHFFFAOYSA-N 1 0 237.299 2.257 20 10 BECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C)O ZINC000035601679 178806265 /nfs/dbraw/zinc/80/62/65/178806265.db2.gz IBTYYXHVEPNRAW-MXWKQRLJSA-N 1 0 235.327 2.219 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000093483086 345673451 /nfs/dbraw/zinc/67/34/51/345673451.db2.gz VOZIKSISFUZGII-OCCSQVGLSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1cccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1O ZINC000366249385 179073834 /nfs/dbraw/zinc/07/38/34/179073834.db2.gz JUNVWCFJYBZLEO-CYBMUJFWSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1cccc(CN(C)CC[N@H+](C)C2CC2)c1O ZINC000290354566 179066048 /nfs/dbraw/zinc/06/60/48/179066048.db2.gz GKGNALRQTMOVDQ-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC23CCOCC3)c1O ZINC000369327835 179074717 /nfs/dbraw/zinc/07/47/17/179074717.db2.gz WVDUSNUPIJCWSK-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO Cc1cccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000364520162 179078961 /nfs/dbraw/zinc/07/89/61/179078961.db2.gz KMEDKWCMKXQIOD-AWEZNQCLSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1O ZINC000369683745 179081671 /nfs/dbraw/zinc/08/16/71/179081671.db2.gz ONNJJAOVYQQHCC-GXTWGEPZSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(C[NH2+]CC(C)(C)CCO)c1O ZINC000224874652 179089698 /nfs/dbraw/zinc/08/96/98/179089698.db2.gz VRDBVTYRVRRNPO-UHFFFAOYSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1O ZINC000277321570 179098014 /nfs/dbraw/zinc/09/80/14/179098014.db2.gz CCTNLAPLZLNPTK-DGCLKSJQSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1cccc(C[NH2+]CCOCC2CC2)c1O ZINC000224808757 179092599 /nfs/dbraw/zinc/09/25/99/179092599.db2.gz SJPSFYCOGNCOOD-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000124706224 179094882 /nfs/dbraw/zinc/09/48/82/179094882.db2.gz LKLFKRRNTDMIMV-LBPRGKRZSA-N 1 0 245.326 2.075 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000124815512 179098692 /nfs/dbraw/zinc/09/86/92/179098692.db2.gz QHQJOAWDEDELMV-CHWSQXEVSA-N 1 0 235.327 2.094 20 10 BECDRO Cc1cccc(C[NH2+][C@H](C)c2cn[nH]c2)c1O ZINC000224934905 179100259 /nfs/dbraw/zinc/10/02/59/179100259.db2.gz CCDAFDCIBQTBSW-SNVBAGLBSA-N 1 0 231.299 2.275 20 10 BECDRO Cc1cccc(C[NH2+][C@H](CCO)C(C)C)c1O ZINC000224869075 179101006 /nfs/dbraw/zinc/10/10/06/179101006.db2.gz DCKXOXQKPPXKES-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCOC[C@H]2C)c1O ZINC000277321582 179101975 /nfs/dbraw/zinc/10/19/75/179101975.db2.gz CCTNLAPLZLNPTK-YPMHNXCESA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ncsc1C[NH2+]Cc1ccccc1O ZINC000070836506 180322584 /nfs/dbraw/zinc/32/25/84/180322584.db2.gz YUBBLPORWGONJG-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1C ZINC000089151246 187453965 /nfs/dbraw/zinc/45/39/65/187453965.db2.gz APNBLAOFLPWNQC-KGLIPLIRSA-N 1 0 249.354 2.254 20 10 BECDRO [NH3+][C@H]1CC=C(C(=O)N2CCCc3ccccc32)C1 ZINC000637868463 351733067 /nfs/dbraw/zinc/73/30/67/351733067.db2.gz MYFJUBDSGLITAN-ZDUSSCGKSA-N 1 0 242.322 2.013 20 10 BECDRO CO[C@H](C[NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000072924444 351762059 /nfs/dbraw/zinc/76/20/59/351762059.db2.gz NWHODWWSIVFQIJ-CQSZACIVSA-N 1 0 237.343 2.461 20 10 BECDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccccc1O ZINC000293064970 352338321 /nfs/dbraw/zinc/33/83/21/352338321.db2.gz UZADPBQCXKVGDJ-OAHLLOKOSA-N 1 0 249.354 2.423 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)C2CC2)cc1F ZINC000271094858 188199294 /nfs/dbraw/zinc/19/92/94/188199294.db2.gz YBNPYMXMOBQLDA-UHFFFAOYSA-N 1 0 222.307 2.486 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1 ZINC000285418327 188207817 /nfs/dbraw/zinc/20/78/17/188207817.db2.gz GKLPDXROKHJVHF-QWHCGFSZSA-N 1 0 249.354 2.463 20 10 BECDRO CO[C@@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000285164917 188208713 /nfs/dbraw/zinc/20/87/13/188208713.db2.gz PUBCRHYWBMOPMV-LBPRGKRZSA-N 1 0 237.343 2.476 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)C2(CO)CCC2)cc1 ZINC000292109991 188212299 /nfs/dbraw/zinc/21/22/99/188212299.db2.gz IXETZCJUTXZPIZ-UHFFFAOYSA-N 1 0 248.370 2.099 20 10 BECDRO CO[C@H](C[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000293735983 541302654 /nfs/dbraw/zinc/30/26/54/541302654.db2.gz VIAJOUJIRMKQKR-CYBMUJFWSA-N 1 0 239.290 2.046 20 10 BECDRO OCCCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296322989 183047037 /nfs/dbraw/zinc/04/70/37/183047037.db2.gz FWBPZRDUULDYMY-LBPRGKRZSA-N 1 0 235.327 2.132 20 10 BECDRO OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296620000 183125627 /nfs/dbraw/zinc/12/56/27/183125627.db2.gz WUALKGLSXGNAQC-KGYLQXTDSA-N 1 0 247.338 2.130 20 10 BECDRO CCCN(Cc1cc[nH]n1)c1ccc(C[NH3+])cc1 ZINC000194977174 169176164 /nfs/dbraw/zinc/17/61/64/169176164.db2.gz QAIDHLMXWZCQDK-UHFFFAOYSA-N 1 0 244.342 2.285 20 10 BECDRO CCC[N@H+](CCCCO)Cc1ccccc1O ZINC000264083595 169153426 /nfs/dbraw/zinc/15/34/26/169153426.db2.gz FDXYHNJFLNLFOZ-UHFFFAOYSA-N 1 0 237.343 2.377 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCCO1)CC2 ZINC000295939104 183298293 /nfs/dbraw/zinc/29/82/93/183298293.db2.gz KTUUCZHGLYYODG-VXGBXAGGSA-N 1 0 233.311 2.148 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCCSCC1 ZINC000273408008 183301054 /nfs/dbraw/zinc/30/10/54/183301054.db2.gz NSFCYBBMZZJQTA-UHFFFAOYSA-N 1 0 223.341 2.331 20 10 BECDRO Oc1ccccc1C[NH2+]CCc1nccs1 ZINC000060942187 183303595 /nfs/dbraw/zinc/30/35/95/183303595.db2.gz DMNMGDLVEDEEEV-UHFFFAOYSA-N 1 0 234.324 2.181 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000035601343 183303983 /nfs/dbraw/zinc/30/39/83/183303983.db2.gz DUOBTLZXSMLYCD-OAHLLOKOSA-N 1 0 243.306 2.215 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000035601344 183304084 /nfs/dbraw/zinc/30/40/84/183304084.db2.gz DUOBTLZXSMLYCD-HNNXBMFYSA-N 1 0 243.306 2.215 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCOC1 ZINC000271460097 169179020 /nfs/dbraw/zinc/17/90/20/169179020.db2.gz WVFHKQSXHVFYAL-CYBMUJFWSA-N 1 0 235.327 2.393 20 10 BECDRO C[C@H](CCCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000088503414 383904857 /nfs/dbraw/zinc/90/48/57/383904857.db2.gz CFFYVKKCSQRXMG-GFCCVEGCSA-N 1 0 236.359 2.003 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)N(C)C2CC2)c1 ZINC000113337410 383977748 /nfs/dbraw/zinc/97/77/48/383977748.db2.gz QEFDVKZAXWAFMX-GFCCVEGCSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]Cc2nccn2C)c(O)c1 ZINC000071273085 384159359 /nfs/dbraw/zinc/15/93/59/384159359.db2.gz NREQDJHUNKTKSO-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(C)c2)c1 ZINC000041159112 384180017 /nfs/dbraw/zinc/18/00/17/384180017.db2.gz XFTCEUDPEIYBQT-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(C)c2)c1 ZINC000041159114 384180903 /nfs/dbraw/zinc/18/09/03/384180903.db2.gz XFTCEUDPEIYBQT-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000211695132 384181135 /nfs/dbraw/zinc/18/11/35/384181135.db2.gz UWKGDHJGFGRNHE-BETUJISGSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CCn2ccnc2)c(O)c1 ZINC000041119320 384181327 /nfs/dbraw/zinc/18/13/27/384181327.db2.gz WVDWYIJQGKEYLA-GFCCVEGCSA-N 1 0 245.326 2.248 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000093418536 384206219 /nfs/dbraw/zinc/20/62/19/384206219.db2.gz FSAMJJLJURAKTH-NWDGAFQWSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000093640519 384255037 /nfs/dbraw/zinc/25/50/37/384255037.db2.gz PTAULWQVVHHRGI-UHFFFAOYSA-N 1 0 247.338 2.456 20 10 BECDRO C[C@H]([NH2+]CCn1ccnc1)c1cc(F)ccc1O ZINC000094617845 384306185 /nfs/dbraw/zinc/30/61/85/384306185.db2.gz XUJFASIECMZWSH-JTQLQIEISA-N 1 0 249.289 2.079 20 10 BECDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccccc1O ZINC000094948287 384321372 /nfs/dbraw/zinc/32/13/72/384321372.db2.gz DCAHEKRURAUZJV-VXGBXAGGSA-N 1 0 237.343 2.451 20 10 BECDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccccc1O ZINC000094948286 384321802 /nfs/dbraw/zinc/32/18/02/384321802.db2.gz DCAHEKRURAUZJV-NEPJUHHUSA-N 1 0 237.343 2.451 20 10 BECDRO COCC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000078638591 384454873 /nfs/dbraw/zinc/45/48/73/384454873.db2.gz HQYGFJTVCVDFIV-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CCO1 ZINC000161304402 384479982 /nfs/dbraw/zinc/47/99/82/384479982.db2.gz IACBNKOVEXWZRD-ZYHUDNBSSA-N 1 0 221.300 2.049 20 10 BECDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1O ZINC000019963527 384562100 /nfs/dbraw/zinc/56/21/00/384562100.db2.gz YZURDEZFFUJSAQ-WDEREUQCSA-N 1 0 221.300 2.222 20 10 BECDRO CC[C@@H]([NH2+]CCCOC)c1ccccc1O ZINC000020142593 384584822 /nfs/dbraw/zinc/58/48/22/384584822.db2.gz XLGBGNGBGSLVPB-GFCCVEGCSA-N 1 0 223.316 2.469 20 10 BECDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020196021 384597450 /nfs/dbraw/zinc/59/74/50/384597450.db2.gz KWMQUUMVXOUONX-GHMZBOCLSA-N 1 0 223.316 2.122 20 10 BECDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CCCO1 ZINC000020206257 384599322 /nfs/dbraw/zinc/59/93/22/384599322.db2.gz ONTDIZSHVIFUJR-GWCFXTLKSA-N 1 0 221.300 2.049 20 10 BECDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1CCCO1 ZINC000020206263 384599537 /nfs/dbraw/zinc/59/95/37/384599537.db2.gz ONTDIZSHVIFUJR-GXFFZTMASA-N 1 0 221.300 2.049 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000185141743 384683556 /nfs/dbraw/zinc/68/35/56/384683556.db2.gz UEWHOJXVDZKZDF-QWHCGFSZSA-N 1 0 248.370 2.445 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1 ZINC000185141689 384683629 /nfs/dbraw/zinc/68/36/29/384683629.db2.gz UEWHOJXVDZKZDF-OLZOCXBDSA-N 1 0 248.370 2.445 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2C)c(O)c1 ZINC000185142391 384683722 /nfs/dbraw/zinc/68/37/22/384683722.db2.gz FUUUGZLVNKOWJO-QWHCGFSZSA-N 1 0 248.370 2.445 20 10 BECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCO1 ZINC000162823596 384692190 /nfs/dbraw/zinc/69/21/90/384692190.db2.gz PGOVLZWCHAECTD-SNVBAGLBSA-N 1 0 241.718 2.314 20 10 BECDRO CCN(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000054110017 384820640 /nfs/dbraw/zinc/82/06/40/384820640.db2.gz ZNRGFLUROQHIOC-LBPRGKRZSA-N 1 0 236.359 2.303 20 10 BECDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccccc1O ZINC000289632292 384955534 /nfs/dbraw/zinc/95/55/34/384955534.db2.gz FGGROONZLBNIIV-JTQLQIEISA-N 1 0 231.299 2.009 20 10 BECDRO Cc1c(C[NH2+]Cc2cc(C)ccc2O)cnn1C ZINC000156610017 384908526 /nfs/dbraw/zinc/90/85/26/384908526.db2.gz PMHNJGOMHPYTBK-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccccc1O ZINC000085125562 384919691 /nfs/dbraw/zinc/91/96/91/384919691.db2.gz YKGXBPIJHKKXTB-WDEREUQCSA-N 1 0 223.316 2.061 20 10 BECDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccccc1O ZINC000128145421 385005141 /nfs/dbraw/zinc/00/51/41/385005141.db2.gz MDEJCCYBEJGEPX-NSHDSACASA-N 1 0 245.326 2.019 20 10 BECDRO C[C@@H]1[C@H](C)OCCN1Cc1cccc(F)c1O ZINC000272287917 385166409 /nfs/dbraw/zinc/16/64/09/385166409.db2.gz NTFOCUYGTNCSCZ-ZJUUUORDSA-N 1 0 239.290 2.141 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000153182237 385241075 /nfs/dbraw/zinc/24/10/75/385241075.db2.gz CBVSSYCSQRCBTH-XBXGTLAGSA-N 1 0 249.354 2.341 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCOC1 ZINC000153881674 385288419 /nfs/dbraw/zinc/28/84/19/385288419.db2.gz RZTWJKZVTFVPFA-GFCCVEGCSA-N 1 0 235.327 2.251 20 10 BECDRO CO[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000191206411 385293468 /nfs/dbraw/zinc/29/34/68/385293468.db2.gz HSHNDXZTHAETJO-QWRGUYRKSA-N 1 0 223.316 2.386 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)CN(C)C)c1ccccc1O ZINC000168723171 385383956 /nfs/dbraw/zinc/38/39/56/385383956.db2.gz PQKSKGXSRNBRPX-AAEUAGOBSA-N 1 0 236.359 2.383 20 10 BECDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168772766 385385006 /nfs/dbraw/zinc/38/50/06/385385006.db2.gz UPEJDQINQRGQLU-GXSJLCMTSA-N 1 0 241.306 2.343 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C(C)C)c1 ZINC000168775128 385385870 /nfs/dbraw/zinc/38/58/70/385385870.db2.gz SSDWPECDKFPJQJ-SMDDNHRTSA-N 1 0 237.343 2.368 20 10 BECDRO CC[C@@H]([NH2+]CCCCO)c1ccccc1O ZINC000193279301 385391153 /nfs/dbraw/zinc/39/11/53/385391153.db2.gz HOPTYMMIADGEQZ-GFCCVEGCSA-N 1 0 223.316 2.205 20 10 BECDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000182426719 385443636 /nfs/dbraw/zinc/44/36/36/385443636.db2.gz HPMVCCNCJQWQST-VHSXEESVSA-N 1 0 209.289 2.078 20 10 BECDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000182426701 385443829 /nfs/dbraw/zinc/44/38/29/385443829.db2.gz HPMVCCNCJQWQST-ZJUUUORDSA-N 1 0 209.289 2.078 20 10 BECDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000295133711 385454842 /nfs/dbraw/zinc/45/48/42/385454842.db2.gz YMLFESDIJIGTAB-NSHDSACASA-N 1 0 249.354 2.261 20 10 BECDRO CC[C@H]([NH2+]C[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000179579902 385475854 /nfs/dbraw/zinc/47/58/54/385475854.db2.gz DWWQRKUAQBFVAE-FZMZJTMJSA-N 1 0 236.359 2.174 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000295138215 385459573 /nfs/dbraw/zinc/45/95/73/385459573.db2.gz ZDVFIHSUOVGFFD-NSHDSACASA-N 1 0 237.343 2.340 20 10 BECDRO CCCC[N@H+](CCO)Cc1cc(C)ccc1O ZINC000270997662 385770444 /nfs/dbraw/zinc/77/04/44/385770444.db2.gz JZSTVPZBSGEXON-UHFFFAOYSA-N 1 0 237.343 2.295 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)O)c(O)c1 ZINC000283993285 385843503 /nfs/dbraw/zinc/84/35/03/385843503.db2.gz HLKMARQFVMYXQZ-MNOVXSKESA-N 1 0 223.316 2.040 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1 ZINC000285418328 385925253 /nfs/dbraw/zinc/92/52/53/385925253.db2.gz GKLPDXROKHJVHF-STQMWFEESA-N 1 0 249.354 2.463 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CO)c(O)c1C ZINC000273399459 385994043 /nfs/dbraw/zinc/99/40/43/385994043.db2.gz MTAWWMCLWVFSGJ-CABZTGNLSA-N 1 0 237.343 2.288 20 10 BECDRO C[C@@]1([NH2+]Cc2ccccc2O)CCO[C@@H]1C1CC1 ZINC000273057724 385964240 /nfs/dbraw/zinc/96/42/40/385964240.db2.gz DKXYRUXQJSLAII-HUUCEWRRSA-N 1 0 247.338 2.439 20 10 BECDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C1COC1 ZINC000295973808 386118200 /nfs/dbraw/zinc/11/82/00/386118200.db2.gz IWKXJZBWPIMVAR-UHFFFAOYSA-N 1 0 248.370 2.362 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN(C)C)cc1 ZINC000287140970 386098674 /nfs/dbraw/zinc/09/86/74/386098674.db2.gz SGIWYPQUOIKAPP-ZDUSSCGKSA-N 1 0 249.402 2.355 20 10 BECDRO Cc1ccc(O)c(C[N@H+](C2CC2)C2COC2)c1 ZINC000296106589 386138364 /nfs/dbraw/zinc/13/83/64/386138364.db2.gz SDISJYVJYKAKSA-UHFFFAOYSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000275971324 386258578 /nfs/dbraw/zinc/25/85/78/386258578.db2.gz LSQZGWRPVLVRAD-AWEZNQCLSA-N 1 0 249.354 2.293 20 10 BECDRO CCC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000226608117 386344950 /nfs/dbraw/zinc/34/49/50/386344950.db2.gz CWMKZLWBCIXHCL-ZDUSSCGKSA-N 1 0 241.306 2.172 20 10 BECDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2O)o1 ZINC000265962881 386386155 /nfs/dbraw/zinc/38/61/55/386386155.db2.gz JKRJGFCOBOPYIX-CYBMUJFWSA-N 1 0 247.294 2.117 20 10 BECDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccccc1O ZINC000228042079 386535900 /nfs/dbraw/zinc/53/59/00/386535900.db2.gz MIAXFEBYQZCSHP-GHMZBOCLSA-N 1 0 223.316 2.204 20 10 BECDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000228042064 386536045 /nfs/dbraw/zinc/53/60/45/386536045.db2.gz MIAXFEBYQZCSHP-QWRGUYRKSA-N 1 0 223.316 2.204 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000228143540 386547053 /nfs/dbraw/zinc/54/70/53/386547053.db2.gz MHDYCQOOTFZYHX-UKRRQHHQSA-N 1 0 247.338 2.454 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCO)cc1 ZINC000268696375 386682140 /nfs/dbraw/zinc/68/21/40/386682140.db2.gz CFSIEWOANKCRII-LBPRGKRZSA-N 1 0 236.359 2.176 20 10 BECDRO CCOc1cccc(C[N@H+](C)CCF)c1O ZINC000293613989 386662525 /nfs/dbraw/zinc/66/25/25/386662525.db2.gz KFGZMIJIADFXCR-UHFFFAOYSA-N 1 0 227.279 2.192 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCO)cc1 ZINC000268696373 386682406 /nfs/dbraw/zinc/68/24/06/386682406.db2.gz CFSIEWOANKCRII-GFCCVEGCSA-N 1 0 236.359 2.176 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1C ZINC000295114536 386692962 /nfs/dbraw/zinc/69/29/62/386692962.db2.gz VNPWZRHSVJKLSU-KGLIPLIRSA-N 1 0 249.354 2.254 20 10 BECDRO CO[C@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000191203861 386774211 /nfs/dbraw/zinc/77/42/11/386774211.db2.gz KFCFFPLMFWGSAL-SECBINFHSA-N 1 0 243.734 2.479 20 10 BECDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000191651262 387038932 /nfs/dbraw/zinc/03/89/32/387038932.db2.gz YLBPQGDIDJNASS-AXFHLTTASA-N 1 0 223.316 2.466 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373328981 387357446 /nfs/dbraw/zinc/35/74/46/387357446.db2.gz SWBPLNNSFFBFEF-OAHLLOKOSA-N 1 0 247.338 2.047 20 10 BECDRO C[NH+](C)Cc1c(O)cccc1Br ZINC000575553063 387655796 /nfs/dbraw/zinc/65/57/96/387655796.db2.gz UDCWEPRMJQEUHU-UHFFFAOYSA-N 1 0 230.105 2.216 20 10 BECDRO C[C@H]([NH2+]CC12CC(C1)CO2)c1ccccc1O ZINC000527985280 387802122 /nfs/dbraw/zinc/80/21/22/387802122.db2.gz UQLMRCGGNXMFPJ-IFQILLTASA-N 1 0 233.311 2.222 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2COC2)c(O)c1 ZINC000528024276 387828280 /nfs/dbraw/zinc/82/82/80/387828280.db2.gz DQKWGJHQZPLLNT-LLVKDONJSA-N 1 0 235.327 2.306 20 10 BECDRO CC[C@@H]([NH2+]CC1COC1)c1ccc(C)cc1O ZINC000528025945 387830703 /nfs/dbraw/zinc/83/07/03/387830703.db2.gz HDZXJYYWFLSBKR-CYBMUJFWSA-N 1 0 235.327 2.388 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCOC2)cc1 ZINC000075171625 387838050 /nfs/dbraw/zinc/83/80/50/387838050.db2.gz UKVYCJNCAXJRDV-CYBMUJFWSA-N 1 0 234.343 2.021 20 10 BECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cn[nH]c1 ZINC000296670248 388425527 /nfs/dbraw/zinc/42/55/27/388425527.db2.gz FUMUVMUVZLREHZ-JOYOIKCWSA-N 1 0 243.310 2.453 20 10 BECDRO CC[C@@H](CCO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297625791 388430508 /nfs/dbraw/zinc/43/05/08/388430508.db2.gz JBYNRZCFBRIEAH-AAEUAGOBSA-N 1 0 249.354 2.378 20 10 BECDRO CO[C@@H](C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297895358 388432340 /nfs/dbraw/zinc/43/23/40/388432340.db2.gz VTXSENWHPXGHSF-JQWIXIFHSA-N 1 0 235.327 2.394 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC2=CCCOC2)c1 ZINC000288463190 388626540 /nfs/dbraw/zinc/62/65/40/388626540.db2.gz OHKSCJSBSZIGHH-UHFFFAOYSA-N 1 0 233.311 2.137 20 10 BECDRO CO[C@H](C)CC[NH2+]Cc1cc(F)ccc1O ZINC000272522306 389032840 /nfs/dbraw/zinc/03/28/40/389032840.db2.gz YKTRILOPKLIHJR-SECBINFHSA-N 1 0 227.279 2.046 20 10 BECDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccccc1O ZINC000271654868 389024124 /nfs/dbraw/zinc/02/41/24/389024124.db2.gz JTNBRKRILSXZLA-SNVBAGLBSA-N 1 0 223.316 2.204 20 10 BECDRO CO[C@@H](C[NH2+]Cc1cccc(C)c1O)C(C)C ZINC000271829522 389026097 /nfs/dbraw/zinc/02/60/97/389026097.db2.gz OKQVTIWAGXLUQD-ZDUSSCGKSA-N 1 0 237.343 2.461 20 10 BECDRO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1O ZINC000272852009 389035760 /nfs/dbraw/zinc/03/57/60/389035760.db2.gz LFZGVSFFMAODJK-MFKMUULPSA-N 1 0 237.343 2.450 20 10 BECDRO C[C@@H]1C[C@@H]1C[NH2+]CCc1ccc(N)cc1 ZINC000167543351 134004489 /nfs/dbraw/zinc/00/44/89/134004489.db2.gz TWIBCSBZQSBIMH-ZYHUDNBSSA-N 1 0 204.317 2.057 20 10 BECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000185817012 397873628 /nfs/dbraw/zinc/87/36/28/397873628.db2.gz UTIXBKVNHGVLPO-BAABZTOOSA-N 1 0 247.338 2.038 20 10 BECDRO CCSCC[NH2+]Cc1ccccc1O ZINC000162959595 397960235 /nfs/dbraw/zinc/96/02/35/397960235.db2.gz QGKGJCHURJQHNF-UHFFFAOYSA-N 1 0 211.330 2.235 20 10 BECDRO CC1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226614221 168146909 /nfs/dbraw/zinc/14/69/09/168146909.db2.gz HIZXVMVHQSHYMS-UHFFFAOYSA-N 1 0 209.264 2.419 20 10 BECDRO CCOCCC[NH2+][C@@H](C)c1ccccc1O ZINC000019962912 170381446 /nfs/dbraw/zinc/38/14/46/170381446.db2.gz KTKIOXLQWPGIJH-NSHDSACASA-N 1 0 223.316 2.469 20 10 BECDRO CCOCC[N@H+](C)Cc1cccc(C)c1O ZINC000165419137 170389706 /nfs/dbraw/zinc/38/97/06/170389706.db2.gz XWXMTAURHFTZQF-UHFFFAOYSA-N 1 0 223.316 2.169 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@@H]1O ZINC000271244467 171087988 /nfs/dbraw/zinc/08/79/88/171087988.db2.gz BUTKZVBYTHHKCH-DOMZBBRYSA-N 1 0 249.354 2.212 20 10 BECDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000080886581 171171364 /nfs/dbraw/zinc/17/13/64/171171364.db2.gz RHBSIKJNAUINOZ-AWEZNQCLSA-N 1 0 237.343 2.254 20 10 BECDRO CC[C@](C)(CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000080886582 171695275 /nfs/dbraw/zinc/69/52/75/171695275.db2.gz RHBSIKJNAUINOZ-CQSZACIVSA-N 1 0 237.343 2.254 20 10 BECDRO CCn1cc([C@@H](C)[NH2+]Cc2ccccc2O)cn1 ZINC000130435172 172194471 /nfs/dbraw/zinc/19/44/71/172194471.db2.gz OYJKZWJVWBYYLT-LLVKDONJSA-N 1 0 245.326 2.459 20 10 BECDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000284187030 174109113 /nfs/dbraw/zinc/10/91/13/174109113.db2.gz XZWVFMZWSMXOFN-UHFFFAOYSA-N 1 0 248.370 2.411 20 10 BECDRO COCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296012556 174202768 /nfs/dbraw/zinc/20/27/68/174202768.db2.gz PAEBJFOVWQSENI-GFCCVEGCSA-N 1 0 235.327 2.396 20 10 BECDRO COCCCC[NH2+][C@H](C)c1ccccc1O ZINC000044655466 174203465 /nfs/dbraw/zinc/20/34/65/174203465.db2.gz MIBWSAFSEXQKEO-LLVKDONJSA-N 1 0 223.316 2.469 20 10 BECDRO COCCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296012558 174204072 /nfs/dbraw/zinc/20/40/72/174204072.db2.gz PAEBJFOVWQSENI-LBPRGKRZSA-N 1 0 235.327 2.396 20 10 BECDRO COC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000019904571 174550770 /nfs/dbraw/zinc/55/07/70/174550770.db2.gz RCIMZZPCEAFRNX-UWVGGRQHSA-N 1 0 209.289 2.078 20 10 BECDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000191209621 174706123 /nfs/dbraw/zinc/70/61/23/174706123.db2.gz BZKFSIZQFBJAFO-WDEREUQCSA-N 1 0 223.316 2.386 20 10 BECDRO COc1ccc(C[NH2+]CCC[C@@H](C)O)cc1C ZINC000227958371 175106619 /nfs/dbraw/zinc/10/66/19/175106619.db2.gz OOCKTTKHUGVMJP-GFCCVEGCSA-N 1 0 237.343 2.254 20 10 BECDRO COc1ccc(O)c(C[NH2+]CCc2ccco2)c1 ZINC000035661467 175159040 /nfs/dbraw/zinc/15/90/40/175159040.db2.gz GYLIJLMURKCCLI-UHFFFAOYSA-N 1 0 247.294 2.326 20 10 BECDRO COc1ccc(O)c(C[NH2+]Cc2ccccn2)c1 ZINC000020091763 175159283 /nfs/dbraw/zinc/15/92/83/175159283.db2.gz AGTATZROGIUEJM-UHFFFAOYSA-N 1 0 244.294 2.086 20 10 BECDRO COc1ccc(O)c([C@@H](C)[NH2+]C(C)C)c1 ZINC000019880735 175159846 /nfs/dbraw/zinc/15/98/46/175159846.db2.gz PQBQMTFSVVWIRD-SECBINFHSA-N 1 0 209.289 2.460 20 10 BECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC2)c1 ZINC000021960809 175160032 /nfs/dbraw/zinc/16/00/32/175160032.db2.gz DHJMGVZTDGYGAK-MRVPVSSYSA-N 1 0 207.273 2.214 20 10 BECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)OC)c1 ZINC000182434768 175160044 /nfs/dbraw/zinc/16/00/44/175160044.db2.gz LTLOZWOLUOYZNP-UWVGGRQHSA-N 1 0 239.315 2.086 20 10 BECDRO COc1cccc(C[N@@H+]2CCC[C@H]2C)c1O ZINC000132652984 175257997 /nfs/dbraw/zinc/25/79/97/175257997.db2.gz HDDRHGVTEQDHHB-SNVBAGLBSA-N 1 0 221.300 2.385 20 10 BECDRO COc1cccc(C[NH2+][C@H](C)CSC)c1O ZINC000076768957 175268273 /nfs/dbraw/zinc/26/82/73/175268273.db2.gz OANYDHQRQRLHNX-SECBINFHSA-N 1 0 241.356 2.242 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCOC1 ZINC000135202156 175897921 /nfs/dbraw/zinc/89/79/21/175897921.db2.gz TWHFMJBJCWTMME-RISCZKNCSA-N 1 0 247.338 2.136 20 10 BECDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277665273 176344965 /nfs/dbraw/zinc/34/49/65/176344965.db2.gz FUIFKUBNSCJLHG-BXUZGUMPSA-N 1 0 247.338 2.136 20 10 BECDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1O ZINC000278559642 176924701 /nfs/dbraw/zinc/92/47/01/176924701.db2.gz OZTIGFDMUFHJSJ-GVXVVHGQSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@H]1CC[C@H](C[N@H+](C)Cc2ccccc2O)O1 ZINC000190860968 177200981 /nfs/dbraw/zinc/20/09/81/177200981.db2.gz RYTOPCITNQFVAQ-WCQYABFASA-N 1 0 235.327 2.392 20 10 BECDRO C[C@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CO1 ZINC000217777415 177265843 /nfs/dbraw/zinc/26/58/43/177265843.db2.gz YBIJZSUQEIAVTR-QWRGUYRKSA-N 1 0 221.300 2.001 20 10 BECDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000191749630 177296967 /nfs/dbraw/zinc/29/69/67/177296967.db2.gz HQZGQBFNIKRFGY-SWLSCSKDSA-N 1 0 248.370 2.267 20 10 BECDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000136095775 177345966 /nfs/dbraw/zinc/34/59/66/177345966.db2.gz DYEIQGMPQQXOMN-GXFFZTMASA-N 1 0 217.312 2.367 20 10 BECDRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000226617592 177370679 /nfs/dbraw/zinc/37/06/79/177370679.db2.gz STTYLWNMTUXDOR-JOYOIKCWSA-N 1 0 239.290 2.188 20 10 BECDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1O ZINC000530219812 323218159 /nfs/dbraw/zinc/21/81/59/323218159.db2.gz MZUIHFKIRQTVQY-SMDDNHRTSA-N 1 0 246.354 2.327 20 10 BECDRO CC[C@H](COC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297573468 490308297 /nfs/dbraw/zinc/30/82/97/490308297.db2.gz GUSKRBSNXONXME-VXGBXAGGSA-N 1 0 235.327 2.394 20 10 BECDRO CC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892429024 582885182 /nfs/dbraw/zinc/88/51/82/582885182.db2.gz APTSKAZTKNKBDT-VIFPVBQESA-N 1 0 239.315 2.298 20 10 BECDRO CC[C@H](N[C@H](C)C[NH2+]C)c1ccc(C)cc1O ZINC000854231353 588781479 /nfs/dbraw/zinc/78/14/79/588781479.db2.gz GHITXXGFHBDPSQ-YPMHNXCESA-N 1 0 236.359 2.349 20 10 BECDRO CC[C@@H](N[C@H](C)C[NH2+]C)c1ccc(C)cc1O ZINC000854231351 588781483 /nfs/dbraw/zinc/78/14/83/588781483.db2.gz GHITXXGFHBDPSQ-DGCLKSJQSA-N 1 0 236.359 2.349 20 10 BECDRO CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000112465870 588799143 /nfs/dbraw/zinc/79/91/43/588799143.db2.gz IQRRNOGBMLZJNI-LLVKDONJSA-N 1 0 249.310 2.495 20 10 BECDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297677348 582684424 /nfs/dbraw/zinc/68/44/24/582684424.db2.gz LITRGGGYUGOBLM-GMXVVIOVSA-N 1 0 249.354 2.376 20 10 BECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccno2)c1 ZINC000223739689 582816049 /nfs/dbraw/zinc/81/60/49/582816049.db2.gz YEIKPHAOCFTUAS-VIFPVBQESA-N 1 0 248.282 2.240 20 10 BECDRO COCC[C@@H](C)C[NH2+]Cc1ccccc1O ZINC000840955545 583183691 /nfs/dbraw/zinc/18/36/91/583183691.db2.gz SOJSNIOKHZGSOD-LLVKDONJSA-N 1 0 223.316 2.154 20 10 BECDRO CC[C@]1(O)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877440489 583314343 /nfs/dbraw/zinc/31/43/43/583314343.db2.gz ABUYPBIJPXSUBZ-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ncoc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000894161721 583320879 /nfs/dbraw/zinc/32/08/79/583320879.db2.gz XACRUAGKKSPAPU-UHFFFAOYSA-N 1 0 245.326 2.339 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c(O)c1 ZINC000877578858 583336257 /nfs/dbraw/zinc/33/62/57/583336257.db2.gz NZDRQTGJHUZCCL-DGCLKSJQSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CC2(C1)CCCOC2 ZINC000877580027 583336923 /nfs/dbraw/zinc/33/69/23/583336923.db2.gz DRSUKYSJFODVLW-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1nc(CN(C)Cc2ccc(C)cc2O)no1 ZINC000877642504 583341441 /nfs/dbraw/zinc/34/14/41/583341441.db2.gz YCARNRRFSSSXEU-UHFFFAOYSA-N 1 0 247.298 2.024 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2CC23CC3)c(O)c1OC ZINC000895009376 583567383 /nfs/dbraw/zinc/56/73/83/583567383.db2.gz WHQRHEVQTMLRIQ-LLVKDONJSA-N 1 0 249.310 2.052 20 10 BECDRO Cc1ccc(C[NH2+]CCc2ccns2)c(O)c1 ZINC000895528035 583685152 /nfs/dbraw/zinc/68/51/52/583685152.db2.gz SANUWSAZEGHJFS-UHFFFAOYSA-N 1 0 248.351 2.489 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847889 583736770 /nfs/dbraw/zinc/73/67/70/583736770.db2.gz XFGQLZLZJZRSCV-ZFWWWQNUSA-N 1 0 247.338 2.393 20 10 BECDRO CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858088498 588931516 /nfs/dbraw/zinc/93/15/16/588931516.db2.gz HDVNEUFBMFMNMW-UHFFFAOYSA-N 1 0 214.259 2.140 20 10 BECDRO C/C=C\C[NH2+]Cc1c(O)cccc1OC ZINC000858291390 588942365 /nfs/dbraw/zinc/94/23/65/588942365.db2.gz XPRKESUCJNHRRU-ARJAWSKDSA-N 1 0 207.273 2.067 20 10 BECDRO C/C=C/C[NH2+]Cc1cc(OCC)ccc1O ZINC000858289968 588942414 /nfs/dbraw/zinc/94/24/14/588942414.db2.gz CEOXRDQRAWLCSU-HWKANZROSA-N 1 0 221.300 2.457 20 10 BECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2COC2)cc1 ZINC000858298978 588943203 /nfs/dbraw/zinc/94/32/03/588943203.db2.gz XKCREKRWTAMKDZ-ARJAWSKDSA-N 1 0 246.354 2.002 20 10 BECDRO Cc1cc(O)c(CNC[C@@H]2CCCC[NH2+]2)cc1C ZINC000841033188 584032027 /nfs/dbraw/zinc/03/20/27/584032027.db2.gz OUQKZTPTPRPOHS-AWEZNQCLSA-N 1 0 248.370 2.241 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CC23CC(O)C3)cc1C ZINC000897849968 584054655 /nfs/dbraw/zinc/05/46/55/584054655.db2.gz CEVGKNOYNSTRQD-BLZCZZARSA-N 1 0 247.338 2.012 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c(O)c1 ZINC000898377436 584113984 /nfs/dbraw/zinc/11/39/84/584113984.db2.gz VABUBLBMUOUCTF-UONOGXRCSA-N 1 0 247.338 2.215 20 10 BECDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCCC2)cc1 ZINC000841045908 584123692 /nfs/dbraw/zinc/12/36/92/584123692.db2.gz SOTULNHHUPIUTI-OAHLLOKOSA-N 1 0 247.386 2.285 20 10 BECDRO Cc1ccc([C@@H](C)N[C@H]2C[NH2+]CC2(C)C)c(O)c1 ZINC000902450550 584606785 /nfs/dbraw/zinc/60/67/85/584606785.db2.gz TWKMSDFXYSGGTL-RISCZKNCSA-N 1 0 248.370 2.349 20 10 BECDRO OC[C@H]1CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000902628754 584646471 /nfs/dbraw/zinc/64/64/71/584646471.db2.gz DMWJLOJRKHASMP-GFCCVEGCSA-N 1 0 243.306 2.112 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C)c(O)c1C ZINC000903319421 584746472 /nfs/dbraw/zinc/74/64/72/584746472.db2.gz ZCGCARAENWWXJY-OLZOCXBDSA-N 1 0 248.370 2.364 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCN2C)c(O)c1 ZINC000903315894 584749565 /nfs/dbraw/zinc/74/95/65/584749565.db2.gz ABCLAERTGUNCLM-STQMWFEESA-N 1 0 248.370 2.364 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@H](O)C1CC1)CC2 ZINC000903407484 584758825 /nfs/dbraw/zinc/75/88/25/584758825.db2.gz OPZSXGOCKDNMNV-CHWSQXEVSA-N 1 0 247.338 2.130 20 10 BECDRO COC1C[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC000738225300 584885445 /nfs/dbraw/zinc/88/54/45/584885445.db2.gz MHMFQIZOUVIQTA-UHFFFAOYSA-N 1 0 243.306 2.376 20 10 BECDRO C[N@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCOC1 ZINC000730260088 584897096 /nfs/dbraw/zinc/89/70/96/584897096.db2.gz LDYNTYJZIIURJW-AWEZNQCLSA-N 1 0 247.338 2.102 20 10 BECDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000738052086 585040605 /nfs/dbraw/zinc/04/06/05/585040605.db2.gz DYFXQUTWYRWRQS-UHFFFAOYSA-N 1 0 249.310 2.495 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000839141528 585094410 /nfs/dbraw/zinc/09/44/10/585094410.db2.gz SADJTBPIYYXOJD-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO CCOC1(C)C[NH+](Cc2cc(C)ccc2O)C1 ZINC000839141796 585094866 /nfs/dbraw/zinc/09/48/66/585094866.db2.gz ADQOYHUXKKOTOZ-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1O ZINC000839191842 585097531 /nfs/dbraw/zinc/09/75/31/585097531.db2.gz KPFHIXJIZAXIGF-YPMHNXCESA-N 1 0 221.300 2.049 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(C)C2)cc1C ZINC000742367824 585125155 /nfs/dbraw/zinc/12/51/55/585125155.db2.gz KRKUOHKAFNODOL-AWEZNQCLSA-N 1 0 248.370 2.193 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)CC2(C)COC2)cc1 ZINC000743839899 585140462 /nfs/dbraw/zinc/14/04/62/585140462.db2.gz INYNFWKNCAVQOI-UHFFFAOYSA-N 1 0 248.370 2.221 20 10 BECDRO Oc1cc2c(cc1C[N@@H+]1CCCOCC1)CCC2 ZINC000748073099 585186873 /nfs/dbraw/zinc/18/68/73/585186873.db2.gz RMQJVZMJBJRLLC-UHFFFAOYSA-N 1 0 247.338 2.103 20 10 BECDRO CN(C)c1ccc(C[N@H+](C)C2CCOCC2)cc1 ZINC000750924086 585222149 /nfs/dbraw/zinc/22/21/49/585222149.db2.gz KJUYYAKENXMTAB-UHFFFAOYSA-N 1 0 248.370 2.363 20 10 BECDRO C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756343223 585317897 /nfs/dbraw/zinc/31/78/97/585317897.db2.gz VQRTZBFJSCXPPW-KHQFGBGNSA-N 1 0 239.290 2.050 20 10 BECDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756342845 585317969 /nfs/dbraw/zinc/31/79/69/585317969.db2.gz MCPYSGLIHWTREP-NEPJUHHUSA-N 1 0 237.343 2.431 20 10 BECDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756342850 585318072 /nfs/dbraw/zinc/31/80/72/585318072.db2.gz MCPYSGLIHWTREP-VXGBXAGGSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)O)c(O)c1C ZINC000756564328 585321178 /nfs/dbraw/zinc/32/11/78/585321178.db2.gz SNBHJJWYIMYHHU-NSHDSACASA-N 1 0 237.343 2.431 20 10 BECDRO COc1cccc(O)c1C[N@H+](C)CC1CC1 ZINC000768915437 585545813 /nfs/dbraw/zinc/54/58/13/585545813.db2.gz MWFFJBVVIRXFJN-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO Cc1ccc(O)c(C[N@H+](CCCO)C2CC2)c1 ZINC000769405810 585555611 /nfs/dbraw/zinc/55/56/11/585555611.db2.gz YMIWHTGNZKSZBO-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO OC[C@@H]([NH2+]Cc1ccccc1O)c1ccsc1 ZINC000769936250 585566507 /nfs/dbraw/zinc/56/65/07/585566507.db2.gz VDMPVQKVEPTCEM-GFCCVEGCSA-N 1 0 249.335 2.277 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCOC1 ZINC000771853190 585602615 /nfs/dbraw/zinc/60/26/15/585602615.db2.gz LPWNEWWWCHDFLU-ZDUSSCGKSA-N 1 0 248.370 2.187 20 10 BECDRO Cc1cccc(C[N@@H+]2CCC[C@H](CCO)C2)c1O ZINC000775681231 585683195 /nfs/dbraw/zinc/68/31/95/585683195.db2.gz NRXRLOBGRXKHOD-CYBMUJFWSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1cccc(C[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000777483036 585713526 /nfs/dbraw/zinc/71/35/26/585713526.db2.gz BTAVXPRBLIKIJT-LBPRGKRZSA-N 1 0 248.370 2.132 20 10 BECDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccccc1O ZINC000777824411 585720764 /nfs/dbraw/zinc/72/07/64/585720764.db2.gz FBQVPOFHWAVVHU-JSGCOSHPSA-N 1 0 248.370 2.164 20 10 BECDRO Oc1ccccc1C[NH2+]Cc1ccc(F)nc1 ZINC000778165683 585726652 /nfs/dbraw/zinc/72/66/52/585726652.db2.gz POPUOMVTOPBOCY-UHFFFAOYSA-N 1 0 232.258 2.216 20 10 BECDRO COc1cc(C[N@H+]2CC=CCC2)c(O)cc1C ZINC000778576270 585737351 /nfs/dbraw/zinc/73/73/51/585737351.db2.gz FNJSEUGJAXNFTR-UHFFFAOYSA-N 1 0 233.311 2.471 20 10 BECDRO COc1ccc(O)c(C[N@H+]2CC=CCC2)c1 ZINC000779159399 585746107 /nfs/dbraw/zinc/74/61/07/585746107.db2.gz IOXZLEAZBZJYAO-UHFFFAOYSA-N 1 0 219.284 2.163 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[C@@H](C)O)cc1C ZINC000782979056 585826579 /nfs/dbraw/zinc/82/65/79/585826579.db2.gz NIGLQCUOQQYPRG-NWDGAFQWSA-N 1 0 237.343 2.258 20 10 BECDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)ncn1 ZINC000783526753 585836106 /nfs/dbraw/zinc/83/61/06/585836106.db2.gz YXUVICRJRGZEKU-LLVKDONJSA-N 1 0 243.310 2.341 20 10 BECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000788268504 585919978 /nfs/dbraw/zinc/91/99/78/585919978.db2.gz DVSFCMQEYSFKQB-LDYMZIIASA-N 1 0 241.718 2.001 20 10 BECDRO COc1cccc(C[NH+]2[C@H](C)C[C@H]2C)c1O ZINC000793220813 586014349 /nfs/dbraw/zinc/01/43/49/586014349.db2.gz QREUSXHJPRCEPB-NXEZZACHSA-N 1 0 221.300 2.384 20 10 BECDRO COc1cccc(O)c1C[NH+]1[C@H](C)C[C@H]1C ZINC000793220035 586014456 /nfs/dbraw/zinc/01/44/56/586014456.db2.gz JIQCLNFZMGQXBJ-NXEZZACHSA-N 1 0 221.300 2.384 20 10 BECDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000796496449 586105190 /nfs/dbraw/zinc/10/51/90/586105190.db2.gz AKVGTNQZDNATDA-NEPJUHHUSA-N 1 0 235.327 2.154 20 10 BECDRO Cc1cccc(NCCc2ccc(O)c(O)c2)[nH+]1 ZINC000811810787 586567145 /nfs/dbraw/zinc/56/71/45/586567145.db2.gz CDMKKGTZRDLZAP-UHFFFAOYSA-N 1 0 244.294 2.456 20 10 BECDRO CCN(C)c1ccc(C[N@H+](C)C2(CO)CC2)cc1 ZINC000815118495 586667147 /nfs/dbraw/zinc/66/71/47/586667147.db2.gz WJANBRPFUCCHLE-UHFFFAOYSA-N 1 0 248.370 2.099 20 10 BECDRO C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000816538021 586738942 /nfs/dbraw/zinc/73/89/42/586738942.db2.gz BLXIFFUQULTDLQ-SNVBAGLBSA-N 1 0 231.295 2.016 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000816649131 586751762 /nfs/dbraw/zinc/75/17/62/586751762.db2.gz URQBEHJEVSLERC-NXEZZACHSA-N 1 0 221.300 2.241 20 10 BECDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817941260 586844930 /nfs/dbraw/zinc/84/49/30/586844930.db2.gz PBIUIBUHVRLDRO-GXTWGEPZSA-N 1 0 247.386 2.155 20 10 BECDRO CC[C@H](N[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944855 586846621 /nfs/dbraw/zinc/84/66/21/586846621.db2.gz NRPKCZUYIAWQEH-ZFWWWQNUSA-N 1 0 247.386 2.155 20 10 BECDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccccc1O ZINC000817950064 586847370 /nfs/dbraw/zinc/84/73/70/586847370.db2.gz RKCIMZYHWXXODO-RYUDHWBXSA-N 1 0 234.343 2.185 20 10 BECDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000817952791 586848890 /nfs/dbraw/zinc/84/88/90/586848890.db2.gz SGEBBPOLUHUUSZ-TZMCWYRMSA-N 1 0 247.386 2.155 20 10 BECDRO CC[NH2+]CCN[C@@H](C)c1cc(Cl)ccc1O ZINC000817953272 586849245 /nfs/dbraw/zinc/84/92/45/586849245.db2.gz YFWWRKIXNHWRKA-VIFPVBQESA-N 1 0 242.750 2.306 20 10 BECDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817957339 586850330 /nfs/dbraw/zinc/85/03/30/586850330.db2.gz BAVKARBSSNHTGQ-SWLSCSKDSA-N 1 0 249.402 2.387 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H](CN)C2CC2)c(O)c1C ZINC000817961305 586852613 /nfs/dbraw/zinc/85/26/13/586852613.db2.gz WWXHVOJFGMUKBC-BXUZGUMPSA-N 1 0 248.370 2.397 20 10 BECDRO C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1[O-] ZINC000817965235 586854069 /nfs/dbraw/zinc/85/40/69/586854069.db2.gz RLYYPVVKDNZYMG-SECBINFHSA-N 1 0 238.306 2.063 20 10 BECDRO C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccccc1O ZINC000817967839 586856238 /nfs/dbraw/zinc/85/62/38/586856238.db2.gz MLBAJMPNWKQSPA-GVXVVHGQSA-N 1 0 234.343 2.041 20 10 BECDRO C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccccc1O ZINC000817967842 586856269 /nfs/dbraw/zinc/85/62/69/586856269.db2.gz MLBAJMPNWKQSPA-MDZLAQPJSA-N 1 0 234.343 2.041 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CNCC[C@H]2C)c1 ZINC000817969314 586856320 /nfs/dbraw/zinc/85/63/20/586856320.db2.gz UOPTUHIOBYOFIV-DYEKYZERSA-N 1 0 248.370 2.349 20 10 BECDRO CC[C@@H]([NH2+][C@@H](C)CN)c1ccc(C)cc1O ZINC000817969619 586856328 /nfs/dbraw/zinc/85/63/28/586856328.db2.gz FCGAOZLJSFONCJ-CMPLNLGQSA-N 1 0 222.332 2.089 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2C)c1 ZINC000817969319 586856848 /nfs/dbraw/zinc/85/68/48/586856848.db2.gz UOPTUHIOBYOFIV-SGMGOOAPSA-N 1 0 248.370 2.349 20 10 BECDRO CC[C@@H]([NH2+][C@H](C)CN)c1ccc(N(C)C)cc1 ZINC000817966944 586856930 /nfs/dbraw/zinc/85/69/30/586856930.db2.gz ZZEMRYNDGZXZNT-BXUZGUMPSA-N 1 0 235.375 2.141 20 10 BECDRO CC[NH2+][C@H](C)CN[C@H](C)c1cc(F)ccc1O ZINC000817971843 586858680 /nfs/dbraw/zinc/85/86/80/586858680.db2.gz HSKRDOBHAAUGQL-NXEZZACHSA-N 1 0 240.322 2.180 20 10 BECDRO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825070839 587303016 /nfs/dbraw/zinc/30/30/16/587303016.db2.gz MZADTJNNMRSCOF-SNVBAGLBSA-N 1 0 243.734 2.215 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@H](CCCO)C2)c1O ZINC000825338764 587315833 /nfs/dbraw/zinc/31/58/33/587315833.db2.gz UMFXKPCAUQERRD-ZDUSSCGKSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC2)cc1Cl ZINC000825371433 587317606 /nfs/dbraw/zinc/31/76/06/587317606.db2.gz XIYRRNXNIKTHAV-SNVBAGLBSA-N 1 0 241.718 2.233 20 10 BECDRO Cc1cc(O)c(C[NH2+]C(C)(C)CO)cc1Cl ZINC000825425600 587318624 /nfs/dbraw/zinc/31/86/24/587318624.db2.gz DHYDQNALYGQOIX-UHFFFAOYSA-N 1 0 243.734 2.215 20 10 BECDRO COCCC1C[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000826898958 587364880 /nfs/dbraw/zinc/36/48/80/587364880.db2.gz BRLFNLKYRMLIIM-UHFFFAOYSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1cccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1O ZINC000827151986 587371182 /nfs/dbraw/zinc/37/11/82/587371182.db2.gz ONTBQQZFUSAJIF-VXGBXAGGSA-N 1 0 249.354 2.149 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506315 587384618 /nfs/dbraw/zinc/38/46/18/587384618.db2.gz GKXLBCBOBFZCQZ-NXEZZACHSA-N 1 0 221.275 2.373 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)C2(CO)CCC2)c1 ZINC000827904021 587409459 /nfs/dbraw/zinc/40/94/59/587409459.db2.gz SZANLBFSUWCVBY-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO OCC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000834669395 587763621 /nfs/dbraw/zinc/76/36/21/587763621.db2.gz XLXVZEFNGIMUPR-STQMWFEESA-N 1 0 247.338 2.130 20 10 BECDRO COCC1([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834729803 587765024 /nfs/dbraw/zinc/76/50/24/587765024.db2.gz KZPVZHBXXDXVPY-NSHDSACASA-N 1 0 233.311 2.148 20 10 BECDRO C[C@@H](CCO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040098 587779311 /nfs/dbraw/zinc/77/93/11/587779311.db2.gz OBTHQISTUHAHPN-IHVVCDCBSA-N 1 0 248.370 2.126 20 10 BECDRO CC[C@@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000835033656 587779316 /nfs/dbraw/zinc/77/93/16/587779316.db2.gz IKTDRYPPFNMJDV-SECBINFHSA-N 1 0 209.289 2.289 20 10 BECDRO CC[C@@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036770 587779455 /nfs/dbraw/zinc/77/94/55/587779455.db2.gz QXHGGFFGEQIVQQ-GXMNPTEKSA-N 1 0 248.370 2.126 20 10 BECDRO CN(C)c1ccc(/C=C/C[N@H+](C)CCCO)cc1 ZINC000835052131 587779682 /nfs/dbraw/zinc/77/96/82/587779682.db2.gz OFLWQZURWYOMBX-GQCTYLIASA-N 1 0 248.370 2.080 20 10 BECDRO CN(C)c1ccc(CNc2[nH+]ccn2C)cc1F ZINC000840887784 587928322 /nfs/dbraw/zinc/92/83/22/587928322.db2.gz PKVFKJMUGVLXMF-UHFFFAOYSA-N 1 0 248.305 2.237 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000840908308 587928905 /nfs/dbraw/zinc/92/89/05/587928905.db2.gz RSUPIPNBYJVUKN-OAHLLOKOSA-N 1 0 248.370 2.018 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(CO)CCC1 ZINC000840936934 587930866 /nfs/dbraw/zinc/93/08/66/587930866.db2.gz NSLNWGMOJRUKKX-UHFFFAOYSA-N 1 0 248.370 2.066 20 10 BECDRO COC1([C@@H](C)[NH2+]Cc2ccccc2O)CCC1 ZINC000840969542 587933301 /nfs/dbraw/zinc/93/33/01/587933301.db2.gz HVEXUJFROIIJED-LLVKDONJSA-N 1 0 235.327 2.439 20 10 BECDRO CC(C)(C)[NH2+]CCNc1ccc(N)cc1 ZINC000841040367 587938447 /nfs/dbraw/zinc/93/84/47/587938447.db2.gz KZNHMMGWUHSGNJ-UHFFFAOYSA-N 1 0 207.321 2.069 20 10 BECDRO CN(C)c1ccc([C@H](N)C[NH2+]CC(C)(C)C)cc1 ZINC000841044907 587938954 /nfs/dbraw/zinc/93/89/54/587938954.db2.gz ZTEWLHQJBGHLAS-CQSZACIVSA-N 1 0 249.402 2.388 20 10 BECDRO CC[C@@H](C)C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046011 587939397 /nfs/dbraw/zinc/93/93/97/587939397.db2.gz UKQHTTCJVPAVFB-DOMZBBRYSA-N 1 0 249.402 2.388 20 10 BECDRO CC[C@@H]([NH3+])CNC/C=C\c1ccc(N(C)C)cc1 ZINC000841071375 587942507 /nfs/dbraw/zinc/94/25/07/587942507.db2.gz FDMYLCLQAOSLBD-GEXIGZQTSA-N 1 0 247.386 2.093 20 10 BECDRO CCN(CC)c1ccc(CN[C@H](C)[C@H](C)[NH3+])cc1 ZINC000841078056 587944742 /nfs/dbraw/zinc/94/47/42/587944742.db2.gz FBQJWXAHSXVXPJ-QWHCGFSZSA-N 1 0 249.402 2.358 20 10 BECDRO Cc1cccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c1O ZINC000841105279 587946434 /nfs/dbraw/zinc/94/64/34/587946434.db2.gz HOKVJEXANMBDKN-HNNXBMFYSA-N 1 0 246.354 2.029 20 10 BECDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745119 587973871 /nfs/dbraw/zinc/97/38/71/587973871.db2.gz UQCDBNPNUUIQLY-WCBMZHEXSA-N 1 0 243.734 2.467 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000841892234 587982244 /nfs/dbraw/zinc/98/22/44/587982244.db2.gz ZWRGBJSZIWAAPM-OTVXOJSOSA-N 1 0 248.370 2.064 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000842681940 588052107 /nfs/dbraw/zinc/05/21/07/588052107.db2.gz VQMGIZVLDMHSFX-JSGCOSHPSA-N 1 0 248.370 2.328 20 10 BECDRO C[NH2+][C@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 ZINC000843048688 588076703 /nfs/dbraw/zinc/07/67/03/588076703.db2.gz PTNHSOGVRCZOPC-AWEZNQCLSA-N 1 0 248.370 2.193 20 10 BECDRO Cc1cccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1O ZINC000843055709 588077615 /nfs/dbraw/zinc/07/76/15/588077615.db2.gz OGVFHLBDBXCIOO-CQSZACIVSA-N 1 0 246.354 2.027 20 10 BECDRO C[NH2+]CCN(C)Cc1c(O)cc(C)cc1Cl ZINC000843057472 588077976 /nfs/dbraw/zinc/07/79/76/588077976.db2.gz OASANMGZXVYAKQ-UHFFFAOYSA-N 1 0 242.750 2.005 20 10 BECDRO Cc1ccc(O)c(CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000843055726 588078069 /nfs/dbraw/zinc/07/80/69/588078069.db2.gz OQUKXUNLHVDXPP-AWEZNQCLSA-N 1 0 246.354 2.027 20 10 BECDRO Nc1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000843125749 588084073 /nfs/dbraw/zinc/08/40/73/588084073.db2.gz HBXSRNTUQAPPCN-UHIISALHSA-N 1 0 231.343 2.069 20 10 BECDRO C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000843130174 588085382 /nfs/dbraw/zinc/08/53/82/588085382.db2.gz ZIAVTEJIBDNILE-IUCAKERBSA-N 1 0 242.750 2.261 20 10 BECDRO C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(Cl)c1[O-] ZINC000843130173 588085608 /nfs/dbraw/zinc/08/56/08/588085608.db2.gz ZIAVTEJIBDNILE-DTWKUNHWSA-N 1 0 242.750 2.261 20 10 BECDRO COc1ccc2c(c1)CCCN2C[C@H]1CC[NH2+]C1 ZINC000843357747 588103742 /nfs/dbraw/zinc/10/37/42/588103742.db2.gz QFTCUFVALDYGFG-LBPRGKRZSA-N 1 0 246.354 2.057 20 10 BECDRO COc1ccc(N(C)CC[N@H+](C)C(C)C)cc1 ZINC000844400272 588189877 /nfs/dbraw/zinc/18/98/77/588189877.db2.gz YXGSBAJQPWDNOM-UHFFFAOYSA-N 1 0 236.359 2.472 20 10 BECDRO CCn1nccc1C[NH2+][C@H](C)c1ccccc1O ZINC000845988951 588252701 /nfs/dbraw/zinc/25/27/01/588252701.db2.gz CMYJOBXSTVMHPV-LLVKDONJSA-N 1 0 245.326 2.459 20 10 BECDRO CCc1cccc(C[N@@H+]2CCC[C@@]2(C)CO)c1O ZINC000848906046 588418915 /nfs/dbraw/zinc/41/89/15/588418915.db2.gz QBTSSUSLQCPFMS-HNNXBMFYSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1O ZINC000848906665 588419623 /nfs/dbraw/zinc/41/96/23/588419623.db2.gz XPZRJKIQQGQSCZ-SMDDNHRTSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[NH2+][C@H](C)[C@H](C)OC)c1O ZINC000848912292 588419763 /nfs/dbraw/zinc/41/97/63/588419763.db2.gz DHBDDJUVNGMVKH-MNOVXSKESA-N 1 0 237.343 2.468 20 10 BECDRO CCc1cccc(C[N@@H+](CC)[C@H](C)CO)c1O ZINC000848913391 588419972 /nfs/dbraw/zinc/41/99/72/588419972.db2.gz VPPPDYWHEKLMEG-LLVKDONJSA-N 1 0 237.343 2.157 20 10 BECDRO COc1cccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1O ZINC000850392059 588543985 /nfs/dbraw/zinc/54/39/85/588543985.db2.gz FXZUCENVMNBXCM-PJXYFTJBSA-N 1 0 233.311 2.289 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+]C/C=C\CO)cc1 ZINC000850506938 588553626 /nfs/dbraw/zinc/55/36/26/588553626.db2.gz CRQGKVCAQIKKSI-SZZPACECSA-N 1 0 248.370 2.342 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c(O)c1C ZINC000850579029 588561839 /nfs/dbraw/zinc/56/18/39/588561839.db2.gz QVXPPRGLMYCMOZ-SRVKXCTJSA-N 1 0 235.327 2.183 20 10 BECDRO CCN(C(=O)C=C1CC[NH2+]CC1)c1ccccc1 ZINC000852800168 588704177 /nfs/dbraw/zinc/70/41/77/588704177.db2.gz LYZIQNZYOSLYRH-UHFFFAOYSA-N 1 0 244.338 2.349 20 10 BECDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862439780 589212918 /nfs/dbraw/zinc/21/29/18/589212918.db2.gz BJFGAYBGPPQPRI-DTORHVGOSA-N 1 0 223.703 2.497 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)CC2(C)COC2)cc1C ZINC000862476606 589216363 /nfs/dbraw/zinc/21/63/63/589216363.db2.gz DWWZZNJYPDKCEW-UHFFFAOYSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1cc(C)c(O)c(C[N@@H+](C)CC2(C)COC2)c1 ZINC000863298404 589277184 /nfs/dbraw/zinc/27/71/84/589277184.db2.gz CYPPSBRZQLKNPC-UHFFFAOYSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H]2C)c(O)c1C ZINC000863546797 589297713 /nfs/dbraw/zinc/29/77/13/589297713.db2.gz MKPNQTNEYTUAAZ-SGMGOOAPSA-N 1 0 248.370 2.410 20 10 BECDRO Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@H]2C)c(O)c1C ZINC000863546792 589298093 /nfs/dbraw/zinc/29/80/93/589298093.db2.gz MKPNQTNEYTUAAZ-MBNYWOFBSA-N 1 0 248.370 2.410 20 10 BECDRO COc1cccc(C[NH2+]CC(C)(C)F)c1O ZINC000865653661 589454473 /nfs/dbraw/zinc/45/44/73/589454473.db2.gz IQQMQQLXAGWART-UHFFFAOYSA-N 1 0 227.279 2.239 20 10 BECDRO Oc1ccccc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865874815 589466709 /nfs/dbraw/zinc/46/67/09/589466709.db2.gz JGEPYALPGSHYKD-HNNXBMFYSA-N 1 0 249.354 2.423 20 10 BECDRO C[C@H]([NH2+]CC(C)(C)CO)c1cc(F)ccc1O ZINC000122035483 589550264 /nfs/dbraw/zinc/55/02/64/589550264.db2.gz VMTHINQOISVWAQ-VIFPVBQESA-N 1 0 241.306 2.200 20 10 BECDRO Oc1ccc(Cl)cc1C[NH2+]CC1(O)CCC1 ZINC000123175594 589670953 /nfs/dbraw/zinc/67/09/53/589670953.db2.gz KELNFZINHRXZMM-UHFFFAOYSA-N 1 0 241.718 2.050 20 10 BECDRO CCN1CC[N@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC000124596531 590061122 /nfs/dbraw/zinc/06/11/22/590061122.db2.gz FYDCKMANKTWSBY-ZDUSSCGKSA-N 1 0 248.370 2.227 20 10 BECDRO COC[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000124599272 590061160 /nfs/dbraw/zinc/06/11/60/590061160.db2.gz YMCCWEDACKYHOA-LBPRGKRZSA-N 1 0 235.327 2.169 20 10 BECDRO CCC[NH+]1CCN(Cc2ccc(C)cc2O)CC1 ZINC000876523009 590207848 /nfs/dbraw/zinc/20/78/48/590207848.db2.gz IHQDCQIFKWKNEV-UHFFFAOYSA-N 1 0 248.370 2.228 20 10 BECDRO CN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000876545465 590213735 /nfs/dbraw/zinc/21/37/35/590213735.db2.gz NUAZSGWAAMYCKR-LXKVQUBZSA-N 1 0 244.338 2.205 20 10 BECDRO CC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876561321 590215776 /nfs/dbraw/zinc/21/57/76/590215776.db2.gz QYGZBQYSCCMNHY-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)Cc1cnccn1 ZINC000876644457 590225655 /nfs/dbraw/zinc/22/56/55/590225655.db2.gz XOUJTNZAVGGEHT-UHFFFAOYSA-N 1 0 243.310 2.123 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000876693196 590231164 /nfs/dbraw/zinc/23/11/64/590231164.db2.gz AZEKTYJRQCXVFZ-ZDUSSCGKSA-N 1 0 249.354 2.295 20 10 BECDRO CCN1CC[N@H+](Cc2c(C)cccc2O)C[C@H]1C ZINC000876715763 590232610 /nfs/dbraw/zinc/23/26/10/590232610.db2.gz SKJVQPZWNCKKLH-CYBMUJFWSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(C[N@H+](C)CCn2cccn2)c(O)c1 ZINC000876730103 590234320 /nfs/dbraw/zinc/23/43/20/590234320.db2.gz CSZNZGLRCMDPPW-UHFFFAOYSA-N 1 0 245.326 2.029 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCCOC[C@H]1C ZINC000876751971 590238324 /nfs/dbraw/zinc/23/83/24/590238324.db2.gz CEECMMOEVBNPPH-GFCCVEGCSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(O)c1 ZINC000876765932 590239455 /nfs/dbraw/zinc/23/94/55/590239455.db2.gz WYAKUUXPWNRFHV-CQSZACIVSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(O)c1 ZINC000876765931 590239943 /nfs/dbraw/zinc/23/99/43/590239943.db2.gz WYAKUUXPWNRFHV-AWEZNQCLSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCOC2)c(O)c1 ZINC000876789005 590240803 /nfs/dbraw/zinc/24/08/03/590240803.db2.gz QOWALNGEUBSATC-LBPRGKRZSA-N 1 0 235.327 2.169 20 10 BECDRO CCN1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876889766 590254561 /nfs/dbraw/zinc/25/45/61/590254561.db2.gz QCCMHMWYJKRHID-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1ccc(O)c(C[NH+]2CCSCC2)c1 ZINC000126224259 590254750 /nfs/dbraw/zinc/25/47/50/590254750.db2.gz JHRSYKQJVADYKF-UHFFFAOYSA-N 1 0 223.341 2.249 20 10 BECDRO CCOCCC[NH2+]Cc1c(C)cccc1O ZINC000876906390 590255833 /nfs/dbraw/zinc/25/58/33/590255833.db2.gz YGDBGDPIVVRKFQ-UHFFFAOYSA-N 1 0 223.316 2.217 20 10 BECDRO Cc1ccc(C[NH2+]CCCn2cccn2)c(O)c1 ZINC000876920674 590257323 /nfs/dbraw/zinc/25/73/23/590257323.db2.gz ZSFFKRAFOPQOMH-UHFFFAOYSA-N 1 0 245.326 2.077 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H]2C[C@H]2C)c(O)c1 ZINC000876931186 590258075 /nfs/dbraw/zinc/25/80/75/590258075.db2.gz KTMUGMVBDKACRR-ZYHUDNBSSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H]2CCCOC2)c(O)c1 ZINC000876957310 590260825 /nfs/dbraw/zinc/26/08/25/590260825.db2.gz XGRTULZYYQNSSG-GFCCVEGCSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc(C[NH2+]Cc2nccs2)c(O)c1 ZINC000876954571 590260851 /nfs/dbraw/zinc/26/08/51/590260851.db2.gz LWEFASPSACZOLT-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO Cc1ccc(C[NH2+]CCN(C)C(C)C)c(O)c1 ZINC000876996502 590266840 /nfs/dbraw/zinc/26/68/40/590266840.db2.gz WXGZIJKZJCLDPD-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000877019913 590269746 /nfs/dbraw/zinc/26/97/46/590269746.db2.gz IBKYPXHXBOFRGM-LBPRGKRZSA-N 1 0 246.354 2.027 20 10 BECDRO CCn1cc(C[NH2+]Cc2c(C)cccc2O)cn1 ZINC000877052505 590275409 /nfs/dbraw/zinc/27/54/09/590275409.db2.gz YLBDKQTVZJJLLX-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c(O)c1 ZINC000877056787 590275645 /nfs/dbraw/zinc/27/56/45/590275645.db2.gz WWEMMHYYZQUWCB-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000877070922 590277692 /nfs/dbraw/zinc/27/76/92/590277692.db2.gz YUMXOBSNQCCHHA-TZMCWYRMSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C1CCC(C)(O)CC1 ZINC000877074911 590278374 /nfs/dbraw/zinc/27/83/74/590278374.db2.gz GAVWTQHZOCXJQA-UHFFFAOYSA-N 1 0 249.354 2.484 20 10 BECDRO Cc1ccc(C[NH2+]CC2(CCO)CCC2)c(O)c1 ZINC000877092327 590281247 /nfs/dbraw/zinc/28/12/47/590281247.db2.gz ZVPJGLNEAHJWQE-UHFFFAOYSA-N 1 0 249.354 2.343 20 10 BECDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(C)cc1O ZINC000877110949 590287514 /nfs/dbraw/zinc/28/75/14/590287514.db2.gz GRRLXGCFGREFDM-LBPRGKRZSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1ccc(C[NH2+][C@@]2(C)CCCOC2)c(O)c1 ZINC000877163891 590294520 /nfs/dbraw/zinc/29/45/20/590294520.db2.gz WCVWVKLNFPVMFV-AWEZNQCLSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c(O)c1 ZINC000877306954 590310785 /nfs/dbraw/zinc/31/07/85/590310785.db2.gz BNRKZRVBDXZGAB-FZMZJTMJSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)c(O)c1 ZINC000877314054 590312948 /nfs/dbraw/zinc/31/29/48/590312948.db2.gz OYBVEQQMLNZHGL-GFCCVEGCSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)c(O)c1 ZINC000877409687 590323691 /nfs/dbraw/zinc/32/36/91/590323691.db2.gz XZEXVQYYXKPBCQ-OLZOCXBDSA-N 1 0 248.370 2.225 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)c(O)c1 ZINC000877407057 590324350 /nfs/dbraw/zinc/32/43/50/590324350.db2.gz MEYWLNFEZYYSJQ-CHWSQXEVSA-N 1 0 248.370 2.225 20 10 BECDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877463207 590332416 /nfs/dbraw/zinc/33/24/16/590332416.db2.gz AETVFCWZJRWNBW-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO Cc1ccc(C[NH2+]CCOCC(F)F)c(O)c1 ZINC000877467555 590333890 /nfs/dbraw/zinc/33/38/90/590333890.db2.gz JRXKQYHKLMMWJW-UHFFFAOYSA-N 1 0 245.269 2.072 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000877464575 590334237 /nfs/dbraw/zinc/33/42/37/590334237.db2.gz QKXSWEWVYWMXNV-JOCQHMNTSA-N 1 0 249.354 2.436 20 10 BECDRO Cc1ccc(C[NH2+]C2(CCO)CCCC2)c(O)c1 ZINC000877514557 590345112 /nfs/dbraw/zinc/34/51/12/590345112.db2.gz NCKIUAARXMCKDD-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H](CO)C(C)C)c(O)c1 ZINC000877523523 590347177 /nfs/dbraw/zinc/34/71/77/590347177.db2.gz XBHRCZXUQRWSQI-ZDUSSCGKSA-N 1 0 237.343 2.055 20 10 BECDRO CC[C@@H](C[NH2+]Cc1c(C)cccc1O)OC ZINC000877541487 590350492 /nfs/dbraw/zinc/35/04/92/590350492.db2.gz OUUFTPGFIHLHSY-NSHDSACASA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](CO)C2CCCC2)c(O)c1 ZINC000877542999 590351541 /nfs/dbraw/zinc/35/15/41/590351541.db2.gz UYMOFAVSLGOWMS-AWEZNQCLSA-N 1 0 249.354 2.341 20 10 BECDRO CC[C@H](C[NH2+]Cc1ccc(C)cc1O)OC ZINC000877542094 590351618 /nfs/dbraw/zinc/35/16/18/590351618.db2.gz VDADFELQBROQOM-GFCCVEGCSA-N 1 0 223.316 2.215 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)c(O)c1 ZINC000877542238 590352289 /nfs/dbraw/zinc/35/22/89/590352289.db2.gz QLZXDBXBRBIPDP-ZDUSSCGKSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1nnsc1C[NH2+]Cc1ccc(C)cc1O ZINC000877546987 590353389 /nfs/dbraw/zinc/35/33/89/590353389.db2.gz ZYUISDWFVROQLI-UHFFFAOYSA-N 1 0 249.339 2.150 20 10 BECDRO CO[C@H](C[NH2+]Cc1ccc(C)cc1O)C1CC1 ZINC000877552535 590355238 /nfs/dbraw/zinc/35/52/38/590355238.db2.gz PTDNBFJFOQPEBY-CQSZACIVSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000877553087 590355262 /nfs/dbraw/zinc/35/52/62/590355262.db2.gz JAIWJPBITDQMSJ-WFASDCNBSA-N 1 0 249.354 2.341 20 10 BECDRO CO[C@H](C[NH2+]Cc1c(C)cccc1O)C1CC1 ZINC000877551841 590355416 /nfs/dbraw/zinc/35/54/16/590355416.db2.gz FCYBFGAOGAJNAI-CQSZACIVSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H](C)CCCO)c(O)c1 ZINC000877560660 590360082 /nfs/dbraw/zinc/36/00/82/590360082.db2.gz XQTXJZYSSUWJAR-GFCCVEGCSA-N 1 0 237.343 2.199 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)C[C@H]1CCCN1C ZINC000877596025 590370094 /nfs/dbraw/zinc/37/00/94/590370094.db2.gz GZWZWTFXMHEJFU-CYBMUJFWSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c(O)c1 ZINC000877594865 590370518 /nfs/dbraw/zinc/37/05/18/590370518.db2.gz LGXCDSDYFDKNNN-QWHCGFSZSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c(O)c1 ZINC000877596552 590370604 /nfs/dbraw/zinc/37/06/04/590370604.db2.gz UGJZDGFIVRTVET-DGCLKSJQSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CC23CC3)c(O)c1 ZINC000877597460 590370932 /nfs/dbraw/zinc/37/09/32/590370932.db2.gz MSMXGXFDCAVPEO-LBPRGKRZSA-N 1 0 203.285 2.343 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c(O)c1 ZINC000877640704 590381233 /nfs/dbraw/zinc/38/12/33/590381233.db2.gz QVOFAJNOBQLUCT-IUODEOHRSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(O)c1 ZINC000877638024 590381242 /nfs/dbraw/zinc/38/12/42/590381242.db2.gz RKVOYVSJWOQJDO-UONOGXRCSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000877640350 590381520 /nfs/dbraw/zinc/38/15/20/590381520.db2.gz LWYXVAKGJVAYEV-DOMZBBRYSA-N 1 0 249.354 2.151 20 10 BECDRO COCC1(C2CC2)C[NH+](Cc2ccccc2O)C1 ZINC000877685613 590391957 /nfs/dbraw/zinc/39/19/57/590391957.db2.gz CRLBTCUKOFEUTP-UHFFFAOYSA-N 1 0 247.338 2.251 20 10 BECDRO Cc1nocc1CN1Cc2cccc(O)c2C1 ZINC000877702900 590396209 /nfs/dbraw/zinc/39/62/09/590396209.db2.gz JIORKONSISWTKW-UHFFFAOYSA-N 1 0 230.267 2.204 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877752271 590416299 /nfs/dbraw/zinc/41/62/99/590416299.db2.gz ODCZPUYGQZVJMS-LBPRGKRZSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1O ZINC000877755535 590416917 /nfs/dbraw/zinc/41/69/17/590416917.db2.gz DKSBWWKKRHBTNM-HBNTYKKESA-N 1 0 221.300 2.220 20 10 BECDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1O ZINC000877758021 590417767 /nfs/dbraw/zinc/41/77/67/590417767.db2.gz DKSBWWKKRHBTNM-DCAQKATOSA-N 1 0 221.300 2.220 20 10 BECDRO Cc1ncc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000877756560 590418091 /nfs/dbraw/zinc/41/80/91/590418091.db2.gz RYHQWIUOQJSLQE-SNVBAGLBSA-N 1 0 243.310 2.341 20 10 BECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(C)cc1O ZINC000877779332 590423191 /nfs/dbraw/zinc/42/31/91/590423191.db2.gz WADHNNMYHJZJNZ-YPMHNXCESA-N 1 0 237.343 2.340 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c1O ZINC000877836402 590431928 /nfs/dbraw/zinc/43/19/28/590431928.db2.gz WIVOUSCZXMTXBH-ZDUSSCGKSA-N 1 0 249.354 2.293 20 10 BECDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)O1 ZINC000127711458 590756592 /nfs/dbraw/zinc/75/65/92/590756592.db2.gz QEUFPJFNRVWLFZ-WFASDCNBSA-N 1 0 248.370 2.410 20 10 BECDRO Cc1cccc(C[NH2+]C2(CO)CCCC2)c1O ZINC000127878898 590825686 /nfs/dbraw/zinc/82/56/86/590825686.db2.gz ZNYPJCDMOVFCIZ-UHFFFAOYSA-N 1 0 235.327 2.095 20 10 BECDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)on1 ZINC000879649636 590842468 /nfs/dbraw/zinc/84/24/68/590842468.db2.gz ACUYNDSJCHXIDM-VIFPVBQESA-N 1 0 248.282 2.240 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccn(C)n2)c(O)c1 ZINC000213127682 591449115 /nfs/dbraw/zinc/44/91/15/591449115.db2.gz XRMHQHZJPQDBKR-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO COC(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000133987087 591873626 /nfs/dbraw/zinc/87/36/26/591873626.db2.gz VUESWZAJVXJFQT-SNVBAGLBSA-N 1 0 223.316 2.468 20 10 BECDRO COc1cccc(C[NH2+]Cc2ccoc2)c1O ZINC000134227146 591903686 /nfs/dbraw/zinc/90/36/86/591903686.db2.gz GNHORPAVNOFJSI-UHFFFAOYSA-N 1 0 233.267 2.284 20 10 BECDRO C[C@@H]([NH2+][C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000134937871 591962307 /nfs/dbraw/zinc/96/23/07/591962307.db2.gz UANMTUBUNYAWPD-SCZZXKLOSA-N 1 0 241.718 2.485 20 10 BECDRO COC(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000135229344 591998158 /nfs/dbraw/zinc/99/81/58/591998158.db2.gz XQKUBIOQRFWKGD-UHFFFAOYSA-N 1 0 235.327 2.136 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@]2(C)CCCOC2)c1 ZINC000221343429 592417168 /nfs/dbraw/zinc/41/71/68/592417168.db2.gz JMMBMZYGLZQRMJ-AWEZNQCLSA-N 1 0 235.327 2.359 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000300045221 592501607 /nfs/dbraw/zinc/50/16/07/592501607.db2.gz ICYNKNKZVVSSAX-LLVKDONJSA-N 1 0 241.718 2.266 20 10 BECDRO COC[C@@H]([NH2+]Cc1ccccc1O)C(C)C ZINC000083398068 631425303 /nfs/dbraw/zinc/42/53/03/631425303.db2.gz DSTUFSQPCJNIFO-GFCCVEGCSA-N 1 0 223.316 2.153 20 10 BECDRO COC[C@H]([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000086698206 631471913 /nfs/dbraw/zinc/47/19/13/631471913.db2.gz ZSQOHVAPICORHD-ZDUSSCGKSA-N 1 0 237.343 2.461 20 10 BECDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000094797715 631580364 /nfs/dbraw/zinc/58/03/64/631580364.db2.gz CFWQNZJLFRDWDZ-HNNXBMFYSA-N 1 0 248.370 2.411 20 10 BECDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000934114635 631692700 /nfs/dbraw/zinc/69/27/00/631692700.db2.gz UZCHRRDPHWLWFD-CABCVRRESA-N 1 0 248.370 2.362 20 10 BECDRO C[C@H]1CC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000309049788 632627354 /nfs/dbraw/zinc/62/73/54/632627354.db2.gz OXQIENBEAVZMPY-GZMMTYOYSA-N 1 0 209.264 2.419 20 10 BECDRO CC[C@H]([NH2+]CCO)c1cc(Cl)ccc1O ZINC000309191328 632743845 /nfs/dbraw/zinc/74/38/45/632743845.db2.gz PSGHWWDTZSTGSJ-JTQLQIEISA-N 1 0 229.707 2.079 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1 ZINC000310737503 632925952 /nfs/dbraw/zinc/92/59/52/632925952.db2.gz PXXDACKBEIPKPY-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1O ZINC000310736285 632926196 /nfs/dbraw/zinc/92/61/96/632926196.db2.gz PINJLIGUOYNYOD-OCCSQVGLSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccccc1O ZINC000310898153 633016410 /nfs/dbraw/zinc/01/64/10/633016410.db2.gz DUDYRPFRBYNVHA-NSHDSACASA-N 1 0 245.326 2.248 20 10 BECDRO CC[C@@H](O)C[NH2+][C@@H](CC)c1ccccc1O ZINC000162330621 633028353 /nfs/dbraw/zinc/02/83/53/633028353.db2.gz DNKLXEYSBRWSJU-PWSUYJOCSA-N 1 0 223.316 2.204 20 10 BECDRO Cc1nn(C)cc1C[NH2+]Cc1cc(C)ccc1O ZINC000168693672 633146779 /nfs/dbraw/zinc/14/67/79/633146779.db2.gz QBMJBTQZABJYIB-UHFFFAOYSA-N 1 0 245.326 2.032 20 10 BECDRO COc1ccc(N(C)C[C@H]2CCC[NH2+]2)cc1F ZINC000258932420 635224699 /nfs/dbraw/zinc/22/46/99/635224699.db2.gz PMUJPQKWDUNKKK-SNVBAGLBSA-N 1 0 238.306 2.023 20 10 BECDRO C[C@@H]([NH2+]Cc1nccn1C)c1cc(F)ccc1O ZINC000094618190 635378300 /nfs/dbraw/zinc/37/83/00/635378300.db2.gz YOWCLNGPXMFITM-SECBINFHSA-N 1 0 249.289 2.116 20 10 BECDRO Oc1ccccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000840955247 635386310 /nfs/dbraw/zinc/38/63/10/635386310.db2.gz SPDYJKYLLNUAHD-HNNXBMFYSA-N 1 0 247.338 2.393 20 10 BECDRO CC(C)N(C)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000054110677 635389139 /nfs/dbraw/zinc/38/91/39/635389139.db2.gz PUXBIEFKRREIPZ-UHFFFAOYSA-N 1 0 249.402 2.182 20 10 BECDRO CC[C@@](C)(C[NH2+]Cc1cc(F)ccc1O)OC ZINC000322639364 636875540 /nfs/dbraw/zinc/87/55/40/636875540.db2.gz TWTBVZNTPFIESL-ZDUSSCGKSA-N 1 0 241.306 2.436 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000927147249 637056257 /nfs/dbraw/zinc/05/62/57/637056257.db2.gz JXAQTDFSJMNTKO-SRVKXCTJSA-N 1 0 235.327 2.122 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]CC[C@H]1CCOC1)CC2 ZINC000311106699 639534578 /nfs/dbraw/zinc/53/45/78/639534578.db2.gz VLMGSBRLZJDITP-WCQYABFASA-N 1 0 247.338 2.396 20 10 BECDRO CN(C(=O)C1=CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000912495936 640087391 /nfs/dbraw/zinc/08/73/91/640087391.db2.gz PTCULLNUCXEIPV-UHFFFAOYSA-N 1 0 248.301 2.098 20 10 BECDRO CCOC(=O)/C=C\C[NH2+][C@@H](C)c1ccccc1O ZINC000931556980 640272453 /nfs/dbraw/zinc/27/24/53/640272453.db2.gz GIVMPACJTBAQLI-WDDYJBPVSA-N 1 0 249.310 2.162 20 10 BECDRO CC[C@H]([NH2+]CC1(O)CCC1)c1ccccc1O ZINC000164048695 640439698 /nfs/dbraw/zinc/43/96/98/640439698.db2.gz DCPAZKGNDDEXHW-LBPRGKRZSA-N 1 0 235.327 2.348 20 10 BECDRO COCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000164208624 640454322 /nfs/dbraw/zinc/45/43/22/640454322.db2.gz GYSQFKIDRCLGQN-UHFFFAOYSA-N 1 0 223.316 2.087 20 10 BECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1O ZINC000164231269 640457290 /nfs/dbraw/zinc/45/72/90/640457290.db2.gz AHKVOWSNVTXDOK-ZYHUDNBSSA-N 1 0 241.718 2.049 20 10 BECDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@@H]2CCOC2)c1 ZINC000164306763 640472090 /nfs/dbraw/zinc/47/20/90/640472090.db2.gz WVBRMMIFTRMTAN-CYBMUJFWSA-N 1 0 235.327 2.230 20 10 BECDRO CC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164371576 640475293 /nfs/dbraw/zinc/47/52/93/640475293.db2.gz NAGRWUBOMXSTNV-UHFFFAOYSA-N 1 0 209.289 2.161 20 10 BECDRO Cc1cc(C)c(O)c(C[N@H+](C)C[C@H]2CCOC2)c1 ZINC000164459733 640484104 /nfs/dbraw/zinc/48/41/04/640484104.db2.gz BKCHHGZEOFDOMO-CYBMUJFWSA-N 1 0 249.354 2.477 20 10 BECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCSC1 ZINC000226613125 640780114 /nfs/dbraw/zinc/78/01/14/640780114.db2.gz FGYLLPRLKKUPLE-JTQLQIEISA-N 1 0 227.304 2.126 20 10 BECDRO Cc1cccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1O ZINC000230392188 641049645 /nfs/dbraw/zinc/04/96/45/641049645.db2.gz OTLCRYHXJPKOEH-RISCZKNCSA-N 1 0 235.327 2.358 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000230669372 641078252 /nfs/dbraw/zinc/07/82/52/641078252.db2.gz LKAILHMVPJLVDQ-DGCLKSJQSA-N 1 0 235.327 2.033 20 10 BECDRO C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000062744921 641087823 /nfs/dbraw/zinc/08/78/23/641087823.db2.gz BMWGYPBXGQQQEW-SNVBAGLBSA-N 1 0 240.322 2.134 20 10 BECDRO C[C@H]([NH2+]CCc1ccn(C)n1)c1ccccc1O ZINC000230899638 641115382 /nfs/dbraw/zinc/11/53/82/641115382.db2.gz JNZMJUGXXZIHSG-NSHDSACASA-N 1 0 245.326 2.019 20 10 BECDRO OC[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000062999130 641118162 /nfs/dbraw/zinc/11/81/62/641118162.db2.gz ZGNKJVGPLJYOJO-CQSZACIVSA-N 1 0 243.306 2.215 20 10 BECDRO COc1ccc(O)c(C[NH2+]CCC(F)(F)F)c1 ZINC000063099197 641132014 /nfs/dbraw/zinc/13/20/14/641132014.db2.gz FLAIDROUZUNMOE-UHFFFAOYSA-N 1 0 249.232 2.443 20 10 BECDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000307781902 641202185 /nfs/dbraw/zinc/20/21/85/641202185.db2.gz QAXJMGXSXWZKDK-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO CCOc1cccc(C[NH2+]Cc2ccno2)c1O ZINC000231883370 641211933 /nfs/dbraw/zinc/21/19/33/641211933.db2.gz UHEYWDBMLLCAAJ-UHFFFAOYSA-N 1 0 248.282 2.069 20 10 BECDRO Cc1n[nH]cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035273945 641348062 /nfs/dbraw/zinc/34/80/62/641348062.db2.gz GFZFLWAOXUZIML-UHFFFAOYSA-N 1 0 244.342 2.074 20 10 BECDRO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc(N(C)C)cc1 ZINC000088750662 641387107 /nfs/dbraw/zinc/38/71/07/641387107.db2.gz VSLRIPQVJLHLMZ-LLVKDONJSA-N 1 0 244.342 2.327 20 10 BECDRO CC1(C)COC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000313022143 641527222 /nfs/dbraw/zinc/52/72/22/641527222.db2.gz BBFKOVFXUMRUIF-DGCLKSJQSA-N 1 0 247.338 2.394 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]Cc2cc[nH]n2)c(O)c1 ZINC000041014725 641539754 /nfs/dbraw/zinc/53/97/54/641539754.db2.gz RATXWMUDNJHLAX-JTQLQIEISA-N 1 0 231.299 2.275 20 10 BECDRO COc1ccc(C[NH2+]C2CSC2)cc1C ZINC000075152023 641747004 /nfs/dbraw/zinc/74/70/04/641747004.db2.gz OSEQZEOAVLBZNI-UHFFFAOYSA-N 1 0 223.341 2.209 20 10 BECDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000324365974 641781891 /nfs/dbraw/zinc/78/18/91/641781891.db2.gz WSCYSLZCWRVKPE-LLVKDONJSA-N 1 0 249.310 2.399 20 10 BECDRO Cc1n[nH]cc1C[NH2+]Cc1cc(C)ccc1O ZINC000071408184 642457103 /nfs/dbraw/zinc/45/71/03/642457103.db2.gz HSTCZBVYLJANDI-UHFFFAOYSA-N 1 0 231.299 2.022 20 10 BECDRO CSCC[NH2+]Cc1cc(Cl)ccc1O ZINC000068890380 642807426 /nfs/dbraw/zinc/80/74/26/642807426.db2.gz UHBNSJUAHYRQGQ-UHFFFAOYSA-N 1 0 231.748 2.498 20 10 BECDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000180741780 642812162 /nfs/dbraw/zinc/81/21/62/642812162.db2.gz JIRMIHPLPZFYID-ZDUSSCGKSA-N 1 0 241.306 2.028 20 10 BECDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000181063700 642834622 /nfs/dbraw/zinc/83/46/22/642834622.db2.gz HZVYBBZCSPBYPK-CQDKDKBSSA-N 1 0 248.370 2.317 20 10 BECDRO C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(N(C)C)cc1 ZINC000071301721 643128046 /nfs/dbraw/zinc/12/80/46/643128046.db2.gz JVTCQOHUZMRBJI-IAQYHMDHSA-N 1 0 248.370 2.174 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCO)c(O)c1 ZINC000097439708 643131507 /nfs/dbraw/zinc/13/15/07/643131507.db2.gz KCJAKFGUPZSGJY-NWDGAFQWSA-N 1 0 237.343 2.370 20 10 BECDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1O ZINC000183514753 643137465 /nfs/dbraw/zinc/13/74/65/643137465.db2.gz RRSFRYFUHNULQP-FTUHBYGFSA-N 1 0 233.311 2.363 20 10 BECDRO Cc1cc(C[NH2+]Cc2cc(C)ccc2O)on1 ZINC000071408710 643141494 /nfs/dbraw/zinc/14/14/94/643141494.db2.gz HEXWPPPJFXJBFG-UHFFFAOYSA-N 1 0 232.283 2.287 20 10 BECDRO CO[C@@H](C[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000733329073 643327870 /nfs/dbraw/zinc/32/78/70/643327870.db2.gz MCULTZYCRPJUAI-JTQLQIEISA-N 1 0 249.232 2.059 20 10 BECDRO COc1ccc(N(C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000049969893 643572462 /nfs/dbraw/zinc/57/24/62/643572462.db2.gz BGSVQOHTVAAQNQ-LBPRGKRZSA-N 1 0 234.343 2.131 20 10 BECDRO COC[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921597682 643616947 /nfs/dbraw/zinc/61/69/47/643616947.db2.gz FLBPMNXTJLAGEH-LBPRGKRZSA-N 1 0 249.354 2.384 20 10 BECDRO c1cc2c(cc1C[NH2+][C@@H]1CCCOC1)CCCO2 ZINC000921704311 643758029 /nfs/dbraw/zinc/75/80/29/643758029.db2.gz CQFCMQXFMYOODH-CQSZACIVSA-N 1 0 247.338 2.280 20 10 BECDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921751461 643772221 /nfs/dbraw/zinc/77/22/21/643772221.db2.gz XEIIGRBNWGLMBY-AWEZNQCLSA-N 1 0 249.354 2.118 20 10 BECDRO CC(C)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921751462 643772460 /nfs/dbraw/zinc/77/24/60/643772460.db2.gz XEIIGRBNWGLMBY-CQSZACIVSA-N 1 0 249.354 2.118 20 10 BECDRO C[C@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000921933132 643829563 /nfs/dbraw/zinc/82/95/63/643829563.db2.gz LFVAISIFNHASCK-HNNXBMFYSA-N 1 0 247.338 2.280 20 10 BECDRO OCCCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922079695 643860680 /nfs/dbraw/zinc/86/06/80/643860680.db2.gz SLHNVJLGUVQASY-UHFFFAOYSA-N 1 0 249.354 2.264 20 10 BECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922637809 644046172 /nfs/dbraw/zinc/04/61/72/644046172.db2.gz BULFEHFURLLUNC-RISCZKNCSA-N 1 0 247.338 2.136 20 10 BECDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000086683689 644162875 /nfs/dbraw/zinc/16/28/75/644162875.db2.gz TWKXOCUTKREFQK-AWEZNQCLSA-N 1 0 249.354 2.382 20 10 BECDRO Oc1ccccc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000923033123 644239868 /nfs/dbraw/zinc/23/98/68/644239868.db2.gz QMHDDDWKNZVYLK-SWLSCSKDSA-N 1 0 245.322 2.193 20 10 BECDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCO1 ZINC000094798290 644729435 /nfs/dbraw/zinc/72/94/35/644729435.db2.gz QIFDPPOKBLRHCB-OAHLLOKOSA-N 1 0 247.338 2.280 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(F)ccc1O ZINC000252763529 644901050 /nfs/dbraw/zinc/90/10/50/644901050.db2.gz OGJIPWRILGUFGM-LPEHRKFASA-N 1 0 241.306 2.341 20 10 BECDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815058109 644949079 /nfs/dbraw/zinc/94/90/79/644949079.db2.gz NZDRMBUJAMPTMP-CQSZACIVSA-N 1 0 248.370 2.282 20 10 BECDRO Cc1ccc(O)c([C@H](C)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000817984664 644994986 /nfs/dbraw/zinc/99/49/86/644994986.db2.gz XDMQPFYHTKTWQT-QWHCGFSZSA-N 1 0 248.370 2.493 20 10 BECDRO Cc1ccc(O)c([C@@H](C)N[C@H]2CCCC[NH2+]C2)c1 ZINC000817984663 644995349 /nfs/dbraw/zinc/99/53/49/644995349.db2.gz XDMQPFYHTKTWQT-OLZOCXBDSA-N 1 0 248.370 2.493 20 10 BECDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000817980732 644995473 /nfs/dbraw/zinc/99/54/73/644995473.db2.gz WRJGUILDQZVIKB-DGCLKSJQSA-N 1 0 235.375 2.141 20 10 BECDRO Oc1cccc2c1[C@@H](N[C@H]1CCCC[NH2+]C1)CC2 ZINC000817984047 644995661 /nfs/dbraw/zinc/99/56/61/644995661.db2.gz MDDCUMRJULRZKF-STQMWFEESA-N 1 0 246.354 2.111 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C[C@@H](C)O)C2CC2)c1 ZINC000848928577 645445173 /nfs/dbraw/zinc/44/51/73/645445173.db2.gz HVJNZWFMZQXALN-LLVKDONJSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)c(O)c1 ZINC000927148548 645572541 /nfs/dbraw/zinc/57/25/41/645572541.db2.gz SBHXIYBMSYBSIJ-JHJVBQTASA-N 1 0 249.354 2.431 20 10 BECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1COC[C@H]1C ZINC000925077555 646178115 /nfs/dbraw/zinc/17/81/15/646178115.db2.gz BLXRWXRWYKYCHH-DOMZBBRYSA-N 1 0 248.370 2.186 20 10 BECDRO C[C@H]([NH2+]C/C=C\CO)c1cc(Cl)ccc1O ZINC000850507201 711677673 /nfs/dbraw/zinc/67/76/73/711677673.db2.gz DTPBJBXDRVWNNL-XADBCAIWSA-N 1 0 241.718 2.245 20 10 BECDRO COc1ccc(O)c(C[NH2+]CC[C@@H](C)F)c1 ZINC000702619154 712056153 /nfs/dbraw/zinc/05/61/53/712056153.db2.gz DZLBTFHUVOBULD-SECBINFHSA-N 1 0 227.279 2.239 20 10 BECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(F)ccc1O ZINC000716853647 712578579 /nfs/dbraw/zinc/57/85/79/712578579.db2.gz QDXXRDNPBKIGEY-CABZTGNLSA-N 1 0 241.306 2.170 20 10 BECDRO C/C=C/C[NH2+]Cc1cc(OC)ccc1O ZINC000384949099 712707035 /nfs/dbraw/zinc/70/70/35/712707035.db2.gz VELIOPFJTQLJAR-ONEGZZNKSA-N 1 0 207.273 2.067 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C[C@H](C)O1 ZINC000724268590 710738127 /nfs/dbraw/zinc/73/81/27/710738127.db2.gz JMINENGYSVFNSC-PJXYFTJBSA-N 1 0 235.327 2.438 20 10 BECDRO CC(C)N(C)C[C@H](C)[NH2+]Cc1ccccc1O ZINC000383307727 710980783 /nfs/dbraw/zinc/98/07/83/710980783.db2.gz QEGCMLUDURLVKS-LBPRGKRZSA-N 1 0 236.359 2.211 20 10 BECDRO CC[C@@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000393493984 711160068 /nfs/dbraw/zinc/16/00/68/711160068.db2.gz VABDHUHJDGVNOP-CYBMUJFWSA-N 1 0 239.290 2.190 20 10 BECDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](C)O ZINC000395294844 711207396 /nfs/dbraw/zinc/20/73/96/711207396.db2.gz DAEBPFSINKZYIQ-LDYMZIIASA-N 1 0 243.734 2.295 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H](C)O ZINC000395699426 711214773 /nfs/dbraw/zinc/21/47/73/711214773.db2.gz KQRPVAVRWVTZPU-AAEUAGOBSA-N 1 0 237.343 2.253 20 10 BECDRO COc1ccc(C[NH2+]CCC2(CO)CC2)cc1C ZINC000395935024 711216843 /nfs/dbraw/zinc/21/68/43/711216843.db2.gz KLUMBQNBMLRYQD-UHFFFAOYSA-N 1 0 249.354 2.256 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1 ZINC000398049753 711401049 /nfs/dbraw/zinc/40/10/49/711401049.db2.gz VPHTZOIDUGGBTG-DGCLKSJQSA-N 1 0 235.327 2.358 20 10 BECDRO CN(C)c1ccc(C[NH2+][C@H]2COC(C)(C)C2)cc1 ZINC000396874090 711371902 /nfs/dbraw/zinc/37/19/02/711371902.db2.gz HQKKPZAHAUATBD-CYBMUJFWSA-N 1 0 248.370 2.410 20 10 BECDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccccc1O ZINC000397132566 711378246 /nfs/dbraw/zinc/37/82/46/711378246.db2.gz WXLKLJRNMKUQHK-BXUZGUMPSA-N 1 0 235.327 2.469 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](C)O ZINC000386727925 711649947 /nfs/dbraw/zinc/64/99/47/711649947.db2.gz UOMOFAXMQPIEJA-NHCYSSNCSA-N 1 0 223.316 2.202 20 10 BECDRO COc1ccc(C[NH2+][C@H](C)C(C)(C)O)cc1C ZINC000393972353 711680709 /nfs/dbraw/zinc/68/07/09/711680709.db2.gz KBPOTJPRVNPURE-LLVKDONJSA-N 1 0 237.343 2.253 20 10 BECDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H](C)O ZINC000386961673 711763879 /nfs/dbraw/zinc/76/38/79/711763879.db2.gz ZGEIWANATVCEFG-USWWRNFRSA-N 1 0 235.327 2.129 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]CCCCF ZINC000389643713 711766375 /nfs/dbraw/zinc/76/63/75/711766375.db2.gz RQDDDUXUBOLUSQ-UHFFFAOYSA-N 1 0 215.243 2.371 20 10 BECDRO CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1O ZINC000042544572 711808737 /nfs/dbraw/zinc/80/87/37/711808737.db2.gz LAPIFNHSMSHJQV-YPMHNXCESA-N 1 0 234.343 2.137 20 10 BECDRO COc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1C ZINC000161118640 711810625 /nfs/dbraw/zinc/81/06/25/711810625.db2.gz SXYLSOCSTXGCOQ-LLVKDONJSA-N 1 0 237.343 2.253 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1O ZINC000164736591 711825267 /nfs/dbraw/zinc/82/52/67/711825267.db2.gz NDLPHHMAKNRBAM-AAEUAGOBSA-N 1 0 235.327 2.215 20 10 BECDRO CCc1cccc(C[NH2+]C2(COC)CC2)c1O ZINC000700091162 711986078 /nfs/dbraw/zinc/98/60/78/711986078.db2.gz IHVQFDRUUJBRCQ-UHFFFAOYSA-N 1 0 235.327 2.223 20 10 BECDRO COCC[N@H+](CCF)Cc1cccc(C)c1O ZINC000700401779 711992154 /nfs/dbraw/zinc/99/21/54/711992154.db2.gz AQUJAUJOMRAWDA-UHFFFAOYSA-N 1 0 241.306 2.119 20 10 BECDRO COc1cccc(C[NH2+][C@@H]2C=CCC2)c1O ZINC000700545396 711997271 /nfs/dbraw/zinc/99/72/71/711997271.db2.gz ZHKGPMRTTSPEFI-LLVKDONJSA-N 1 0 219.284 2.209 20 10 BECDRO Cc1noc(CCCN(C)c2ccc(N)cc2)n1 ZINC000702092955 712039130 /nfs/dbraw/zinc/03/91/30/712039130.db2.gz QGZIFPWMLWUPBK-UHFFFAOYSA-N 1 0 246.314 2.029 20 10 BECDRO CC1([NH2+]Cc2cc3c(cc2O)OCO3)CC=CC1 ZINC000702190140 712041027 /nfs/dbraw/zinc/04/10/27/712041027.db2.gz LFFFOBYDDCYWOG-UHFFFAOYSA-N 1 0 247.294 2.319 20 10 BECDRO Cc1cccc(C[NH2+]C2CCC(C)(O)CC2)c1O ZINC000703615614 712081082 /nfs/dbraw/zinc/08/10/82/712081082.db2.gz QKTCPZSFKWAGFL-UHFFFAOYSA-N 1 0 249.354 2.484 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOCCF)c1 ZINC000705795961 712137277 /nfs/dbraw/zinc/13/72/77/712137277.db2.gz YBLHOPKUTPMIGU-LLVKDONJSA-N 1 0 241.306 2.337 20 10 BECDRO CC[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccccc1O ZINC000707680861 712176134 /nfs/dbraw/zinc/17/61/34/712176134.db2.gz RDNQDNQMYNGAHF-NTZNESFSSA-N 1 0 235.327 2.204 20 10 BECDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000709406626 712221292 /nfs/dbraw/zinc/22/12/92/712221292.db2.gz OANSYDBGEWLTCH-CHWSQXEVSA-N 1 0 249.354 2.204 20 10 BECDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000387868513 712268175 /nfs/dbraw/zinc/26/81/75/712268175.db2.gz VGDMWWZOXIVHON-ZJUUUORDSA-N 1 0 249.310 2.257 20 10 BECDRO COc1ccc(O)c(C[NH2+]C[C@H]2C=CCC2)c1 ZINC000711779826 712329467 /nfs/dbraw/zinc/32/94/67/712329467.db2.gz XGWPLWZDXSPVMZ-NSHDSACASA-N 1 0 233.311 2.457 20 10 BECDRO CC[C@H]([NH2+]CCc1cn[nH]c1)c1ccccc1O ZINC000379571726 712388182 /nfs/dbraw/zinc/38/81/82/712388182.db2.gz RJXQORVCZWNYFX-ZDUSSCGKSA-N 1 0 245.326 2.399 20 10 BECDRO CCN1CC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000712612568 712437856 /nfs/dbraw/zinc/43/78/56/712437856.db2.gz BEVYCNIWNTVDAQ-STQMWFEESA-N 1 0 246.354 2.063 20 10 BECDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000712532650 712442113 /nfs/dbraw/zinc/44/21/13/712442113.db2.gz XWGQUFCUBRVZKL-AWEZNQCLSA-N 1 0 248.370 2.187 20 10 BECDRO COc1cccc(C[NH2+][C@@H]2CC23CC3)c1O ZINC000715322598 712521089 /nfs/dbraw/zinc/52/10/89/712521089.db2.gz OZBIXZXVODYHCL-LLVKDONJSA-N 1 0 219.284 2.043 20 10 BECDRO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccccc1O ZINC000716714025 712570768 /nfs/dbraw/zinc/57/07/68/712570768.db2.gz SJFNXCVGVLRRQR-KCJUWKMLSA-N 1 0 245.269 2.059 20 10 BECDRO CCC[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716868248 712579287 /nfs/dbraw/zinc/57/92/87/712579287.db2.gz AVKUEYRBQDIZIW-CQSZACIVSA-N 1 0 249.354 2.262 20 10 BECDRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccccc1O ZINC000717825469 712682093 /nfs/dbraw/zinc/68/20/93/712682093.db2.gz PJDLZUCABYPQNO-DTWKUNHWSA-N 1 0 245.269 2.059 20 10 BECDRO CC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCOC1 ZINC000380145666 712699684 /nfs/dbraw/zinc/69/96/84/712699684.db2.gz HIWDABSOVGNBSB-GFCCVEGCSA-N 1 0 239.290 2.142 20 10 BECDRO C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1C ZINC000719648741 712820720 /nfs/dbraw/zinc/82/07/20/712820720.db2.gz RRJHJAQFKUCSQQ-KGYLQXTDSA-N 1 0 246.354 2.062 20 10 BECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccon1 ZINC000720357761 712833959 /nfs/dbraw/zinc/83/39/59/712833959.db2.gz SHDRWAFWYZNMQI-UHFFFAOYSA-N 1 0 243.310 2.086 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000720994958 712886416 /nfs/dbraw/zinc/88/64/16/712886416.db2.gz MXMXFKJMWHUHAU-UTUOFQBUSA-N 1 0 235.327 2.122 20 10 BECDRO C[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141155591 960890947 /nfs/dbraw/zinc/89/09/47/960890947.db2.gz AEVBCASDNQCXNV-JTQLQIEISA-N 1 0 221.300 2.472 20 10 BECDRO CC1CC([N@H+](C)Cc2ccc(O)c(O)c2)C1 ZINC001203875829 966804631 /nfs/dbraw/zinc/80/46/31/966804631.db2.gz WRGIYWBLPWIUCZ-UHFFFAOYSA-N 1 0 221.300 2.328 20 10 BECDRO CCCC[C@@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001252118819 968602902 /nfs/dbraw/zinc/60/29/02/968602902.db2.gz LXSDGFPEUQHTNQ-CYBMUJFWSA-N 1 0 237.343 2.341 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@@H](F)C2)c1O ZINC000689849211 1166365781 /nfs/dbraw/zinc/36/57/81/1166365781.db2.gz ODVBGAMLQWLFKH-LLVKDONJSA-N 1 0 209.264 2.244 20 10 BECDRO Oc1ccccc1C[NH2+]CCOC1CCCC1 ZINC000111607879 1166623088 /nfs/dbraw/zinc/62/30/88/1166623088.db2.gz VWXWWVYZBVFMST-UHFFFAOYSA-N 1 0 235.327 2.441 20 10 BECDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc(C)cc1 ZINC000695667429 1166663566 /nfs/dbraw/zinc/66/35/66/1166663566.db2.gz SRPRKLRZTUIQGK-ZDUSSCGKSA-N 1 0 244.338 2.395 20 10 BECDRO CC[C@H](O)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000398520245 1167075844 /nfs/dbraw/zinc/07/58/44/1167075844.db2.gz VLAHYNMYQJTHSO-AWEZNQCLSA-N 1 0 249.354 2.262 20 10 BECDRO C[N@@H+](Cc1ccc(N)cc1)C[C@H]1CCCC[C@H]1O ZINC000385577959 1167395524 /nfs/dbraw/zinc/39/55/24/1167395524.db2.gz FDAFYLHNPBLLBK-UKRRQHHQSA-N 1 0 248.370 2.252 20 10 BECDRO COCC[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000383832783 1169252052 /nfs/dbraw/zinc/25/20/52/1169252052.db2.gz JDOWTWAVYNOUEW-ZYHUDNBSSA-N 1 0 235.327 2.394 20 10 BECDRO COCC[N@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138354523 1169353622 /nfs/dbraw/zinc/35/36/22/1169353622.db2.gz MLBAWYDXXGVWFQ-UHFFFAOYSA-N 1 0 248.370 2.147 20 10 BECDRO CN(C)c1ccc(O[C@@H]2CCCC[NH2+]C2)cc1 ZINC001217972895 971554129 /nfs/dbraw/zinc/55/41/29/971554129.db2.gz WBZHEFHILNZOFT-CQSZACIVSA-N 1 0 234.343 2.274 20 10 BECDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(N)cc1 ZINC001218029151 971576562 /nfs/dbraw/zinc/57/65/62/971576562.db2.gz ZHWYQPUNVFBQTB-MFKMUULPSA-N 1 0 220.316 2.036 20 10 BECDRO Nc1ccc(OC2CCC3(C[NH2+]C3)CC2)cc1 ZINC001218262319 971667002 /nfs/dbraw/zinc/66/70/02/971667002.db2.gz GMTCCHRGIZINPZ-UHFFFAOYSA-N 1 0 232.327 2.180 20 10 BECDRO Cc1ccc(C)c(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1O ZINC001140182536 957722493 /nfs/dbraw/zinc/72/24/93/957722493.db2.gz UQOJDHDFWOBJSN-STQMWFEESA-N 1 0 249.354 2.354 20 10 BECDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC001140181949 957723283 /nfs/dbraw/zinc/72/32/83/957723283.db2.gz XYQJNPRNLRYZOF-TXEJJXNPSA-N 1 0 217.312 2.461 20 10 BECDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccccc1O ZINC000316592269 972288185 /nfs/dbraw/zinc/28/81/85/972288185.db2.gz OJEAHXMSYVNVNJ-HZMBPMFUSA-N 1 0 235.327 2.204 20 10 BECDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccccc1O ZINC000316592277 972288704 /nfs/dbraw/zinc/28/87/04/972288704.db2.gz OJEAHXMSYVNVNJ-IINYFYTJSA-N 1 0 235.327 2.204 20 10 BECDRO C[N@H+](Cc1cccc(=O)[nH]1)Cc1ccccc1O ZINC001207073242 957918438 /nfs/dbraw/zinc/91/84/38/957918438.db2.gz HLBZBXMHAGVPSV-UHFFFAOYSA-N 1 0 244.294 2.125 20 10 BECDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077430003 959219894 /nfs/dbraw/zinc/21/98/94/959219894.db2.gz INLWSIHJEKHMTO-RYUDHWBXSA-N 1 0 249.354 2.118 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724813890 959684392 /nfs/dbraw/zinc/68/43/92/959684392.db2.gz HWKSNURYTFCKSR-JSGCOSHPSA-N 1 0 233.311 2.003 20 10 BECDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](C)C2)c1O ZINC001140744369 959792992 /nfs/dbraw/zinc/79/29/92/959792992.db2.gz VJRKCWCLGPVMTJ-SECBINFHSA-N 1 0 221.300 2.248 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000690788535 959810297 /nfs/dbraw/zinc/81/02/97/959810297.db2.gz FYXDOFHQKWXOGN-JSGCOSHPSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c(O)c1 ZINC001140948096 960122571 /nfs/dbraw/zinc/12/25/71/960122571.db2.gz SPSAMHXSCNGCAZ-GXTWGEPZSA-N 1 0 249.354 2.293 20 10 BECDRO CCOc1cccc(C[N@@H+]2CC[C@H](F)C2)c1O ZINC000689865743 960295176 /nfs/dbraw/zinc/29/51/76/960295176.db2.gz ZGHSITGFWIJHOI-NSHDSACASA-N 1 0 239.290 2.335 20 10 BECDRO Cc1ccc(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000695752709 960426043 /nfs/dbraw/zinc/42/60/43/960426043.db2.gz VIZJTKFACXYPHC-GFCCVEGCSA-N 1 0 230.311 2.005 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCCC3(COC3)C2)c1 ZINC001140619449 960462795 /nfs/dbraw/zinc/46/27/95/960462795.db2.gz DBIQGNBMUAFXIM-UHFFFAOYSA-N 1 0 247.338 2.313 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H](O)C2)c1 ZINC001140619786 960466604 /nfs/dbraw/zinc/46/66/04/960466604.db2.gz ORXWHOWPXIONHM-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC001140624255 960467954 /nfs/dbraw/zinc/46/79/54/960467954.db2.gz NHMOGYSHQQMMES-ZDUSSCGKSA-N 1 0 233.311 2.254 20 10 BECDRO Oc1cccc2c1C[N@H+](Cc1cc[nH]c1)CC2 ZINC001140709327 960530888 /nfs/dbraw/zinc/53/08/88/960530888.db2.gz YQVTXHUUASPKNR-UHFFFAOYSA-N 1 0 228.295 2.279 20 10 BECDRO Cc1c(O)ccc(C[N@H+](C)CC2CC2)c1O ZINC001140742565 960544901 /nfs/dbraw/zinc/54/49/01/960544901.db2.gz SBLZUPKAYBXNQX-UHFFFAOYSA-N 1 0 221.300 2.248 20 10 BECDRO Cc1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c(O)c1 ZINC001140947871 960741004 /nfs/dbraw/zinc/74/10/04/960741004.db2.gz JCHYDWDBAIMKJL-CYBMUJFWSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c(O)c1 ZINC001140947758 960741445 /nfs/dbraw/zinc/74/14/45/960741445.db2.gz DRHANELDOHTUAY-OCCSQVGLSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c(O)c1 ZINC001140950750 960753752 /nfs/dbraw/zinc/75/37/52/960753752.db2.gz GQSXAWBHRAYFQK-BETUJISGSA-N 1 0 245.322 2.112 20 10 BECDRO Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(O)c1 ZINC001140957763 960761740 /nfs/dbraw/zinc/76/17/40/960761740.db2.gz NDAPAOZENPIHOO-OAHLLOKOSA-N 1 0 247.338 2.456 20 10 BECDRO C[C@@H]1CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141442 960886157 /nfs/dbraw/zinc/88/61/57/960886157.db2.gz YRPVSPYZWGHXEB-LLVKDONJSA-N 1 0 232.327 2.109 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001141158688 960896797 /nfs/dbraw/zinc/89/67/97/960896797.db2.gz KDINTHAINANNLO-PTOFAABTSA-N 1 0 237.274 2.030 20 10 BECDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001141160941 960897855 /nfs/dbraw/zinc/89/78/55/960897855.db2.gz KDINTHAINANNLO-PEXQALLHSA-N 1 0 237.274 2.030 20 10 BECDRO COCC[N@H+](CCF)Cc1cc(C)ccc1O ZINC000697045868 963677967 /nfs/dbraw/zinc/67/79/67/963677967.db2.gz GPDZFIXFPNBQPW-UHFFFAOYSA-N 1 0 241.306 2.119 20 10 BECDRO C[C@@H]([NH2+]CCN1CCC1)c1ccc(N(C)C)cc1 ZINC000697417416 963913181 /nfs/dbraw/zinc/91/31/81/963913181.db2.gz LEXGBVCZKNIJSM-CYBMUJFWSA-N 1 0 247.386 2.109 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2)c(O)c1 ZINC000042545122 964827032 /nfs/dbraw/zinc/82/70/32/964827032.db2.gz AQDJKZBSGSBENA-NWDGAFQWSA-N 1 0 234.343 2.055 20 10 BECDRO c1cc(C[NH2+]CC2CSC2)cc2c1OCC2 ZINC000698027956 964915652 /nfs/dbraw/zinc/91/56/52/964915652.db2.gz GDRCXMWKAXMNIJ-UHFFFAOYSA-N 1 0 235.352 2.074 20 10 BECDRO COc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)cc1C ZINC000696017276 965219091 /nfs/dbraw/zinc/21/90/91/965219091.db2.gz FQHLJEDOLIOLFD-LBPRGKRZSA-N 1 0 249.354 2.254 20 10 BECDRO CC(C)N(CCC[NH3+])c1ccc2c(c1)NCCO2 ZINC001164123095 965744839 /nfs/dbraw/zinc/74/48/39/965744839.db2.gz ZOQCTIUCFXRHFW-UHFFFAOYSA-N 1 0 249.358 2.055 20 10 BECDRO [NH3+][C@H]1CCN(c2ccc(C3=CCOCC3)cc2)C1 ZINC001164281316 965826146 /nfs/dbraw/zinc/82/61/46/965826146.db2.gz YQRZNBZAKYFHCE-AWEZNQCLSA-N 1 0 244.338 2.028 20 10 BECDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccccc1O ZINC000699474969 965903353 /nfs/dbraw/zinc/90/33/53/965903353.db2.gz LKBXIJOKBYGEKW-NHCYSSNCSA-N 1 0 221.300 2.078 20 10 BECDRO C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000699773177 966086254 /nfs/dbraw/zinc/08/62/54/966086254.db2.gz GBBZOVUWLIHJKY-YUSALJHKSA-N 1 0 233.311 2.004 20 10 BECDRO CCCC[C@H]1CN(Cc2ccc(N)cc2)CC[NH2+]1 ZINC001236139672 966275059 /nfs/dbraw/zinc/27/50/59/966275059.db2.gz ABGDNKISDNORER-HNNXBMFYSA-N 1 0 247.386 2.233 20 10 BECDRO CC(C)(C)c1cccc(CN2CC[C@H]([NH3+])C2)c1O ZINC001236169785 966282838 /nfs/dbraw/zinc/28/28/38/966282838.db2.gz GAEYMUJSXZJWQB-LBPRGKRZSA-N 1 0 248.370 2.223 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(O)c1 ZINC001236786684 966534233 /nfs/dbraw/zinc/53/42/33/966534233.db2.gz DQYSYEDPZHPROI-HNNXBMFYSA-N 1 0 247.338 2.319 20 10 BECDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CCC1=O ZINC001203550139 966684977 /nfs/dbraw/zinc/68/49/77/966684977.db2.gz JIHDMFGMOXKPCN-NSHDSACASA-N 1 0 233.311 2.193 20 10 BECDRO Oc1ccccc1C[NH+]1CC(c2cccnc2)C1 ZINC001203558518 966692125 /nfs/dbraw/zinc/69/21/25/966692125.db2.gz LPRBPWHUTWUIQI-UHFFFAOYSA-N 1 0 240.306 2.387 20 10 BECDRO COc1cccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c1O ZINC001203599165 966702290 /nfs/dbraw/zinc/70/22/90/966702290.db2.gz BBRSTBAEEIMHPS-CMPLNLGQSA-N 1 0 233.311 2.385 20 10 BECDRO COc1ccc(C[N@H+](C)Cc2ccno2)c(O)c1 ZINC001203634526 966713009 /nfs/dbraw/zinc/71/30/09/966713009.db2.gz KLNGXZARINNXMF-UHFFFAOYSA-N 1 0 248.282 2.021 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000691301109 966789189 /nfs/dbraw/zinc/78/91/89/966789189.db2.gz CQGGGMKLBNCMJU-GXTWGEPZSA-N 1 0 233.311 2.049 20 10 BECDRO CC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203874460 966804802 /nfs/dbraw/zinc/80/48/02/966804802.db2.gz YVCMCZRODPWLIG-UHFFFAOYSA-N 1 0 221.300 2.330 20 10 BECDRO CC1(C)CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203874901 966806113 /nfs/dbraw/zinc/80/61/13/966806113.db2.gz DYAFEMDMGWKNBS-UHFFFAOYSA-N 1 0 221.300 2.472 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCC[C@@]1(C)O ZINC001203549867 966928595 /nfs/dbraw/zinc/92/85/95/966928595.db2.gz ADTWSAWTAUSBCS-IUODEOHRSA-N 1 0 249.354 2.375 20 10 BECDRO CCC[N@H+](CC)Cc1ccc(O)cc1O ZINC001204272948 966950781 /nfs/dbraw/zinc/95/07/81/966950781.db2.gz VMAVAEWQOBWMQB-UHFFFAOYSA-N 1 0 209.289 2.330 20 10 BECDRO C[N@H+](Cc1ccc(O)cc1O)C1CCCC1 ZINC001204274714 966953668 /nfs/dbraw/zinc/95/36/68/966953668.db2.gz HIAVVNYDGHGARL-UHFFFAOYSA-N 1 0 221.300 2.472 20 10 BECDRO C[N@@H+](Cc1ccc(O)cc1O)CC1CCC1 ZINC001204274717 966955146 /nfs/dbraw/zinc/95/51/46/966955146.db2.gz HJORTBMOLHXKCJ-UHFFFAOYSA-N 1 0 221.300 2.330 20 10 BECDRO COc1cc(C[NH+]2CCCCC2)cc(O)c1O ZINC001204340083 966973937 /nfs/dbraw/zinc/97/39/37/966973937.db2.gz BGDJUYCVCAFBSV-UHFFFAOYSA-N 1 0 237.299 2.092 20 10 BECDRO Cc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)c1O ZINC001205076844 967327083 /nfs/dbraw/zinc/32/70/83/967327083.db2.gz XKQMJUNNZYYMRJ-AAEUAGOBSA-N 1 0 234.343 2.012 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CO1 ZINC000922213420 967602866 /nfs/dbraw/zinc/60/28/66/967602866.db2.gz AMSMLYYROGUFOX-SMDDNHRTSA-N 1 0 247.338 2.279 20 10 BECDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CC[C@@H]1C[NH3+] ZINC001205601922 967718919 /nfs/dbraw/zinc/71/89/19/967718919.db2.gz GSMDJDCNXISPPM-CHWSQXEVSA-N 1 0 248.370 2.199 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)CC[C@@H]1CN ZINC001205856021 967856871 /nfs/dbraw/zinc/85/68/71/967856871.db2.gz RXHHSQVWPOHPGS-WCQYABFASA-N 1 0 248.370 2.260 20 10 BECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CO1 ZINC000711231919 968003604 /nfs/dbraw/zinc/00/36/04/968003604.db2.gz NVMFKNGSDVFTTH-NWDGAFQWSA-N 1 0 221.300 2.049 20 10 BECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CO1 ZINC000711231933 968004809 /nfs/dbraw/zinc/00/48/09/968004809.db2.gz NVMFKNGSDVFTTH-VXGBXAGGSA-N 1 0 221.300 2.049 20 10 BECDRO OCc1ccnc(NCc2cc(F)ccc2O)c1 ZINC001206366738 968259793 /nfs/dbraw/zinc/25/97/93/968259793.db2.gz YGSAFNZOSPVRQW-UHFFFAOYSA-N 1 0 248.257 2.031 20 10 BECDRO CC(C)c1ccc(O)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC001207662774 968856121 /nfs/dbraw/zinc/85/61/21/968856121.db2.gz WBYDIJWAYXEGBS-NHYWBVRUSA-N 1 0 249.354 2.328 20 10 BECDRO CCN(Cc1ccon1)Cc1ccccc1O ZINC001209565881 969546359 /nfs/dbraw/zinc/54/63/59/969546359.db2.gz BLDBEILICDSUAS-UHFFFAOYSA-N 1 0 232.283 2.402 20 10 BECDRO CCc1cccc(C[NH2+]CCCOC)c1O ZINC000691483614 970009186 /nfs/dbraw/zinc/00/91/86/970009186.db2.gz ROFCFFDWIQURLR-UHFFFAOYSA-N 1 0 223.316 2.081 20 10 BECDRO COc1c[nH+]ccc1Nc1ccc(C)cc1O ZINC001211260972 970207579 /nfs/dbraw/zinc/20/75/79/970207579.db2.gz VJYKNGFQHBUKCZ-UHFFFAOYSA-N 1 0 230.267 2.270 20 10 BECDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCCOC2)c1 ZINC000401592607 970707386 /nfs/dbraw/zinc/70/73/86/970707386.db2.gz XSRJHAXOKRVSQI-ZDUSSCGKSA-N 1 0 235.327 2.311 20 10 BECDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CO1 ZINC000402055478 970757683 /nfs/dbraw/zinc/75/76/83/970757683.db2.gz RDOZBQMQHBNPJM-USWWRNFRSA-N 1 0 233.311 2.147 20 10 BECDRO CC1CC([N@H+](C)Cc2c(O)cc(O)cc2O)C1 ZINC001144499149 972847463 /nfs/dbraw/zinc/84/74/63/972847463.db2.gz CCAGOOPOLABSGG-UHFFFAOYSA-N 1 0 237.299 2.034 20 10 BECDRO CCOc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3C)cc1 ZINC001276925521 973301388 /nfs/dbraw/zinc/30/13/88/973301388.db2.gz DGQWYTSUVKMCTO-GJZGRUSLSA-N 1 0 246.354 2.368 20 10 BECDRO CCOc1ccc(N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001276926873 973308526 /nfs/dbraw/zinc/30/85/26/973308526.db2.gz ZTZRJIKTHHJUFC-SWLSCSKDSA-N 1 0 246.354 2.226 20 10 BECDRO Nc1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC001336117411 977517214 /nfs/dbraw/zinc/51/72/14/977517214.db2.gz MJCWMBFUHQSCLX-KGLIPLIRSA-N 1 0 246.354 2.127 20 10 BECDRO Cc1cc(Nc2cccc(O)c2O)cc(C)[nH+]1 ZINC001176056238 977908942 /nfs/dbraw/zinc/90/89/42/977908942.db2.gz UFWNVHACCJTKSS-UHFFFAOYSA-N 1 0 230.267 2.275 20 10 BECDRO Oc1cc(O)c(C[NH+]2CC=CC2)cc1Cl ZINC001232259902 977982725 /nfs/dbraw/zinc/98/27/25/977982725.db2.gz NEJUNLNSQHHRBT-UHFFFAOYSA-N 1 0 225.675 2.123 20 10 BECDRO COc1cc(O)c(C[NH+](C)C)cc1Cl ZINC001232266487 977986806 /nfs/dbraw/zinc/98/68/06/977986806.db2.gz VCQUYRBTXCJRAN-UHFFFAOYSA-N 1 0 215.680 2.116 20 10 BECDRO C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232834702 978302349 /nfs/dbraw/zinc/30/23/49/978302349.db2.gz JXIDCWMUTHPIQR-NSHDSACASA-N 1 0 234.343 2.443 20 10 BECDRO Oc1cc(C[N@H+](CC2CC2)C2CC2)cc(O)c1O ZINC001233015287 978411977 /nfs/dbraw/zinc/41/19/77/978411977.db2.gz IRROBVBJPMYQTF-UHFFFAOYSA-N 1 0 249.310 2.178 20 10 BECDRO Oc1cc(C[N@@H+]2CCC3(CCC3)C2)cc(O)c1O ZINC001233017191 978413751 /nfs/dbraw/zinc/41/37/51/978413751.db2.gz UKGMEOMFAPDZBU-UHFFFAOYSA-N 1 0 249.310 2.179 20 10 BECDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(N)cc1 ZINC001337838162 978519877 /nfs/dbraw/zinc/51/98/77/978519877.db2.gz JAPLZRBBECWMEZ-CQSZACIVSA-N 1 0 236.359 2.156 20 10 BECDRO COc1cc(Cl)cc(C[NH+]2CC=CC2)c1O ZINC001233287440 978534970 /nfs/dbraw/zinc/53/49/70/978534970.db2.gz PVNAXLVLGNDYJE-UHFFFAOYSA-N 1 0 239.702 2.426 20 10 BECDRO Oc1cc(O)c(C[NH+]2CC3(C2)CCCC3)cc1O ZINC001233483207 978611331 /nfs/dbraw/zinc/61/13/31/978611331.db2.gz QWRNZBOFCGABHC-UHFFFAOYSA-N 1 0 249.310 2.179 20 10 BECDRO COCC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000070079925 978806366 /nfs/dbraw/zinc/80/63/66/978806366.db2.gz DKHHBWHVRQULFL-UHFFFAOYSA-N 1 0 234.343 2.127 20 10 BECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCO1 ZINC000070346887 978832480 /nfs/dbraw/zinc/83/24/80/978832480.db2.gz PKJCCFZFZLSVQF-JSGCOSHPSA-N 1 0 248.370 2.410 20 10 BECDRO Oc1ccccc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235120427 978979105 /nfs/dbraw/zinc/97/91/05/978979105.db2.gz BJDZVZNQUHNVHE-HNNXBMFYSA-N 1 0 246.354 2.110 20 10 BECDRO CCc1ccc(CN2CC[NH2+]CC2(C)C)c(O)c1 ZINC001235826861 979163765 /nfs/dbraw/zinc/16/37/65/979163765.db2.gz DUDHTIKEACKSQR-UHFFFAOYSA-N 1 0 248.370 2.138 20 10 BECDRO CCc1ccc(CN2CC[NH2+]C(C)(C)C2)c(O)c1 ZINC001235838262 979167210 /nfs/dbraw/zinc/16/72/10/979167210.db2.gz ROLJTCZFDRVZQI-UHFFFAOYSA-N 1 0 248.370 2.138 20 10 BECDRO CCc1ccc(CN2[C@H](C)C[NH2+]C[C@H]2C)c(O)c1 ZINC001236104103 979392736 /nfs/dbraw/zinc/39/27/36/979392736.db2.gz VWNKVKAIHUTDSX-VXGBXAGGSA-N 1 0 248.370 2.137 20 10 BECDRO CCc1ccc(C[N@@H+]2CCOC[C@H]2C)c(O)c1 ZINC001236782851 979728561 /nfs/dbraw/zinc/72/85/61/979728561.db2.gz FSCASYSVMIBGGP-LLVKDONJSA-N 1 0 235.327 2.175 20 10 BECDRO CCc1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c(O)c1 ZINC001236783283 979730027 /nfs/dbraw/zinc/73/00/27/979730027.db2.gz JOGGUPCWTLKBFZ-CQSZACIVSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c(O)c1 ZINC001236789629 979733205 /nfs/dbraw/zinc/73/32/05/979733205.db2.gz BWKCOWXIYKRHBA-BXUZGUMPSA-N 1 0 249.354 2.300 20 10 BECDRO CCc1ccc(C[N@@H+]2CCCC[C@H](O)C2)c(O)c1 ZINC001236783282 979733970 /nfs/dbraw/zinc/73/39/70/979733970.db2.gz JOGGUPCWTLKBFZ-AWEZNQCLSA-N 1 0 249.354 2.301 20 10 BECDRO CCc1ccc(C[N@H+](C)[C@H]2CCN(C)C2)c(O)c1 ZINC001236795665 979741950 /nfs/dbraw/zinc/74/19/50/979741950.db2.gz YKSGVQWYCGRWET-AWEZNQCLSA-N 1 0 248.370 2.091 20 10 BECDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N(C)C)c(C)c1 ZINC001236868601 979768879 /nfs/dbraw/zinc/76/88/79/979768879.db2.gz NXWUFFLOLDFEJS-AWEZNQCLSA-N 1 0 249.402 2.230 20 10 BECDRO CC[C@H]([NH3+])CN(C)Cc1c(C)ccc(C)c1O ZINC001236867891 979769422 /nfs/dbraw/zinc/76/94/22/979769422.db2.gz DWDCWZXLSVJULJ-LBPRGKRZSA-N 1 0 236.359 2.178 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@H](O)CC[C@H]1C ZINC001237484855 979908589 /nfs/dbraw/zinc/90/85/89/979908589.db2.gz IUWCMWXQMHUKAZ-VXGBXAGGSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC001237486211 979911256 /nfs/dbraw/zinc/91/12/56/979911256.db2.gz XYZCKJQSGISREA-TZMCWYRMSA-N 1 0 249.354 2.293 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001237486681 979915257 /nfs/dbraw/zinc/91/52/57/979915257.db2.gz BHMWKYOKNUYQLA-OAHLLOKOSA-N 1 0 247.338 2.456 20 10 BECDRO CC[C@H]1COCC[N@@H+]1Cc1c(C)cccc1O ZINC001237487877 979916498 /nfs/dbraw/zinc/91/64/98/979916498.db2.gz NZDSFCPPPFDXQW-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]12CCOC2 ZINC001237495328 979917166 /nfs/dbraw/zinc/91/71/66/979917166.db2.gz PPOKQPVVEBAIJU-CQSZACIVSA-N 1 0 233.311 2.065 20 10 BECDRO CCN1CC[N@H+](Cc2c(C)cccc2O)[C@H](C)C1 ZINC001237492956 979917206 /nfs/dbraw/zinc/91/72/06/979917206.db2.gz YNIDGDXISLDKKC-CYBMUJFWSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cc(F)cc(C[N@H+]2CC[C@H]2C)c1O ZINC001238064884 980132592 /nfs/dbraw/zinc/13/25/92/980132592.db2.gz RFRTZWNJIIKGRL-SECBINFHSA-N 1 0 209.264 2.434 20 10 BECDRO Nc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC001345159316 980569725 /nfs/dbraw/zinc/56/97/25/980569725.db2.gz GBVXXWUQXJAVNY-HIFRSBDPSA-N 1 0 246.354 2.270 20 10 BECDRO C/C=C(\NC=[NH2+])c1ccc(N(C)C)cc1 ZINC001240912227 981961072 /nfs/dbraw/zinc/96/10/72/981961072.db2.gz YMIKXVLOUDBNSI-QCDXTXTGSA-N 1 0 203.289 2.310 20 10 BECDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc(N)cc2)cn1 ZINC001352790284 982582634 /nfs/dbraw/zinc/58/26/34/982582634.db2.gz QFCPCCMKLHCXDP-UHFFFAOYSA-N 1 0 244.342 2.027 20 10 BECDRO Cn1ccc2c1cc[nH+]c2-c1ccc(=O)[nH]c1 ZINC001242059882 983269706 /nfs/dbraw/zinc/26/97/06/983269706.db2.gz QPFNWTDXQBKZQK-UHFFFAOYSA-N 1 0 225.251 2.341 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000379967036 984062802 /nfs/dbraw/zinc/06/28/02/984062802.db2.gz IDTQFXARCJDOGH-LBPRGKRZSA-N 1 0 237.274 2.314 20 10 BECDRO CN(Cc1cc(Cl)ccc1O)CC(C)(C)[NH3+] ZINC000691993355 985110742 /nfs/dbraw/zinc/11/07/42/985110742.db2.gz QYUVTBITUWAXLR-UHFFFAOYSA-N 1 0 242.750 2.215 20 10 BECDRO CCc1cccc(C[N@@H+]2CCOC[C@H](C)C2)c1O ZINC000692112847 985407300 /nfs/dbraw/zinc/40/73/00/985407300.db2.gz BPXBSZSTIBNBCL-GFCCVEGCSA-N 1 0 249.354 2.423 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H](OC)C2)c1O ZINC000692108013 985408089 /nfs/dbraw/zinc/40/80/89/985408089.db2.gz GNMYUEGBTDANCW-ZDUSSCGKSA-N 1 0 235.327 2.175 20 10 BECDRO CCc1cccc(C[N@@H+]2CCOC[C@H]2C)c1O ZINC000692110396 985408847 /nfs/dbraw/zinc/40/88/47/985408847.db2.gz UNHINXUNXRYXSE-LLVKDONJSA-N 1 0 235.327 2.175 20 10 BECDRO Cc1ccc(C)c(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC001579672540 986176825 /nfs/dbraw/zinc/17/68/25/986176825.db2.gz GGWJSEOBNVWQRC-CYBMUJFWSA-N 1 0 244.338 2.314 20 10 BECDRO Cc1cccc(CC[NH2+]Cc2ccccc2O)n1 ZINC000280724819 986322116 /nfs/dbraw/zinc/32/21/16/986322116.db2.gz YILLXJYWXBKVHE-UHFFFAOYSA-N 1 0 242.322 2.428 20 10 BECDRO CCc1cccc(C[NH2+][C@@H](CC)[C@@H](C)O)c1O ZINC000691449484 987283770 /nfs/dbraw/zinc/28/37/70/987283770.db2.gz UCQUGFFXESPQCR-MFKMUULPSA-N 1 0 237.343 2.204 20 10 BECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1(CO)CC1 ZINC000696129661 987340469 /nfs/dbraw/zinc/34/04/69/987340469.db2.gz BZERZOXJZYFNQO-JQWIXIFHSA-N 1 0 247.338 2.130 20 10 BECDRO C[C@H]([NH2+]Cc1cccnc1N)c1ccccc1O ZINC001473725026 987538769 /nfs/dbraw/zinc/53/87/69/987538769.db2.gz YSAMPSPCGPCFPX-JTQLQIEISA-N 1 0 243.310 2.220 20 10 BECDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC001116505510 987608023 /nfs/dbraw/zinc/60/80/23/987608023.db2.gz IOUAGAUWFAFPGR-UONOGXRCSA-N 1 0 248.370 2.355 20 10 BECDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC001116505508 987608902 /nfs/dbraw/zinc/60/89/02/987608902.db2.gz IOUAGAUWFAFPGR-KBPBESRZSA-N 1 0 248.370 2.355 20 10 BECDRO Oc1cc(Cl)ccc1C[NH2+]C1CSC1 ZINC001474718918 987807924 /nfs/dbraw/zinc/80/79/24/987807924.db2.gz JPDXNUUGRKCNMP-UHFFFAOYSA-N 1 0 229.732 2.251 20 10 BECDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C2(CCC2)CO1 ZINC001120269637 989625200 /nfs/dbraw/zinc/62/52/00/989625200.db2.gz WVLFOWDSWTXSJY-GFCCVEGCSA-N 1 0 246.354 2.412 20 10 BECDRO Nc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC001120370807 989638428 /nfs/dbraw/zinc/63/84/28/989638428.db2.gz FUYLXGFPSSAFNF-RRFJBIMHSA-N 1 0 246.354 2.316 20 10 BECDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@H](C)CO)c1 ZINC001308744678 991116695 /nfs/dbraw/zinc/11/66/95/991116695.db2.gz HWRZVBTURQOGAM-LLVKDONJSA-N 1 0 237.343 2.328 20 10 BECDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC001308951788 991232379 /nfs/dbraw/zinc/23/23/79/991232379.db2.gz FOKPWDAIXNOKQE-YEORSEQZSA-N 1 0 249.354 2.376 20 10 BECDRO Cc1cc(C[N@H+](C)CCF)ccc1N(C)C ZINC001139673939 991309728 /nfs/dbraw/zinc/30/97/28/991309728.db2.gz JKSRLMAFUXAIGJ-UHFFFAOYSA-N 1 0 224.323 2.462 20 10 BECDRO Oc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001140058818 991511904 /nfs/dbraw/zinc/51/19/04/991511904.db2.gz MSCBVRHDHCFBBX-CNDDSTCGSA-N 1 0 239.265 2.179 20 10 BECDRO COCC1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178599 991549244 /nfs/dbraw/zinc/54/92/44/991549244.db2.gz QBLLBAHIPJUDMK-UHFFFAOYSA-N 1 0 235.327 2.087 20 10 BECDRO COC[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178685 991552528 /nfs/dbraw/zinc/55/25/28/991552528.db2.gz UQXGWTFLPANICG-CYBMUJFWSA-N 1 0 249.354 2.477 20 10 BECDRO CC(=O)[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184397 991555708 /nfs/dbraw/zinc/55/57/08/991555708.db2.gz RUFAOJHSZMQBST-CYBMUJFWSA-N 1 0 247.338 2.420 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1O ZINC001560811560 991611002 /nfs/dbraw/zinc/61/10/02/991611002.db2.gz PENYBKZLBABDDT-BXUZGUMPSA-N 1 0 249.354 2.157 20 10 BECDRO CC(C)c1ccc(O)c(CN2CC[C@H]([NH3+])C2)c1 ZINC001575858486 993115377 /nfs/dbraw/zinc/11/53/77/993115377.db2.gz IFFGHAODEYFEDX-ZDUSSCGKSA-N 1 0 234.343 2.049 20 10 BECDRO CC(C)c1ccc(O)c(CN(C)C[C@H](C)[NH3+])c1 ZINC001576150443 993193132 /nfs/dbraw/zinc/19/31/32/993193132.db2.gz ZJFJDEHUZYQEJU-NSHDSACASA-N 1 0 236.359 2.295 20 10 BECDRO CCCC[N@H+](CCCO)Cc1ccc(N)cc1 ZINC001577454512 993663914 /nfs/dbraw/zinc/66/39/14/993663914.db2.gz GUTLEWBJOHWFPT-UHFFFAOYSA-N 1 0 236.359 2.253 20 10 BECDRO CCO[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000701662463 993900796 /nfs/dbraw/zinc/90/07/96/993900796.db2.gz PVIXDAAGQJUOTE-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CC[C@H]1O ZINC001337780946 995221185 /nfs/dbraw/zinc/22/11/85/995221185.db2.gz OBXQXCVOFZVDBY-IRCOFANPSA-N 1 0 247.338 2.362 20 10 BECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)CO1 ZINC001621421443 1170803852 /nfs/dbraw/zinc/80/38/52/1170803852.db2.gz URMFCJKJROABRN-KWQFWETISA-N 1 0 241.718 2.313 20 10 BECDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCOC2)cc1C ZINC000176100300 178194518 /nfs/dbraw/zinc/19/45/18/178194518.db2.gz ZQSMAUNRNSVDSK-ZDUSSCGKSA-N 1 0 249.354 2.477 20 10 BECDRO Cc1cc(O)c(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1C ZINC000292707557 178196428 /nfs/dbraw/zinc/19/64/28/178196428.db2.gz CZUYVNINFARJDW-JSGCOSHPSA-N 1 0 249.354 2.354 20 10 BECDRO CC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1O ZINC000037738070 343353693 /nfs/dbraw/zinc/35/36/93/343353693.db2.gz OZUSVYXHPXICGZ-DGCLKSJQSA-N 1 0 235.327 2.469 20 10 BECDRO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1O ZINC000083378967 344174891 /nfs/dbraw/zinc/17/48/91/344174891.db2.gz YWWDBLUZFLCVSK-CQSZACIVSA-N 1 0 248.370 2.275 20 10 BECDRO CC[C@@H]([NH2+][C@@H](C)CCO)c1ccccc1O ZINC000120627661 344896421 /nfs/dbraw/zinc/89/64/21/344896421.db2.gz PVTMMBVOOIWYNH-CMPLNLGQSA-N 1 0 223.316 2.204 20 10 BECDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000194636454 192089177 /nfs/dbraw/zinc/08/91/77/192089177.db2.gz VODNWIHGBYUNBY-CQSZACIVSA-N 1 0 249.354 2.118 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCN(C)CC2(C)C)c1 ZINC000093457411 345671492 /nfs/dbraw/zinc/67/14/92/345671492.db2.gz CZNARXZVJHPLJV-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(C[NH+]2CCC(C)(O)CC2)c1O ZINC000180285633 179074188 /nfs/dbraw/zinc/07/41/88/179074188.db2.gz SXECPXYNOSZKQC-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(C[N@H+](C)C[C@H]2CCOC2)c1O ZINC000180624140 179067373 /nfs/dbraw/zinc/06/73/73/179067373.db2.gz FOGCVITZBZCKLK-GFCCVEGCSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cccc(C[N@H+]2CCOC[C@H](C)C2)c1O ZINC000378445179 179079821 /nfs/dbraw/zinc/07/98/21/179079821.db2.gz SLMLMAFQXUOJJI-LLVKDONJSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cccc(C[N@@H+]2CCOCC2(C)C)c1O ZINC000124565121 179080119 /nfs/dbraw/zinc/08/01/19/179080119.db2.gz JNKSJJDDRMFSDQ-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)c1O ZINC000180425850 179080432 /nfs/dbraw/zinc/08/04/32/179080432.db2.gz LXLFOGUOZCEUBU-AWEZNQCLSA-N 1 0 247.338 2.311 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@H](N(C)C)C2)c1O ZINC000124586036 179076866 /nfs/dbraw/zinc/07/68/66/179076866.db2.gz ZBDFLTSMOLXHLH-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(C[NH2+]CC2(N(C)C)CCC2)c1O ZINC000097927554 179090344 /nfs/dbraw/zinc/09/03/44/179090344.db2.gz PODOPHKEFVXISK-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1cccc(C[NH2+]C[C@H]2C[C@H]2C)c1O ZINC000162517968 179094199 /nfs/dbraw/zinc/09/41/99/179094199.db2.gz KPGSEGBANNYWPN-ZYHUDNBSSA-N 1 0 205.301 2.446 20 10 BECDRO Cc1cccc(C[NH2+][C@@H](C)CC(C)(C)O)c1O ZINC000295015400 179095004 /nfs/dbraw/zinc/09/50/04/179095004.db2.gz JWRWADUIFODDIK-NSHDSACASA-N 1 0 237.343 2.340 20 10 BECDRO Cc1cccc(C[NH2+]Cc2nccs2)c1O ZINC000162828672 179096819 /nfs/dbraw/zinc/09/68/19/179096819.db2.gz DOJDMZLNFUMPQF-UHFFFAOYSA-N 1 0 234.324 2.447 20 10 BECDRO Cc1cccc(C[NH2+][C@@H]2CCOC2(C)C)c1O ZINC000294722020 179097415 /nfs/dbraw/zinc/09/74/15/179097415.db2.gz FPCGXMPSGIVOHC-GFCCVEGCSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1nn(C)cc1C[N@H+](C)Cc1ccccc1O ZINC000091956485 180373780 /nfs/dbraw/zinc/37/37/80/180373780.db2.gz KBFXLODCDBNLHT-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(OC)cc1 ZINC000054603138 1172128792 /nfs/dbraw/zinc/12/87/92/1172128792.db2.gz ODGZYRIGFNFJJO-QXMXGUDHSA-N 1 0 246.354 2.414 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CCCO)c(O)c1C ZINC000134904187 191108913 /nfs/dbraw/zinc/10/89/13/191108913.db2.gz PPGSVJPTRLINMD-NSHDSACASA-N 1 0 223.316 2.042 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000071408227 188130246 /nfs/dbraw/zinc/13/02/46/188130246.db2.gz XXBJXVDJTKXKJG-CYBMUJFWSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCOC(C)C)c1 ZINC000134123399 188156378 /nfs/dbraw/zinc/15/63/78/188156378.db2.gz NOWWLHMSXNHFAQ-UHFFFAOYSA-N 1 0 223.316 2.215 20 10 BECDRO CO[C@@H](C)C[N@H+](C)Cc1cccc(C)c1O ZINC000289186395 188210796 /nfs/dbraw/zinc/21/07/96/188210796.db2.gz APKLOHBNDDUGAZ-NSHDSACASA-N 1 0 223.316 2.167 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000133945400 358773227 /nfs/dbraw/zinc/77/32/27/358773227.db2.gz PKSWHBPJLFGILT-CQSZACIVSA-N 1 0 246.354 2.062 20 10 BECDRO OC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000037362615 183027647 /nfs/dbraw/zinc/02/76/47/183027647.db2.gz HTTOEPDBGUTNLJ-UHFFFAOYSA-N 1 0 247.338 2.015 20 10 BECDRO OC1(CC[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000283800847 183016766 /nfs/dbraw/zinc/01/67/66/183016766.db2.gz AKTRYYFMRYYSRF-UHFFFAOYSA-N 1 0 247.338 2.016 20 10 BECDRO OCCCCC[NH2+]Cc1c(O)cccc1Cl ZINC000228733253 183047202 /nfs/dbraw/zinc/04/72/02/183047202.db2.gz WZDWWKYEPASLIV-UHFFFAOYSA-N 1 0 243.734 2.298 20 10 BECDRO OCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000267174728 183071228 /nfs/dbraw/zinc/07/12/28/183071228.db2.gz WIORHCUPTSFEBW-UHFFFAOYSA-N 1 0 235.327 2.129 20 10 BECDRO Oc1ccc(C[NH2+]C2CCSCC2)cc1O ZINC000076684878 183270979 /nfs/dbraw/zinc/27/09/79/183270979.db2.gz XNWHSRNOQJYLIP-UHFFFAOYSA-N 1 0 239.340 2.083 20 10 BECDRO Oc1ccc(F)cc1C[NH2+]Cc1ccco1 ZINC000083351051 183274589 /nfs/dbraw/zinc/27/45/89/183274589.db2.gz BQGSNOGAJPYDDQ-UHFFFAOYSA-N 1 0 221.231 2.414 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCOC1)CC2 ZINC000296072365 183296998 /nfs/dbraw/zinc/29/69/98/183296998.db2.gz SDTAPFQBDILBFD-PWSUYJOCSA-N 1 0 233.311 2.006 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCCO1)CC2 ZINC000295939088 183297565 /nfs/dbraw/zinc/29/75/65/183297565.db2.gz KTUUCZHGLYYODG-NWDGAFQWSA-N 1 0 233.311 2.148 20 10 BECDRO Oc1ccccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000037140851 183301024 /nfs/dbraw/zinc/30/10/24/183301024.db2.gz JHHAAIPDIVZTEB-UHFFFAOYSA-N 1 0 246.354 2.109 20 10 BECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCOC1 ZINC000112392437 169182720 /nfs/dbraw/zinc/18/27/20/169182720.db2.gz FYTSSEGMVCMPLD-CQSZACIVSA-N 1 0 234.343 2.151 20 10 BECDRO CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019432917 169275888 /nfs/dbraw/zinc/27/58/88/169275888.db2.gz GJILCRDYHDFOAH-VIFPVBQESA-N 1 0 209.289 2.461 20 10 BECDRO Cn1ccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000091956723 384157412 /nfs/dbraw/zinc/15/74/12/384157412.db2.gz BMOWQWJDSYQNND-UHFFFAOYSA-N 1 0 230.311 2.363 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C(C)C)c(O)c1 ZINC000092393666 384175427 /nfs/dbraw/zinc/17/54/27/384175427.db2.gz XBYBEHYHDZTCFY-WCQYABFASA-N 1 0 237.343 2.368 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)N(C)C)c1 ZINC000071406410 384165648 /nfs/dbraw/zinc/16/56/48/384165648.db2.gz HYGUWXMPWXHLNJ-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000071407943 384166888 /nfs/dbraw/zinc/16/68/88/384166888.db2.gz DUUVWICMDKEKOE-LBPRGKRZSA-N 1 0 245.326 2.075 20 10 BECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000042879742 384249311 /nfs/dbraw/zinc/24/93/11/384249311.db2.gz RCEFKTVDHRVNLM-QMMMGPOBSA-N 1 0 235.283 2.009 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000093645755 384255076 /nfs/dbraw/zinc/25/50/76/384255076.db2.gz RPFOOMUXWWUGTG-CQSZACIVSA-N 1 0 247.338 2.311 20 10 BECDRO C[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(F)ccc1O ZINC000094617783 384307935 /nfs/dbraw/zinc/30/79/35/384307935.db2.gz XMYUQNZCBNJGAL-UWVGGRQHSA-N 1 0 240.322 2.132 20 10 BECDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(F)ccc1O ZINC000094618464 384308177 /nfs/dbraw/zinc/30/81/77/384308177.db2.gz WSNYXCBCLVAULI-VHSXEESVSA-N 1 0 241.306 2.200 20 10 BECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(C)COC2)c1 ZINC000094721618 384310550 /nfs/dbraw/zinc/31/05/50/384310550.db2.gz JERIUHXHUYMEMF-NSHDSACASA-N 1 0 235.327 2.388 20 10 BECDRO CC[C@@H](CCO)C[NH2+]Cc1cc(C)ccc1O ZINC000094949624 384323398 /nfs/dbraw/zinc/32/33/98/384323398.db2.gz GWWWHBNXMCGNOS-LBPRGKRZSA-N 1 0 237.343 2.199 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000135209165 384425189 /nfs/dbraw/zinc/42/51/89/384425189.db2.gz YOGBOOVTTCZLDM-OCCSQVGLSA-N 1 0 248.370 2.267 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(N(C)C)cc1 ZINC000122812897 384510186 /nfs/dbraw/zinc/51/01/86/384510186.db2.gz YAZRJMTYSIBOTA-NWDGAFQWSA-N 1 0 236.359 2.174 20 10 BECDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)[C@H](C)CO ZINC000123206931 384539247 /nfs/dbraw/zinc/53/92/47/384539247.db2.gz ZRPSFUUYQJYEQH-RKDXNWHRSA-N 1 0 243.734 2.152 20 10 BECDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000183625847 384539343 /nfs/dbraw/zinc/53/93/43/384539343.db2.gz QJKRWFAAPAKNMT-GWCFXTLKSA-N 1 0 235.327 2.468 20 10 BECDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000123207178 384540261 /nfs/dbraw/zinc/54/02/61/384540261.db2.gz ZRPSFUUYQJYEQH-IUCAKERBSA-N 1 0 243.734 2.152 20 10 BECDRO COC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000183625875 384541387 /nfs/dbraw/zinc/54/13/87/384541387.db2.gz QJKRWFAAPAKNMT-GXFFZTMASA-N 1 0 235.327 2.468 20 10 BECDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000051991382 384706483 /nfs/dbraw/zinc/70/64/83/384706483.db2.gz FTQQCDKBHHFZSZ-JKOKRWQUSA-N 1 0 235.327 2.346 20 10 BECDRO COC[C@@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000294288993 384729217 /nfs/dbraw/zinc/72/92/17/384729217.db2.gz UCIYZUCQARQTTO-AWEZNQCLSA-N 1 0 235.327 2.251 20 10 BECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000290838301 384817362 /nfs/dbraw/zinc/81/73/62/384817362.db2.gz IBEWCEKGYSAFAS-GHMZBOCLSA-N 1 0 223.316 2.214 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CC2CCOCC2)c1 ZINC000104188131 384810889 /nfs/dbraw/zinc/81/08/89/384810889.db2.gz SNSUCANNDGJZCQ-UHFFFAOYSA-N 1 0 235.327 2.217 20 10 BECDRO CN(C)c1ccc(C[NH2+]Cc2cncs2)cc1 ZINC000054770295 384853307 /nfs/dbraw/zinc/85/33/07/384853307.db2.gz LKTUJINFYOGYFD-UHFFFAOYSA-N 1 0 247.367 2.499 20 10 BECDRO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297794998 384917883 /nfs/dbraw/zinc/91/78/83/384917883.db2.gz QDQSQZAQUZUTDX-VHRBIJSZSA-N 1 0 249.354 2.376 20 10 BECDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000086122459 384988698 /nfs/dbraw/zinc/98/86/98/384988698.db2.gz WRJCPZSSSNUZPH-CMPLNLGQSA-N 1 0 223.316 2.060 20 10 BECDRO CCOCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111380 385074570 /nfs/dbraw/zinc/07/45/70/385074570.db2.gz WTOGWVRNISTGLD-SECBINFHSA-N 1 0 227.279 2.218 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000128565422 385047356 /nfs/dbraw/zinc/04/73/56/385047356.db2.gz AJJSDMKNBJIRDT-NEPJUHHUSA-N 1 0 236.359 2.266 20 10 BECDRO CC[C@H]([NH2+][C@H](C)CO)c1ccc(N(C)C)cc1 ZINC000151176744 385090083 /nfs/dbraw/zinc/09/00/83/385090083.db2.gz VDGLQRFRIKJKFL-RISCZKNCSA-N 1 0 236.359 2.174 20 10 BECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000294656528 385100477 /nfs/dbraw/zinc/10/04/77/385100477.db2.gz CJEZRRPASUBUGB-JMSVASOKSA-N 1 0 248.370 2.408 20 10 BECDRO C[C@H]([NH2+]CCOCC(F)F)c1ccccc1O ZINC000189831626 385188833 /nfs/dbraw/zinc/18/88/33/385188833.db2.gz NLLQRQYXDQUBRS-VIFPVBQESA-N 1 0 245.269 2.325 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000189942302 385197621 /nfs/dbraw/zinc/19/76/21/385197621.db2.gz QYFNPGMYYINFRH-JSGCOSHPSA-N 1 0 249.354 2.341 20 10 BECDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccccc1O ZINC000189315879 385144382 /nfs/dbraw/zinc/14/43/82/385144382.db2.gz QJRFETVGNWMENF-SRVKXCTJSA-N 1 0 235.327 2.204 20 10 BECDRO CC[C@H]([NH2+][C@@H](C)CO)c1ccc(C)cc1O ZINC000279957346 385237135 /nfs/dbraw/zinc/23/71/35/385237135.db2.gz CDCQPHXZLJMCMH-JQWIXIFHSA-N 1 0 223.316 2.122 20 10 BECDRO CC[C@H]([NH2+][C@H](C)CO)c1ccc(C)cc1O ZINC000279957347 385237700 /nfs/dbraw/zinc/23/77/00/385237700.db2.gz CDCQPHXZLJMCMH-PWSUYJOCSA-N 1 0 223.316 2.122 20 10 BECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1CCOC1 ZINC000167453385 385316824 /nfs/dbraw/zinc/31/68/24/385316824.db2.gz GLTWUXBGGHVFQA-GRYCIOLGSA-N 1 0 235.327 2.468 20 10 BECDRO COC[C@@H]([NH2+]Cc1ccccc1O)c1ccco1 ZINC000177572051 385263507 /nfs/dbraw/zinc/26/35/07/385263507.db2.gz OFNANHVLCFJEJL-GFCCVEGCSA-N 1 0 247.294 2.463 20 10 BECDRO CC[C@H]([NH2+]C[C@H](C)O)c1ccc(C)cc1O ZINC000280224566 385282419 /nfs/dbraw/zinc/28/24/19/385282419.db2.gz UYMREXCVQXEGJN-JQWIXIFHSA-N 1 0 223.316 2.122 20 10 BECDRO CO[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000191210552 385291768 /nfs/dbraw/zinc/29/17/68/385291768.db2.gz ZDJRDIJZURWGSH-RKDXNWHRSA-N 1 0 227.279 2.217 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)C)c(O)c1 ZINC000168777269 385386689 /nfs/dbraw/zinc/38/66/89/385386689.db2.gz QFCAVOKSASDPCA-FZMZJTMJSA-N 1 0 237.343 2.368 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](N(C)C)C2)c1 ZINC000156068178 385434249 /nfs/dbraw/zinc/43/42/49/385434249.db2.gz UMISVKRRRCQERJ-CQSZACIVSA-N 1 0 248.370 2.227 20 10 BECDRO C[N@H+](Cc1ccccc1O)[C@H]1CCSC1 ZINC000179560714 385474452 /nfs/dbraw/zinc/47/44/52/385474452.db2.gz JFLDEFJXNKDSIT-NSHDSACASA-N 1 0 223.341 2.330 20 10 BECDRO CO[C@]1(C)CCC[N@H+](Cc2ccccc2O)C1 ZINC000230299918 385728884 /nfs/dbraw/zinc/72/88/84/385728884.db2.gz BHXRQSSZZCFJQD-CQSZACIVSA-N 1 0 235.327 2.393 20 10 BECDRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1O ZINC000183448360 385763637 /nfs/dbraw/zinc/76/36/37/385763637.db2.gz ZZSJETRYQCZQGR-NWDGAFQWSA-N 1 0 234.343 2.137 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000271204815 385802271 /nfs/dbraw/zinc/80/22/71/385802271.db2.gz VOZIKSISFUZGII-JSGCOSHPSA-N 1 0 249.354 2.436 20 10 BECDRO CCC1(O)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000271194276 385804218 /nfs/dbraw/zinc/80/42/18/385804218.db2.gz NAVDGHKSGCNABS-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO CC[C@@H](CO)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284977855 385891646 /nfs/dbraw/zinc/89/16/46/385891646.db2.gz GADVTXDYBLIZOE-NEPJUHHUSA-N 1 0 237.343 2.431 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCC[C@@H]1O ZINC000272587408 385915804 /nfs/dbraw/zinc/91/58/04/385915804.db2.gz HIJKCXIFKZCQPB-HIFRSBDPSA-N 1 0 249.354 2.375 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCO)c(O)c1C ZINC000273359228 385991656 /nfs/dbraw/zinc/99/16/56/385991656.db2.gz ABQJCUFUPBTCAV-PWSUYJOCSA-N 1 0 237.343 2.431 20 10 BECDRO CO[C@H](C)C[N@H+](C)Cc1cccc(C)c1O ZINC000289186392 386268346 /nfs/dbraw/zinc/26/83/46/386268346.db2.gz APKLOHBNDDUGAZ-LLVKDONJSA-N 1 0 223.316 2.167 20 10 BECDRO CC(C)C[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000226586222 386336816 /nfs/dbraw/zinc/33/68/16/386336816.db2.gz YZRXYPQNVOACMV-GFCCVEGCSA-N 1 0 241.306 2.028 20 10 BECDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000135224904 386497840 /nfs/dbraw/zinc/49/78/40/386497840.db2.gz RVTYXBSZZXIBNR-TZMCWYRMSA-N 1 0 235.327 2.439 20 10 BECDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccccc1O ZINC000228851734 386626886 /nfs/dbraw/zinc/62/68/86/386626886.db2.gz WMNDEMWEVMIVIJ-ZWKOPEQDSA-N 1 0 235.327 2.202 20 10 BECDRO Cc1cc(C[NH+]2CCC(O)CC2)ccc1N(C)C ZINC000293339875 386653867 /nfs/dbraw/zinc/65/38/67/386653867.db2.gz DBCMSVLVKLDZKG-UHFFFAOYSA-N 1 0 248.370 2.018 20 10 BECDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000228799479 386618294 /nfs/dbraw/zinc/61/82/94/386618294.db2.gz CHDNFGLDWVACGY-NEPJUHHUSA-N 1 0 237.343 2.451 20 10 BECDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000293616583 386661086 /nfs/dbraw/zinc/66/10/86/386661086.db2.gz JLKRMERUIRRIQD-RYUDHWBXSA-N 1 0 237.343 2.431 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+]CCCCO)c(O)c1C ZINC000279485378 386687027 /nfs/dbraw/zinc/68/70/27/386687027.db2.gz LEZZTZPPBYQYHJ-GFCCVEGCSA-N 1 0 237.343 2.432 20 10 BECDRO CC[C@H]1CC[N@@H+]1Cc1cccc(OC)c1O ZINC000292872610 386739336 /nfs/dbraw/zinc/73/93/36/386739336.db2.gz WOCHNUWQSZCABZ-NSHDSACASA-N 1 0 221.300 2.385 20 10 BECDRO Cc1nnsc1C[NH2+][C@@H](C)c1ccccc1O ZINC000293262086 386789635 /nfs/dbraw/zinc/78/96/35/386789635.db2.gz CAAXFFFULVLQKB-QMMMGPOBSA-N 1 0 249.339 2.403 20 10 BECDRO CC[C@@H]([NH2+]C[C@@H](C)CO)c1ccc(C)cc1O ZINC000280036705 386773284 /nfs/dbraw/zinc/77/32/84/386773284.db2.gz IMJAAHLJJKNOCI-DGCLKSJQSA-N 1 0 237.343 2.370 20 10 BECDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccccc1O ZINC000284524954 387202822 /nfs/dbraw/zinc/20/28/22/387202822.db2.gz ZKRMRSFQFSZARE-LLVKDONJSA-N 1 0 235.327 2.348 20 10 BECDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)O ZINC000292900959 387259415 /nfs/dbraw/zinc/25/94/15/387259415.db2.gz DQQGCMBLJWQMGO-AWEZNQCLSA-N 1 0 249.354 2.261 20 10 BECDRO C[C@@H]([NH2+]CCN(C)C)c1cc(Cl)ccc1O ZINC000287005214 387352225 /nfs/dbraw/zinc/35/22/25/387352225.db2.gz KIZSHQVNEJJKKT-SECBINFHSA-N 1 0 242.750 2.258 20 10 BECDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccccc1O ZINC000527762509 387700712 /nfs/dbraw/zinc/70/07/12/387700712.db2.gz CZNNSSTYNFPXTL-RISCZKNCSA-N 1 0 233.311 2.049 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1 ZINC000527767099 387702860 /nfs/dbraw/zinc/70/28/60/387702860.db2.gz RXIDMXUNPTYURR-DOMZBBRYSA-N 1 0 247.338 2.358 20 10 BECDRO CO[C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000378637465 387790591 /nfs/dbraw/zinc/79/05/91/387790591.db2.gz NJXNYELMLVEYFG-ZDUSSCGKSA-N 1 0 235.327 2.393 20 10 BECDRO CSC1(C[NH2+]Cc2ccccc2O)CC1 ZINC000193659821 387800527 /nfs/dbraw/zinc/80/05/27/387800527.db2.gz SGLXMMPFQGKBPR-UHFFFAOYSA-N 1 0 223.341 2.377 20 10 BECDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000294822656 388404562 /nfs/dbraw/zinc/40/45/62/388404562.db2.gz PDCWNWASNBMOBA-NSHDSACASA-N 1 0 239.290 2.188 20 10 BECDRO C[C@H](CCCCO)[NH2+]Cc1ccccc1O ZINC000272517595 389034001 /nfs/dbraw/zinc/03/40/01/389034001.db2.gz XYYOMFPCMCGACA-LLVKDONJSA-N 1 0 223.316 2.033 20 10 BECDRO OCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000020188503 132330127 /nfs/dbraw/zinc/33/01/27/132330127.db2.gz OZXTYAYZEPUCGG-UHFFFAOYSA-N 1 0 248.370 2.149 20 10 BECDRO CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000034837364 132336980 /nfs/dbraw/zinc/33/69/80/132336980.db2.gz WPOQEHWZTOXJQH-LBPRGKRZSA-N 1 0 234.343 2.194 20 10 BECDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000035111476 132337570 /nfs/dbraw/zinc/33/75/70/132337570.db2.gz XWPXKQPZCCPQHJ-ZDUSSCGKSA-N 1 0 248.370 2.147 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]CC1=CCCOC1)CC2 ZINC000297260608 135380104 /nfs/dbraw/zinc/38/01/04/135380104.db2.gz JXWUCROKUDACEW-ZDUSSCGKSA-N 1 0 245.322 2.316 20 10 BECDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N)cc2)C1 ZINC000062976997 1172793743 /nfs/dbraw/zinc/79/37/43/1172793743.db2.gz AQSQIQRFCZMSGY-OAHLLOKOSA-N 1 0 247.386 2.185 20 10 BECDRO CC(C)OCCC[NH2+]Cc1cc(F)ccc1O ZINC000083369422 167222641 /nfs/dbraw/zinc/22/26/41/167222641.db2.gz DKFQJJLRWGNKRE-UHFFFAOYSA-N 1 0 241.306 2.436 20 10 BECDRO CC(C)OCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000168954055 167241688 /nfs/dbraw/zinc/24/16/88/167241688.db2.gz NDYUACVIWRJRKI-UHFFFAOYSA-N 1 0 235.327 2.136 20 10 BECDRO CC1([NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000180854450 168063224 /nfs/dbraw/zinc/06/32/24/168063224.db2.gz FNHJQPLSIMEJFU-UHFFFAOYSA-N 1 0 239.290 2.190 20 10 BECDRO CCn1cc(C[NH2+]Cc2cccc(C)c2O)cn1 ZINC000271843857 172171486 /nfs/dbraw/zinc/17/14/86/172171486.db2.gz RICKYCFYARSHMP-UHFFFAOYSA-N 1 0 245.326 2.207 20 10 BECDRO CCn1cc(C[NH2+]Cc2cc(F)ccc2O)cn1 ZINC000272381360 172172650 /nfs/dbraw/zinc/17/26/50/172172650.db2.gz HRMGPFGPIKOXNE-UHFFFAOYSA-N 1 0 249.289 2.038 20 10 BECDRO COCCCC[NH2+][C@@H](C)c1ccccc1O ZINC000044655463 174202041 /nfs/dbraw/zinc/20/20/41/174202041.db2.gz MIBWSAFSEXQKEO-NSHDSACASA-N 1 0 223.316 2.469 20 10 BECDRO COCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000020142543 174247634 /nfs/dbraw/zinc/24/76/34/174247634.db2.gz PCXGVNRJBOQYGK-UHFFFAOYSA-N 1 0 229.707 2.172 20 10 BECDRO COCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052468 174248191 /nfs/dbraw/zinc/24/81/91/174248191.db2.gz LNGZICMLDZFOGE-UHFFFAOYSA-N 1 0 223.316 2.130 20 10 BECDRO COCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628872 174249240 /nfs/dbraw/zinc/24/92/40/174249240.db2.gz YZAXZNLLCKMZGX-NSHDSACASA-N 1 0 223.316 2.388 20 10 BECDRO COCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000045018610 174383820 /nfs/dbraw/zinc/38/38/20/174383820.db2.gz GHYXNMQMVUAFAY-GFCCVEGCSA-N 1 0 236.359 2.267 20 10 BECDRO CN(C)c1ccc(C[NH2+]CC2CC2)cc1F ZINC000066991123 1173065823 /nfs/dbraw/zinc/06/58/23/1173065823.db2.gz GJLAGADELVBHMV-UHFFFAOYSA-N 1 0 222.307 2.391 20 10 BECDRO COc1ccc(C[NH2+]C(C)(C)CCO)cc1C ZINC000135228129 175106013 /nfs/dbraw/zinc/10/60/13/175106013.db2.gz XZFPCQPLLNJPHX-UHFFFAOYSA-N 1 0 237.343 2.254 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1C ZINC000234927575 175107143 /nfs/dbraw/zinc/10/71/43/175107143.db2.gz YCKNCSSWAUNGJG-KGLIPLIRSA-N 1 0 249.354 2.254 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1C ZINC000234927365 175107186 /nfs/dbraw/zinc/10/71/86/175107186.db2.gz YCKNCSSWAUNGJG-ZIAGYGMSSA-N 1 0 249.354 2.254 20 10 BECDRO COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1C ZINC000035052587 175107306 /nfs/dbraw/zinc/10/73/06/175107306.db2.gz ROMWRAOVVVVNLX-ZDUSSCGKSA-N 1 0 235.327 2.272 20 10 BECDRO COc1ccc(C[NH2+]Cc2cncn2C)cc1C ZINC000237251547 175108727 /nfs/dbraw/zinc/10/87/27/175108727.db2.gz FHYQSCHQYHSJES-UHFFFAOYSA-N 1 0 245.326 2.027 20 10 BECDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1C ZINC000052000448 175112131 /nfs/dbraw/zinc/11/21/31/175112131.db2.gz MBYFNMWUBWBAGR-KBPBESRZSA-N 1 0 249.354 2.397 20 10 BECDRO COc1ccc(O)c(C[N@H+](C)CC2CC2)c1 ZINC000179793099 175157732 /nfs/dbraw/zinc/15/77/32/175157732.db2.gz PLRFQVTXTTVLSP-UHFFFAOYSA-N 1 0 221.300 2.243 20 10 BECDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000162519153 175159165 /nfs/dbraw/zinc/15/91/65/175159165.db2.gz GGMHGNJOIFORPV-NXEZZACHSA-N 1 0 221.300 2.146 20 10 BECDRO COc1cccc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1O ZINC000211649950 175261385 /nfs/dbraw/zinc/26/13/85/175261385.db2.gz BXXKHHJMXVABSY-QWRGUYRKSA-N 1 0 235.327 2.489 20 10 BECDRO COc1cccc(C[NH2+]Cc2ccccn2)c1O ZINC000006625212 175266081 /nfs/dbraw/zinc/26/60/81/175266081.db2.gz JUCYGHNASSUSEP-UHFFFAOYSA-N 1 0 244.294 2.086 20 10 BECDRO C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134925721 175756767 /nfs/dbraw/zinc/75/67/67/175756767.db2.gz CASBAUFVGCNWLF-YUMQZZPRSA-N 1 0 229.707 2.077 20 10 BECDRO C[C@@H]1C[NH+](Cc2ccccc2O)C[C@H]1C ZINC000132753023 176307095 /nfs/dbraw/zinc/30/70/95/176307095.db2.gz ZLYRARXNDQHOJF-GHMZBOCLSA-N 1 0 205.301 2.480 20 10 BECDRO C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000097987284 177109925 /nfs/dbraw/zinc/10/99/25/177109925.db2.gz YSNKXOYQHQMGRL-VIFPVBQESA-N 1 0 235.283 2.105 20 10 BECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1C ZINC000129580227 323008817 /nfs/dbraw/zinc/00/88/17/323008817.db2.gz CTQUJXKNJWGVTF-ZIAGYGMSSA-N 1 0 249.354 2.253 20 10 BECDRO CC[C@H](CO)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840937766 583166929 /nfs/dbraw/zinc/16/69/29/583166929.db2.gz XMVXOZHFEYKQSK-SECBINFHSA-N 1 0 243.734 2.215 20 10 BECDRO CCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894147252 583318690 /nfs/dbraw/zinc/31/86/90/583318690.db2.gz IPOTVFYGLVEPRS-UHFFFAOYSA-N 1 0 209.289 2.209 20 10 BECDRO COc1cc(C)cc(C[NH2+]CCSC)c1O ZINC000894150816 583319100 /nfs/dbraw/zinc/31/91/00/583319100.db2.gz RYGFTZQHNMURPJ-UHFFFAOYSA-N 1 0 241.356 2.162 20 10 BECDRO Cc1ccc(CN(C)CC[N@H+](C)C2CC2)c(O)c1 ZINC000877528813 583323749 /nfs/dbraw/zinc/32/37/49/583323749.db2.gz LHPAMKMLLGPQMN-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2C[C@H]2C)c1O ZINC000894175548 583326840 /nfs/dbraw/zinc/32/68/40/583326840.db2.gz IXXONWGOSLKDLF-MNOVXSKESA-N 1 0 235.327 2.455 20 10 BECDRO Cc1ccc(C[NH2+]CC[C@H](C)CCO)c(O)c1 ZINC000877556420 583331122 /nfs/dbraw/zinc/33/11/22/583331122.db2.gz GBYHXDRYWBTGHL-NSHDSACASA-N 1 0 237.343 2.199 20 10 BECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1c(C)cccc1O ZINC000877779157 583347942 /nfs/dbraw/zinc/34/79/42/583347942.db2.gz ZRJCDRFCURYDAF-VXGBXAGGSA-N 1 0 237.343 2.340 20 10 BECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1c(C)cccc1O ZINC000894481331 583470827 /nfs/dbraw/zinc/47/08/27/583470827.db2.gz WRLLSJMTPHVVPD-PCAWENJQSA-N 1 0 235.327 2.117 20 10 BECDRO CCc1cccc(C[NH2+]C[C@H]2CC(C)=NO2)c1O ZINC000895299841 583641858 /nfs/dbraw/zinc/64/18/58/583641858.db2.gz GQZUAUVMNXEZOX-CYBMUJFWSA-N 1 0 248.326 2.209 20 10 BECDRO COc1ccc(C[NH2+][C@H]2C=CCC2)c(O)c1OC ZINC000895338962 583653298 /nfs/dbraw/zinc/65/32/98/583653298.db2.gz WJIMOIPPCINSCE-NSHDSACASA-N 1 0 249.310 2.218 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000895564773 583691290 /nfs/dbraw/zinc/69/12/90/583691290.db2.gz LYLHFEMHVMJRJZ-UHFFFAOYSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)CCCF ZINC000895895832 583743839 /nfs/dbraw/zinc/74/38/39/583743839.db2.gz DYCOUFQBJNVUMK-UHFFFAOYSA-N 1 0 211.280 2.492 20 10 BECDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccccc2O)C1 ZINC000895925630 583747586 /nfs/dbraw/zinc/74/75/86/583747586.db2.gz HAJDPRHRWCAEPQ-ZDUSSCGKSA-N 1 0 249.354 2.375 20 10 BECDRO Cc1cccc(C[NH+]2CC(OC(C)C)C2)c1O ZINC000895955092 583752810 /nfs/dbraw/zinc/75/28/10/583752810.db2.gz ONCMIAHTPLFYFC-UHFFFAOYSA-N 1 0 235.327 2.310 20 10 BECDRO COCC1C[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000895971521 583756164 /nfs/dbraw/zinc/75/61/64/583756164.db2.gz RYDYPYKPKWFOPN-UHFFFAOYSA-N 1 0 235.327 2.087 20 10 BECDRO COc1cccc(O)c1C[NH2+]CC1CC=CC1 ZINC000858221004 588939487 /nfs/dbraw/zinc/93/94/87/588939487.db2.gz XDYAGFZIIRHXOK-UHFFFAOYSA-N 1 0 233.311 2.457 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC23CC(O)C3)cc1C ZINC000897849975 584054720 /nfs/dbraw/zinc/05/47/20/584054720.db2.gz CEVGKNOYNSTRQD-HNFVBEJKSA-N 1 0 247.338 2.012 20 10 BECDRO Cc1cc(O)c(C[NH2+]CC[C@H](O)C2CC2)cc1C ZINC000898202502 584089693 /nfs/dbraw/zinc/08/96/93/584089693.db2.gz JBCQNQMRBYHNLF-AWEZNQCLSA-N 1 0 249.354 2.260 20 10 BECDRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1ccccc1O ZINC000902447888 584604776 /nfs/dbraw/zinc/60/47/76/584604776.db2.gz BSXCPXKIEVNXNX-MFKMUULPSA-N 1 0 234.343 2.041 20 10 BECDRO Cc1ccc(O)c([C@@H](C)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902450164 584606194 /nfs/dbraw/zinc/60/61/94/584606194.db2.gz RNSCMQYJTGFBDF-BXUZGUMPSA-N 1 0 248.370 2.349 20 10 BECDRO C[C@H]([NH2+]Cc1csc(N)n1)c1ccccc1O ZINC000902492330 584618622 /nfs/dbraw/zinc/61/86/22/584618622.db2.gz XVGUSNAVCXVBQO-QMMMGPOBSA-N 1 0 249.339 2.282 20 10 BECDRO CCN(C[C@H]1CCC[NH2+]1)c1ccc(OC)cc1 ZINC000903430510 584761620 /nfs/dbraw/zinc/76/16/20/584761620.db2.gz URIWNOJMSRJJOM-GFCCVEGCSA-N 1 0 234.343 2.274 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c(O)c1 ZINC000877062971 584889346 /nfs/dbraw/zinc/88/93/46/584889346.db2.gz AAEHSJWPLHXJJM-WCQYABFASA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c(O)c1 ZINC000877062966 584889393 /nfs/dbraw/zinc/88/93/93/584889393.db2.gz AAEHSJWPLHXJJM-DGCLKSJQSA-N 1 0 235.327 2.215 20 10 BECDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)c(O)c1 ZINC000877118650 584890747 /nfs/dbraw/zinc/89/07/47/584890747.db2.gz IUYSVTLCNUJPEV-YPMHNXCESA-N 1 0 235.327 2.358 20 10 BECDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000877118649 584890803 /nfs/dbraw/zinc/89/08/03/584890803.db2.gz IUYSVTLCNUJPEV-WCQYABFASA-N 1 0 235.327 2.358 20 10 BECDRO CC[C@H]([NH2+]CCC[NH2+]C)c1ccc(F)cc1[O-] ZINC000817941741 584991842 /nfs/dbraw/zinc/99/18/42/584991842.db2.gz WAYDBYBAWBVKMI-LBPRGKRZSA-N 1 0 240.322 2.182 20 10 BECDRO CCC(O)(CC)CC[NH2+]Cc1ccccc1O ZINC000788078779 585009965 /nfs/dbraw/zinc/00/99/65/585009965.db2.gz ZWTFXLABAIEGDJ-UHFFFAOYSA-N 1 0 237.343 2.423 20 10 BECDRO CCOC1(C)C[NH+](Cc2cccc(C)c2O)C1 ZINC000839142020 585094941 /nfs/dbraw/zinc/09/49/41/585094941.db2.gz DUSUULFZHQWOIW-UHFFFAOYSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCO2)cc1C ZINC000742366032 585125039 /nfs/dbraw/zinc/12/50/39/585125039.db2.gz BPJFLQGJEVATGV-ZDUSSCGKSA-N 1 0 235.327 2.278 20 10 BECDRO Oc1ccccc1C[NH2+]Cc1cccc(F)n1 ZINC000747936878 585186152 /nfs/dbraw/zinc/18/61/52/585186152.db2.gz BHZAKJRIQMLPRQ-UHFFFAOYSA-N 1 0 232.258 2.216 20 10 BECDRO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccccc1O ZINC000754155927 585279357 /nfs/dbraw/zinc/27/93/57/585279357.db2.gz LVMHQATVKWWOKK-NSHDSACASA-N 1 0 235.327 2.392 20 10 BECDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000754736145 585290211 /nfs/dbraw/zinc/29/02/11/585290211.db2.gz HOHLAHCHHXYJRO-OKILXGFUSA-N 1 0 247.338 2.372 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H](CO)CC2CC2)cc1C ZINC000754833591 585291337 /nfs/dbraw/zinc/29/13/37/585291337.db2.gz KJXPLDXKSNYAMB-AWEZNQCLSA-N 1 0 249.354 2.260 20 10 BECDRO COCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756342424 585317996 /nfs/dbraw/zinc/31/79/96/585317996.db2.gz JPNRSTNJVBJBOY-PSASIEDQSA-N 1 0 239.290 2.316 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)c(O)c1C ZINC000756769825 585322761 /nfs/dbraw/zinc/32/27/61/585322761.db2.gz QYFFECQQWGJNQT-VXGBXAGGSA-N 1 0 235.327 2.449 20 10 BECDRO COCC1([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000756849837 585324367 /nfs/dbraw/zinc/32/43/67/585324367.db2.gz FYOLZZXIXFJGQZ-VIFPVBQESA-N 1 0 239.290 2.361 20 10 BECDRO CCN(CC)c1ccc(CN(C)[C@@H](C)C[NH3+])cc1 ZINC000843051514 585332149 /nfs/dbraw/zinc/33/21/49/585332149.db2.gz JPRGUNNDDZMSAK-ZDUSSCGKSA-N 1 0 249.402 2.312 20 10 BECDRO Cc1cccc(C[N@@H+](C)CC2(O)CCC2)c1O ZINC000761219301 585412414 /nfs/dbraw/zinc/41/24/14/585412414.db2.gz MVCZXTYDJJNQMH-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765607989 585491161 /nfs/dbraw/zinc/49/11/61/585491161.db2.gz GJUREHQQUJQBIV-MNOVXSKESA-N 1 0 235.327 2.135 20 10 BECDRO CCN(C)c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000773841194 585644700 /nfs/dbraw/zinc/64/47/00/585644700.db2.gz VKFKWQDZCDZDBB-HNNXBMFYSA-N 1 0 248.370 2.003 20 10 BECDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000774830337 585666889 /nfs/dbraw/zinc/66/68/89/585666889.db2.gz BZHFTWQWWTULLE-JSGCOSHPSA-N 1 0 235.327 2.297 20 10 BECDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000774830339 585666957 /nfs/dbraw/zinc/66/69/57/585666957.db2.gz BZHFTWQWWTULLE-OCCSQVGLSA-N 1 0 235.327 2.297 20 10 BECDRO Cc1cccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c1O ZINC000775985813 585689001 /nfs/dbraw/zinc/68/90/01/585689001.db2.gz OLOBGHLCSWHDES-CHWSQXEVSA-N 1 0 248.370 2.225 20 10 BECDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccccc1O ZINC000777824410 585720862 /nfs/dbraw/zinc/72/08/62/585720862.db2.gz FBQVPOFHWAVVHU-GXTWGEPZSA-N 1 0 248.370 2.164 20 10 BECDRO Cc1ccc(O)c(C[N@H+]2CC=CCC2)c1 ZINC000779159669 585746027 /nfs/dbraw/zinc/74/60/27/585746027.db2.gz PTPBMRNINGSEOW-UHFFFAOYSA-N 1 0 203.285 2.463 20 10 BECDRO CC[C@]1(O)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000779220086 585747552 /nfs/dbraw/zinc/74/75/52/585747552.db2.gz WQDAGQDRBRXILP-AWEZNQCLSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1O ZINC000780893312 585785843 /nfs/dbraw/zinc/78/58/43/585785843.db2.gz WCXSXCUDTVXVFN-QWHCGFSZSA-N 1 0 249.354 2.293 20 10 BECDRO OC[C@H](CC1CCC1)[NH2+]Cc1ccccc1O ZINC000793323957 586016720 /nfs/dbraw/zinc/01/67/20/586016720.db2.gz VPYREZGQEAJTPT-ZDUSSCGKSA-N 1 0 235.327 2.033 20 10 BECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000794550146 586043721 /nfs/dbraw/zinc/04/37/21/586043721.db2.gz KODRSMSYEGGOLU-OAHLLOKOSA-N 1 0 248.370 2.363 20 10 BECDRO CCCN1CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000796521491 586105730 /nfs/dbraw/zinc/10/57/30/586105730.db2.gz HNWLCPBRPSDMII-AWEZNQCLSA-N 1 0 248.370 2.356 20 10 BECDRO Cc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)c1O ZINC000843106009 586385072 /nfs/dbraw/zinc/38/50/72/586385072.db2.gz JKAZBCKAVXCBGC-OKILXGFUSA-N 1 0 246.354 2.027 20 10 BECDRO Oc1ccc(F)cc1C[NH+]1CC(C2CC2)C1 ZINC000812775214 586583897 /nfs/dbraw/zinc/58/38/97/586583897.db2.gz JHSLOANHNJZSDJ-UHFFFAOYSA-N 1 0 221.275 2.373 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000812778121 586583905 /nfs/dbraw/zinc/58/39/05/586583905.db2.gz CCECIIGKZIULOI-CYBMUJFWSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cccc(C[N@@H+]2CC[C@H](O)C2(C)C)c1O ZINC000812778176 586584079 /nfs/dbraw/zinc/58/40/79/586584079.db2.gz CKYJYVFKQBWPOZ-LBPRGKRZSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC2)c(O)c1 ZINC000815598305 586688829 /nfs/dbraw/zinc/68/88/29/586688829.db2.gz RCFMWJLHKLAGMB-ZDUSSCGKSA-N 1 0 248.370 2.365 20 10 BECDRO CCOc1ccc(C[N@H+](C)CCF)c(O)c1 ZINC000816640068 586747370 /nfs/dbraw/zinc/74/73/70/586747370.db2.gz RUBSGFQHURXQBM-UHFFFAOYSA-N 1 0 227.279 2.192 20 10 BECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648721 586751366 /nfs/dbraw/zinc/75/13/66/586751366.db2.gz OAZCILCFXPCRTH-VHSXEESVSA-N 1 0 221.300 2.241 20 10 BECDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000816649134 586751743 /nfs/dbraw/zinc/75/17/43/586751743.db2.gz URQBEHJEVSLERC-ZJUUUORDSA-N 1 0 221.300 2.241 20 10 BECDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000817289304 586793327 /nfs/dbraw/zinc/79/33/27/586793327.db2.gz WUKKNHJXYGENLJ-DOMZBBRYSA-N 1 0 248.370 2.098 20 10 BECDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2CC[NH3+] ZINC000817879836 586832367 /nfs/dbraw/zinc/83/23/67/586832367.db2.gz HAISMWYHRRQJLN-ZDUSSCGKSA-N 1 0 248.370 2.289 20 10 BECDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CC1 ZINC000817938171 586843825 /nfs/dbraw/zinc/84/38/25/586843825.db2.gz GCRGTKLUXGAXLW-ABAIWWIYSA-N 1 0 247.386 2.141 20 10 BECDRO CC[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938962 586844297 /nfs/dbraw/zinc/84/42/97/586844297.db2.gz WMNXIUHZGRAAEY-BXUZGUMPSA-N 1 0 235.375 2.141 20 10 BECDRO CC[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938964 586844497 /nfs/dbraw/zinc/84/44/97/586844497.db2.gz WMNXIUHZGRAAEY-RISCZKNCSA-N 1 0 235.375 2.141 20 10 BECDRO CC(C)[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938195 586844511 /nfs/dbraw/zinc/84/45/11/586844511.db2.gz GPPWFMCKAYWDHC-DOMZBBRYSA-N 1 0 249.402 2.387 20 10 BECDRO Cc1ccc([C@@H](C)N[C@H]2CCC[NH2+]C2)c(O)c1C ZINC000817942487 586845300 /nfs/dbraw/zinc/84/53/00/586845300.db2.gz ZRSXTPQPXWEVEH-OLZOCXBDSA-N 1 0 248.370 2.412 20 10 BECDRO Cc1ccc([C@H](C)N[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000817942426 586845305 /nfs/dbraw/zinc/84/53/05/586845305.db2.gz YMAGPWCEAFAIKJ-NWDGAFQWSA-N 1 0 234.343 2.103 20 10 BECDRO Cc1ccc([C@@H](C)NC[C@H]2CCCC[NH2+]2)c(O)c1 ZINC000817949018 586846661 /nfs/dbraw/zinc/84/66/61/586846661.db2.gz GEMRZPWHLXRPQE-CHWSQXEVSA-N 1 0 248.370 2.493 20 10 BECDRO Cc1ccc(O)c([C@H](C)NC[C@H]2CCCC[NH2+]2)c1 ZINC000817948489 586846830 /nfs/dbraw/zinc/84/68/30/586846830.db2.gz AMGQTWSNKKBPOL-QWHCGFSZSA-N 1 0 248.370 2.493 20 10 BECDRO Cc1ccc([C@H](C)NC[C@@H]2CCCC[NH2+]2)c(O)c1 ZINC000817949021 586847075 /nfs/dbraw/zinc/84/70/75/586847075.db2.gz GEMRZPWHLXRPQE-STQMWFEESA-N 1 0 248.370 2.493 20 10 BECDRO Cc1ccc([C@H](C)NC[C@H]2CCCC[NH2+]2)c(O)c1 ZINC000817949020 586847213 /nfs/dbraw/zinc/84/72/13/586847213.db2.gz GEMRZPWHLXRPQE-QWHCGFSZSA-N 1 0 248.370 2.493 20 10 BECDRO C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817951422 586847705 /nfs/dbraw/zinc/84/77/05/586847705.db2.gz FHDIWAUSZAPEIA-JGVFFNPUSA-N 1 0 244.285 2.058 20 10 BECDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000817952790 586848733 /nfs/dbraw/zinc/84/87/33/586848733.db2.gz SGEBBPOLUHUUSZ-OCCSQVGLSA-N 1 0 247.386 2.155 20 10 BECDRO CC[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C)cc1O ZINC000817952847 586849155 /nfs/dbraw/zinc/84/91/55/586849155.db2.gz VHEKDXRTSCUKBJ-JSGCOSHPSA-N 1 0 248.370 2.493 20 10 BECDRO COC[C@@H]([NH2+]CCc1ccc(N)cc1)C(C)C ZINC000817955467 586849902 /nfs/dbraw/zinc/84/99/02/586849902.db2.gz BPBQSKQFFAFMOY-CQSZACIVSA-N 1 0 236.359 2.072 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000817960630 586851790 /nfs/dbraw/zinc/85/17/90/586851790.db2.gz PAHKFXRJUZCPFB-SNVBAGLBSA-N 1 0 222.332 2.089 20 10 BECDRO CCC[NH2+]CCN[C@@H](C)c1ccccc1O ZINC000817962042 586852408 /nfs/dbraw/zinc/85/24/08/586852408.db2.gz GYSCKTYIAHQXHW-NSHDSACASA-N 1 0 222.332 2.042 20 10 BECDRO C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(N(C)C)cc1 ZINC000817961212 586852732 /nfs/dbraw/zinc/85/27/32/586852732.db2.gz VJZWNQZEVJKHQJ-NHYWBVRUSA-N 1 0 247.386 2.141 20 10 BECDRO CCC[NH2+]CCN[C@H](C)c1cc(C)ccc1O ZINC000817962762 586853286 /nfs/dbraw/zinc/85/32/86/586853286.db2.gz OQJCCSLUPLETKG-GFCCVEGCSA-N 1 0 236.359 2.351 20 10 BECDRO CCCC[C@H](CN)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817963886 586853689 /nfs/dbraw/zinc/85/36/89/586853689.db2.gz XNMQCONJVLSRLQ-OLZOCXBDSA-N 1 0 248.370 2.487 20 10 BECDRO CCCC[C@H](CN)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817963885 586854279 /nfs/dbraw/zinc/85/42/79/586854279.db2.gz XNMQCONJVLSRLQ-CHWSQXEVSA-N 1 0 248.370 2.487 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CNCC[C@H]2C)c(O)c1 ZINC000817969330 586855934 /nfs/dbraw/zinc/85/59/34/586855934.db2.gz USFUTYMVDQJJMB-MBNYWOFBSA-N 1 0 248.370 2.349 20 10 BECDRO CC[C@H]([NH2+][C@H](C)CN)c1ccc(N(C)C)cc1 ZINC000817966945 586856253 /nfs/dbraw/zinc/85/62/53/586856253.db2.gz ZZEMRYNDGZXZNT-RISCZKNCSA-N 1 0 235.375 2.141 20 10 BECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CNCC[C@H]2C)c(O)c1 ZINC000817969328 586856474 /nfs/dbraw/zinc/85/64/74/586856474.db2.gz USFUTYMVDQJJMB-DYEKYZERSA-N 1 0 248.370 2.349 20 10 BECDRO CCN(C)c1ccc([C@@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000817970988 586857354 /nfs/dbraw/zinc/85/73/54/586857354.db2.gz IWTRAHJWUNQALD-VXGBXAGGSA-N 1 0 235.375 2.141 20 10 BECDRO CCN(C)c1ccc([C@@H](C)NC[C@H](C)[NH3+])cc1 ZINC000817970986 586858361 /nfs/dbraw/zinc/85/83/61/586858361.db2.gz IWTRAHJWUNQALD-NWDGAFQWSA-N 1 0 235.375 2.141 20 10 BECDRO C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817977892 586861587 /nfs/dbraw/zinc/86/15/87/586861587.db2.gz RFHUPUJQQFPMGX-NXEZZACHSA-N 1 0 240.322 2.309 20 10 BECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000818357754 586889199 /nfs/dbraw/zinc/88/91/99/586889199.db2.gz KPMGIUNZTFOEHU-NILFDRSVSA-N 1 0 248.370 2.317 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Cl)cc1O ZINC000818357636 586889263 /nfs/dbraw/zinc/88/92/63/586889263.db2.gz CRDYMWYJYCIHSJ-AVPPRXQKSA-N 1 0 241.718 2.220 20 10 BECDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(Cl)cc1O ZINC000818362235 586889760 /nfs/dbraw/zinc/88/97/60/586889760.db2.gz SFVPVKIMUQBYDY-PSASIEDQSA-N 1 0 241.718 2.485 20 10 BECDRO CC[C@H](CO)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000824533250 587273523 /nfs/dbraw/zinc/27/35/23/587273523.db2.gz CIRJZPJDAROHFN-LLVKDONJSA-N 1 0 243.734 2.248 20 10 BECDRO Oc1ccccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824649263 587280680 /nfs/dbraw/zinc/28/06/80/587280680.db2.gz CEBFNAZYZMGJOG-GFCCVEGCSA-N 1 0 203.285 2.377 20 10 BECDRO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@H](C)O ZINC000824922267 587293465 /nfs/dbraw/zinc/29/34/65/587293465.db2.gz ZGMFHPBBSIRNHA-AAEUAGOBSA-N 1 0 237.343 2.258 20 10 BECDRO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@@H](C)O ZINC000824922268 587293588 /nfs/dbraw/zinc/29/35/88/587293588.db2.gz ZGMFHPBBSIRNHA-DGCLKSJQSA-N 1 0 237.343 2.258 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000825338846 587315764 /nfs/dbraw/zinc/31/57/64/587315764.db2.gz VLPZQNQZQIRTNE-ZDUSSCGKSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CCOC2)cc1Cl ZINC000825371431 587317492 /nfs/dbraw/zinc/31/74/92/587317492.db2.gz XIYRRNXNIKTHAV-JTQLQIEISA-N 1 0 241.718 2.233 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C1(CO)CC1 ZINC000827897932 587408317 /nfs/dbraw/zinc/40/83/17/587408317.db2.gz CDJWGHBGNGJZRN-UHFFFAOYSA-N 1 0 248.370 2.018 20 10 BECDRO OC[C@@H](CC1CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834693737 587764409 /nfs/dbraw/zinc/76/44/09/587764409.db2.gz QKNMKKIGLOBGQA-CHWSQXEVSA-N 1 0 247.338 2.130 20 10 BECDRO OC[C@@H](CC1CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834693739 587764565 /nfs/dbraw/zinc/76/45/65/587764565.db2.gz QKNMKKIGLOBGQA-OLZOCXBDSA-N 1 0 247.338 2.130 20 10 BECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)CC2 ZINC000834903740 587769812 /nfs/dbraw/zinc/76/98/12/587769812.db2.gz QKLHCAXAYIRSJP-RWMBFGLXSA-N 1 0 247.338 2.130 20 10 BECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1CO ZINC000840911633 587929252 /nfs/dbraw/zinc/92/92/52/587929252.db2.gz KWLPEQRHNFCODZ-HNNXBMFYSA-N 1 0 248.370 2.018 20 10 BECDRO Cc1cc(O)c(C[N@@H+](C)C[C@@H](C)O)c(Cl)c1 ZINC000840939542 587930782 /nfs/dbraw/zinc/93/07/82/587930782.db2.gz NMXHHRIJMSTPGR-SECBINFHSA-N 1 0 243.734 2.167 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@H](O)C(C)C ZINC000840968099 587932475 /nfs/dbraw/zinc/93/24/75/587932475.db2.gz VIWAILWOVGZRLT-TZMCWYRMSA-N 1 0 237.343 2.277 20 10 BECDRO COc1ccc(CNC[C@H]([NH3+])C(C)C)cc1C ZINC000841029297 587935975 /nfs/dbraw/zinc/93/59/75/587935975.db2.gz MHBVVNSRVXPVLY-ZDUSSCGKSA-N 1 0 236.359 2.077 20 10 BECDRO Cc1cc(N(C)C)ccc1CNC[C@@H]([NH3+])C(C)C ZINC000841029451 587936526 /nfs/dbraw/zinc/93/65/26/587936526.db2.gz HGBDBFAJNTUBSO-OAHLLOKOSA-N 1 0 249.402 2.134 20 10 BECDRO Cc1ccncc1C[NH2+]CCc1ccc(N)cc1 ZINC000841038625 587938072 /nfs/dbraw/zinc/93/80/72/587938072.db2.gz MKXKZQHSHAJEGU-UHFFFAOYSA-N 1 0 241.338 2.305 20 10 BECDRO C[C@H](C[NH3+])NCc1ccc(N2CCCCC2)cc1 ZINC000841059452 587940573 /nfs/dbraw/zinc/94/05/73/587940573.db2.gz DTZIUAAGRJNMPQ-CYBMUJFWSA-N 1 0 247.386 2.114 20 10 BECDRO CC[NH2+][C@H](C)CNCc1cc(C)c(C)cc1O ZINC000841066864 587942920 /nfs/dbraw/zinc/94/29/20/587942920.db2.gz XFFSGOFTZMYZEV-GFCCVEGCSA-N 1 0 236.359 2.097 20 10 BECDRO COc1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1C ZINC000841090326 587945983 /nfs/dbraw/zinc/94/59/83/587945983.db2.gz NZEPNXKBANVLCC-CQSZACIVSA-N 1 0 248.370 2.235 20 10 BECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c(O)c1 ZINC000841760703 587974381 /nfs/dbraw/zinc/97/43/81/587974381.db2.gz YNRDRXPOAFPBGO-GYSYKLTISA-N 1 0 235.327 2.265 20 10 BECDRO Cc1cc(C[N@H+](C)Cc2ccccc2O)n(C)n1 ZINC000841834323 587976657 /nfs/dbraw/zinc/97/66/57/587976657.db2.gz NIPLPBBJWYQSJK-UHFFFAOYSA-N 1 0 245.326 2.066 20 10 BECDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000841845829 587977276 /nfs/dbraw/zinc/97/72/76/587977276.db2.gz FSXXZTNFRXUXPC-GXTWGEPZSA-N 1 0 247.342 2.115 20 10 BECDRO CC[C@@H](C[N@H+](C)Cc1ccccc1O)OC ZINC000842153857 588004288 /nfs/dbraw/zinc/00/42/88/588004288.db2.gz RNFXWUDMSGHFFI-LBPRGKRZSA-N 1 0 223.316 2.249 20 10 BECDRO C[C@H](C[NH3+])N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000843052221 588076749 /nfs/dbraw/zinc/07/67/49/588076749.db2.gz PTRUSSXOUUWXNY-CFHLNLSMSA-N 1 0 247.386 2.045 20 10 BECDRO Cc1cc(O)c(CN2[C@H](C)C[NH2+]C[C@@H]2C)cc1C ZINC000843063381 588078762 /nfs/dbraw/zinc/07/87/62/588078762.db2.gz AILDYLDARLOLBA-BETUJISGSA-N 1 0 248.370 2.191 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846113511 588257652 /nfs/dbraw/zinc/25/76/52/588257652.db2.gz YHEZPNJHKINDIZ-PHIMTYICSA-N 1 0 239.265 2.398 20 10 BECDRO COc1cccc([C@H](C)[NH2+]CCSC)c1O ZINC000846135514 588258388 /nfs/dbraw/zinc/25/83/88/588258388.db2.gz DFRBKQXKJMAKLK-VIFPVBQESA-N 1 0 241.356 2.414 20 10 BECDRO COc1cccc([C@@H](C)[NH2+]CC2CC2)c1O ZINC000846139623 588258393 /nfs/dbraw/zinc/25/83/93/588258393.db2.gz YCVNLVAMRXWARS-SECBINFHSA-N 1 0 221.300 2.461 20 10 BECDRO CCc1cccc(C[N@H+](CC)CCCO)c1O ZINC000848887664 588417948 /nfs/dbraw/zinc/41/79/48/588417948.db2.gz BQTSDCZCGDMYFJ-UHFFFAOYSA-N 1 0 237.343 2.159 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000848902070 588418308 /nfs/dbraw/zinc/41/83/08/588418308.db2.gz JJWYVDBZCRCJIK-AAEUAGOBSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC000848904395 588418375 /nfs/dbraw/zinc/41/83/75/588418375.db2.gz SFRKEPNZZGNQCI-SMDDNHRTSA-N 1 0 249.354 2.157 20 10 BECDRO CCc1cccc(C[N@H+](C)CC2(CO)CC2)c1O ZINC000848905120 588418960 /nfs/dbraw/zinc/41/89/60/588418960.db2.gz HLJGJBRLRNXWCV-UHFFFAOYSA-N 1 0 249.354 2.159 20 10 BECDRO CCc1cccc(C[N@@H+](C)[C@@H](CC)CO)c1O ZINC000848914665 588420272 /nfs/dbraw/zinc/42/02/72/588420272.db2.gz QQQHWNSZAOEDIN-ZDUSSCGKSA-N 1 0 237.343 2.157 20 10 BECDRO CCc1cccc(C[N@H+](C[C@@H](C)O)C2CC2)c1O ZINC000848929719 588422169 /nfs/dbraw/zinc/42/21/69/588422169.db2.gz ZAARVAUHIJIYNK-LLVKDONJSA-N 1 0 249.354 2.300 20 10 BECDRO C[N@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)[NH3+] ZINC000849350865 588474992 /nfs/dbraw/zinc/47/49/92/588474992.db2.gz ZGURBGSFNFGBOB-UHFFFAOYSA-N 1 0 242.750 2.215 20 10 BECDRO CC[C@@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000850373039 588541587 /nfs/dbraw/zinc/54/15/87/588541587.db2.gz AINBQZKEHUJDOF-LLYBFZRZSA-N 1 0 248.370 2.126 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000850389051 588543426 /nfs/dbraw/zinc/54/34/26/588543426.db2.gz SLJPMYMLKRDUSK-KBPBESRZSA-N 1 0 247.338 2.094 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000850430375 588546024 /nfs/dbraw/zinc/54/60/24/588546024.db2.gz OXHFVECXJMEPJM-GFCCVEGCSA-N 1 0 243.310 2.213 20 10 BECDRO CC[C@@H]([NH2+]C/C=C\CO)c1ccc(N(C)C)cc1 ZINC000850506786 588553386 /nfs/dbraw/zinc/55/33/86/588553386.db2.gz BXGAEYSOJQYAHD-IYKSTZQJSA-N 1 0 248.370 2.342 20 10 BECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000850578807 588561727 /nfs/dbraw/zinc/56/17/27/588561727.db2.gz OJKVPOLRVQSTPS-UXIGCNINSA-N 1 0 248.370 2.317 20 10 BECDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000852558135 588690343 /nfs/dbraw/zinc/69/03/43/588690343.db2.gz HAGRFWFFCZMAJC-IUODEOHRSA-N 1 0 248.370 2.098 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000862440292 589212680 /nfs/dbraw/zinc/21/26/80/589212680.db2.gz HIKSUNRKGUXIDP-PHIMTYICSA-N 1 0 203.285 2.152 20 10 BECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862442357 589213464 /nfs/dbraw/zinc/21/34/64/589213464.db2.gz YZXSLMKCVBVNHS-BETUJISGSA-N 1 0 216.328 2.204 20 10 BECDRO Cc1cccc(C[N@@H+](C)CC2(C)COC2)c1O ZINC000862477910 589216282 /nfs/dbraw/zinc/21/62/82/589216282.db2.gz UKXCNXMIYHVYBJ-UHFFFAOYSA-N 1 0 235.327 2.169 20 10 BECDRO CN(C)c1ccc(CN2CC3(C2)CCCO3)cc1 ZINC000862483695 589216836 /nfs/dbraw/zinc/21/68/36/589216836.db2.gz RKRMUHUVMURURS-UHFFFAOYSA-N 1 0 246.354 2.117 20 10 BECDRO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1O ZINC000863545548 589297806 /nfs/dbraw/zinc/29/78/06/589297806.db2.gz UZJWVTAPQAGZCU-GRYCIOLGSA-N 1 0 234.343 2.183 20 10 BECDRO C[C@@H]1CC[C@H](N[C@@H]2CCc3cccc(O)c32)C[NH2+]1 ZINC000863548024 589298388 /nfs/dbraw/zinc/29/83/88/589298388.db2.gz UEZQIWYCOUIPHR-KGYLQXTDSA-N 1 0 246.354 2.110 20 10 BECDRO C[C@@H]1CC[C@H](N[C@H]2CCc3cccc(O)c32)C[NH2+]1 ZINC000863548030 589298456 /nfs/dbraw/zinc/29/84/56/589298456.db2.gz UEZQIWYCOUIPHR-WXHSDQCUSA-N 1 0 246.354 2.110 20 10 BECDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccccc1O ZINC000205806807 589471538 /nfs/dbraw/zinc/47/15/38/589471538.db2.gz YQDZTTHQNZENKM-WCQYABFASA-N 1 0 237.343 2.279 20 10 BECDRO C[C@H]([NH2+]CC(C)(C)CO)c1ccccc1O ZINC000122009834 589549679 /nfs/dbraw/zinc/54/96/79/589549679.db2.gz JJFGHDHCWADRCG-JTQLQIEISA-N 1 0 223.316 2.061 20 10 BECDRO CC[C@H]([NH2+]CC(C)(C)CO)c1ccccc1O ZINC000122052592 589551645 /nfs/dbraw/zinc/55/16/45/589551645.db2.gz DFEXKDBKOXAVIC-LBPRGKRZSA-N 1 0 237.343 2.451 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CC2)c(O)c1 ZINC000122315402 589578516 /nfs/dbraw/zinc/57/85/16/589578516.db2.gz RXWAAKWCBNGQJK-NSHDSACASA-N 1 0 235.327 2.124 20 10 BECDRO CCCOc1ccc(C[NH2+]C/C=C/CO)cc1C ZINC000873134587 589986011 /nfs/dbraw/zinc/98/60/11/589986011.db2.gz BNGQMLVOPNQIJD-SNAWJCMRSA-N 1 0 249.354 2.422 20 10 BECDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000124417390 589989072 /nfs/dbraw/zinc/98/90/72/589989072.db2.gz VZYXSHBFQPFAFD-OAHLLOKOSA-N 1 0 248.370 2.147 20 10 BECDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000124417201 589989184 /nfs/dbraw/zinc/98/91/84/589989184.db2.gz VZYXSHBFQPFAFD-HNNXBMFYSA-N 1 0 248.370 2.147 20 10 BECDRO Cc1cccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230656 590003004 /nfs/dbraw/zinc/00/30/04/590003004.db2.gz VNTQVJMAZRXZFD-ZFWWWQNUSA-N 1 0 246.354 2.075 20 10 BECDRO CC[C@@H]([NH2+][C@@H](C)COC)c1ccccc1O ZINC000019904907 590041106 /nfs/dbraw/zinc/04/11/06/590041106.db2.gz IBSWDDRGFXXXIS-CMPLNLGQSA-N 1 0 223.316 2.468 20 10 BECDRO CC[C@@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC000124554191 590050142 /nfs/dbraw/zinc/05/01/42/590050142.db2.gz KTAXFMYLYCOFLV-CYBMUJFWSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1ccc(C[NH+]2CCC(CCO)CC2)c(O)c1 ZINC000876563580 590216652 /nfs/dbraw/zinc/21/66/52/590216652.db2.gz AUICADAAWGCOBF-UHFFFAOYSA-N 1 0 249.354 2.295 20 10 BECDRO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c(O)c1 ZINC000876598049 590220464 /nfs/dbraw/zinc/22/04/64/590220464.db2.gz TXCARNIGCULFQG-RYUDHWBXSA-N 1 0 235.327 2.310 20 10 BECDRO CO[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876610474 590221981 /nfs/dbraw/zinc/22/19/81/590221981.db2.gz VEHHZAFETSZPMQ-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CCC([C@H](C)O)CC1 ZINC000876681150 590230020 /nfs/dbraw/zinc/23/00/20/590230020.db2.gz ZKOXFMXXDONKTH-LBPRGKRZSA-N 1 0 249.354 2.293 20 10 BECDRO COC[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876726029 590233740 /nfs/dbraw/zinc/23/37/40/590233740.db2.gz TYAABGSNJQTSFJ-GFCCVEGCSA-N 1 0 235.327 2.169 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876741112 590235261 /nfs/dbraw/zinc/23/52/61/590235261.db2.gz IVCWSFODESFBKX-TXEJJXNPSA-N 1 0 233.311 2.064 20 10 BECDRO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c(O)c1 ZINC000876739310 590235464 /nfs/dbraw/zinc/23/54/64/590235464.db2.gz OAHLZAXCTZBZJW-NWDGAFQWSA-N 1 0 235.327 2.310 20 10 BECDRO Cc1cccc(O)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000876738574 590235553 /nfs/dbraw/zinc/23/55/53/590235553.db2.gz HIWSKHXWPLDPGE-UHFFFAOYSA-N 1 0 231.299 2.056 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CCC(C)(O)CC1 ZINC000876745379 590236128 /nfs/dbraw/zinc/23/61/28/590236128.db2.gz CZEYREAMXUHBCQ-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1ccc(C[N@H+]2CCCOC[C@@H]2C)c(O)c1 ZINC000876752566 590237688 /nfs/dbraw/zinc/23/76/88/590237688.db2.gz TUTQRAOXCNKTIG-LBPRGKRZSA-N 1 0 235.327 2.311 20 10 BECDRO CCC1(O)CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876765159 590239833 /nfs/dbraw/zinc/23/98/33/590239833.db2.gz UNXJIIGCHZRYHE-UHFFFAOYSA-N 1 0 249.354 2.438 20 10 BECDRO CSCC[NH2+]Cc1c(C)cccc1O ZINC000876894008 590255252 /nfs/dbraw/zinc/25/52/52/590255252.db2.gz RTBHTZYJORYRQN-UHFFFAOYSA-N 1 0 211.330 2.153 20 10 BECDRO Cc1ccc(C[NH2+][C@H](C)Cn2cccn2)c(O)c1 ZINC000876926861 590257763 /nfs/dbraw/zinc/25/77/63/590257763.db2.gz IVSFMDZBNYMULZ-GFCCVEGCSA-N 1 0 245.326 2.075 20 10 BECDRO Cc1ccc(C[NH2+][C@H](C)Cn2ccnc2)c(O)c1 ZINC000876929691 590258221 /nfs/dbraw/zinc/25/82/21/590258221.db2.gz MECXDDBNQJJKOR-GFCCVEGCSA-N 1 0 245.326 2.075 20 10 BECDRO COC[C@@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC000876986772 590265227 /nfs/dbraw/zinc/26/52/27/590265227.db2.gz KQSWEXFIRWLBDA-NSHDSACASA-N 1 0 223.316 2.073 20 10 BECDRO CCC(O)(CC)C[NH2+]Cc1ccc(C)cc1O ZINC000876988612 590265846 /nfs/dbraw/zinc/26/58/46/590265846.db2.gz JFOVZHCYTOUQFK-UHFFFAOYSA-N 1 0 237.343 2.341 20 10 BECDRO CCN(CC[NH2+]Cc1c(C)cccc1O)C1CC1 ZINC000876995847 590266829 /nfs/dbraw/zinc/26/68/29/590266829.db2.gz KUSKAOWICURPBK-UHFFFAOYSA-N 1 0 248.370 2.275 20 10 BECDRO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c(O)c1 ZINC000877024117 590270315 /nfs/dbraw/zinc/27/03/15/590270315.db2.gz QWAFENVSSGUSMR-GFCCVEGCSA-N 1 0 248.370 2.273 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@]1(C)CCOC1 ZINC000877039122 590272968 /nfs/dbraw/zinc/27/29/68/590272968.db2.gz HSPMFYCCDOIZLY-AWEZNQCLSA-N 1 0 235.327 2.217 20 10 BECDRO Cc1cc(C[NH2+]Cc2c(C)cccc2O)[nH]n1 ZINC000877058038 590275628 /nfs/dbraw/zinc/27/56/28/590275628.db2.gz STTJTZBBUNZFSU-UHFFFAOYSA-N 1 0 231.299 2.022 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000877118643 590288382 /nfs/dbraw/zinc/28/83/82/590288382.db2.gz IPSXIUJHXPZWKF-NEPJUHHUSA-N 1 0 235.327 2.358 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000877442401 590328778 /nfs/dbraw/zinc/32/87/78/590328778.db2.gz GZFYLHAAZPTXSQ-TZMCWYRMSA-N 1 0 249.354 2.341 20 10 BECDRO CC[C@]1([NH2+]Cc2ccc(C)cc2O)CCOC1 ZINC000877473690 590335772 /nfs/dbraw/zinc/33/57/72/590335772.db2.gz PXPWTAYKBWNEBZ-AWEZNQCLSA-N 1 0 235.327 2.359 20 10 BECDRO Cc1cccc(O)c1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000877489518 590339989 /nfs/dbraw/zinc/33/99/89/590339989.db2.gz PRPZMZSHNSBGPY-LBPRGKRZSA-N 1 0 247.338 2.169 20 10 BECDRO Cc1ccc(C[NH2+]C[C@H](CO)C(C)C)c(O)c1 ZINC000877523522 590346660 /nfs/dbraw/zinc/34/66/60/590346660.db2.gz XBHRCZXUQRWSQI-CYBMUJFWSA-N 1 0 237.343 2.055 20 10 BECDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877553798 590357011 /nfs/dbraw/zinc/35/70/11/590357011.db2.gz YPRSQGUPYLJELG-AWEZNQCLSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](F)C1 ZINC000877558353 590358677 /nfs/dbraw/zinc/35/86/77/590358677.db2.gz FKMGAVZSPXZKDQ-SNVBAGLBSA-N 1 0 209.264 2.244 20 10 BECDRO Cc1ccc(C[N@@H+]2CC[C@H](F)C2)c(O)c1 ZINC000877559468 590359048 /nfs/dbraw/zinc/35/90/48/590359048.db2.gz ODKWDDWWTPWOIH-NSHDSACASA-N 1 0 209.264 2.244 20 10 BECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000877579056 590364704 /nfs/dbraw/zinc/36/47/04/590364704.db2.gz RUOOJXCYVUBFLJ-RYUDHWBXSA-N 1 0 235.327 2.358 20 10 BECDRO COCC[C@@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC000877587045 590367843 /nfs/dbraw/zinc/36/78/43/590367843.db2.gz BWDVMPXXWXQUFR-GFCCVEGCSA-N 1 0 237.343 2.463 20 10 BECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000877592314 590368942 /nfs/dbraw/zinc/36/89/42/590368942.db2.gz NMWGFLMDPJEESP-QWHCGFSZSA-N 1 0 249.354 2.341 20 10 BECDRO Cc1cccc(O)c1C[NH2+]CCCC1(O)CCC1 ZINC000877595769 590369820 /nfs/dbraw/zinc/36/98/20/590369820.db2.gz HYQCJZVCDGWIDK-UHFFFAOYSA-N 1 0 249.354 2.485 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCCN1C ZINC000877596026 590370594 /nfs/dbraw/zinc/37/05/94/590370594.db2.gz GZWZWTFXMHEJFU-ZDUSSCGKSA-N 1 0 248.370 2.227 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000877621839 590376060 /nfs/dbraw/zinc/37/60/60/590376060.db2.gz XOQVMQBITYPZOZ-LLVKDONJSA-N 1 0 235.327 2.046 20 10 BECDRO Cc1ccc(C[NH2+][C@@H](C)c2nccn2C)c(O)c1 ZINC000877639555 590381196 /nfs/dbraw/zinc/38/11/96/590381196.db2.gz BGGFFXOLSIRNPV-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO Cc1ccc(C[NH2+][C@H](C)c2nccn2C)c(O)c1 ZINC000877639554 590381895 /nfs/dbraw/zinc/38/18/95/590381895.db2.gz BGGFFXOLSIRNPV-LLVKDONJSA-N 1 0 245.326 2.285 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000877640353 590382091 /nfs/dbraw/zinc/38/20/91/590382091.db2.gz LWYXVAKGJVAYEV-WFASDCNBSA-N 1 0 249.354 2.151 20 10 BECDRO Cc1cccc(O)c1C[N@@H+](C)C1(CO)CCC1 ZINC000877641973 590382639 /nfs/dbraw/zinc/38/26/39/590382639.db2.gz NLCOEPJGILGUCO-UHFFFAOYSA-N 1 0 235.327 2.047 20 10 BECDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000877646882 590384569 /nfs/dbraw/zinc/38/45/69/590384569.db2.gz MNWQTTKHZAANSZ-WCQYABFASA-N 1 0 249.354 2.151 20 10 BECDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(C)cc1O ZINC000877666857 590389627 /nfs/dbraw/zinc/38/96/27/590389627.db2.gz IYCXZJZSEVUTHY-ZDUSSCGKSA-N 1 0 237.343 2.341 20 10 BECDRO CC[C@@]1(O)CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877691760 590392327 /nfs/dbraw/zinc/39/23/27/590392327.db2.gz VOXDXRSNMLWGON-OAHLLOKOSA-N 1 0 249.354 2.438 20 10 BECDRO CC[C@]1(O)CCC[N@H+](Cc2ccccc2O)C1 ZINC000877691113 590392716 /nfs/dbraw/zinc/39/27/16/590392716.db2.gz IXFBTZGTKMQIGO-AWEZNQCLSA-N 1 0 235.327 2.129 20 10 BECDRO Oc1cccc2c1C[N@H+](C[C@H]1CCCOC1)C2 ZINC000877703026 590396200 /nfs/dbraw/zinc/39/62/00/590396200.db2.gz OVEZEPZZKFEVRP-LLVKDONJSA-N 1 0 233.311 2.134 20 10 BECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1 ZINC000877752984 590417077 /nfs/dbraw/zinc/41/70/77/590417077.db2.gz KYLVOCHHBYJEFO-CYBMUJFWSA-N 1 0 249.354 2.293 20 10 BECDRO CCn1cncc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757961 590418109 /nfs/dbraw/zinc/41/81/09/590418109.db2.gz AVXOYHZLBHTJRD-NSHDSACASA-N 1 0 245.326 2.459 20 10 BECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(C)cc1O ZINC000877779329 590423127 /nfs/dbraw/zinc/42/31/27/590423127.db2.gz WADHNNMYHJZJNZ-WCQYABFASA-N 1 0 237.343 2.340 20 10 BECDRO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1ccccc1O ZINC000879648518 590841917 /nfs/dbraw/zinc/84/19/17/590841917.db2.gz RWTBPIRIFNLSNN-HIJJYWJESA-N 1 0 249.310 2.162 20 10 BECDRO CCC[N@H+](CCO)Cc1cc(Cl)ccc1O ZINC000128031533 590879800 /nfs/dbraw/zinc/87/98/00/590879800.db2.gz MMFONYZLLWXCOY-UHFFFAOYSA-N 1 0 243.734 2.250 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]Cc2ccn(C)n2)c(O)c1 ZINC000213127742 591448542 /nfs/dbraw/zinc/44/85/42/591448542.db2.gz XRMHQHZJPQDBKR-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO CC[C@H]([NH2+]Cc1ccn(C)n1)c1ccccc1O ZINC000213106822 591449295 /nfs/dbraw/zinc/44/92/95/591449295.db2.gz XXIKKDRYQRSDHO-ZDUSSCGKSA-N 1 0 245.326 2.367 20 10 BECDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000130773536 591519046 /nfs/dbraw/zinc/51/90/46/591519046.db2.gz UMODJNBFLNECTH-LBPRGKRZSA-N 1 0 248.370 2.318 20 10 BECDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000883360340 591630254 /nfs/dbraw/zinc/63/02/54/591630254.db2.gz APVBHZCVHMVYHM-CQSZACIVSA-N 1 0 248.370 2.193 20 10 BECDRO COC(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000135231355 591998132 /nfs/dbraw/zinc/99/81/32/591998132.db2.gz ILAJLJLRTYJBPP-UHFFFAOYSA-N 1 0 236.359 2.267 20 10 BECDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@]12CCOC2 ZINC000886065362 592142035 /nfs/dbraw/zinc/14/20/35/592142035.db2.gz SPQOCVPPIHOWJN-ZFWWWQNUSA-N 1 0 247.338 2.251 20 10 BECDRO Oc1ccccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217655105 592148518 /nfs/dbraw/zinc/14/85/18/592148518.db2.gz AWHVUWOKNHGRFW-KGLIPLIRSA-N 1 0 246.354 2.109 20 10 BECDRO CC1(C)COC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000313023439 634438707 /nfs/dbraw/zinc/43/87/07/634438707.db2.gz ORCMMXCARHFKGJ-GFCCVEGCSA-N 1 0 239.290 2.046 20 10 BECDRO COc1ccc(C[NH2+]C2CC(OC)C2)cc1C ZINC000230690237 635492724 /nfs/dbraw/zinc/49/27/24/635492724.db2.gz WRUFQVOPZILXHN-UHFFFAOYSA-N 1 0 235.327 2.271 20 10 BECDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000077423904 631322575 /nfs/dbraw/zinc/32/25/75/631322575.db2.gz VVCWZOVBGNMUGF-BDAKNGLRSA-N 1 0 243.734 2.152 20 10 BECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC2)cc1 ZINC000095015576 631584033 /nfs/dbraw/zinc/58/40/33/631584033.db2.gz JOGDJHXIPYZLTQ-AWEZNQCLSA-N 1 0 248.370 2.411 20 10 BECDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000309049790 631826131 /nfs/dbraw/zinc/82/61/31/631826131.db2.gz OXQIENBEAVZMPY-KWQFWETISA-N 1 0 209.264 2.419 20 10 BECDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000228084874 632458375 /nfs/dbraw/zinc/45/83/75/632458375.db2.gz AFWKSBLBYMPSOJ-NWDGAFQWSA-N 1 0 236.359 2.002 20 10 BECDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000309049791 632627584 /nfs/dbraw/zinc/62/75/84/632627584.db2.gz OXQIENBEAVZMPY-LDYMZIIASA-N 1 0 209.264 2.419 20 10 BECDRO Cc1ccc([C@H](C)[NH2+]Cc2cncn2C)c(O)c1 ZINC000289802941 632647780 /nfs/dbraw/zinc/64/77/80/632647780.db2.gz OBRNWYXNDKQMML-NSHDSACASA-N 1 0 245.326 2.285 20 10 BECDRO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000310115244 632701939 /nfs/dbraw/zinc/70/19/39/632701939.db2.gz CAOUWIFCOCKGKE-WCQYABFASA-N 1 0 235.327 2.033 20 10 BECDRO CC[C@@H](CCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310250070 632712057 /nfs/dbraw/zinc/71/20/57/632712057.db2.gz JZYIDGUVNLOZOC-NWDGAFQWSA-N 1 0 235.327 2.130 20 10 BECDRO CC[C@](C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310494112 632749349 /nfs/dbraw/zinc/74/93/49/632749349.db2.gz PGXIJKRQUMMQLX-RISCZKNCSA-N 1 0 235.327 2.130 20 10 BECDRO COc1cccc(C[NH2+][C@H]2CC[C@H]2C)c1O ZINC000309392376 633007880 /nfs/dbraw/zinc/00/78/80/633007880.db2.gz FOZGJPUMTQVEOE-KOLCDFICSA-N 1 0 221.300 2.289 20 10 BECDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000895438848 636143474 /nfs/dbraw/zinc/14/34/74/636143474.db2.gz NPPSWADZWTXDCB-ZIAGYGMSSA-N 1 0 249.354 2.436 20 10 BECDRO COC1(C[NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000181089579 633909108 /nfs/dbraw/zinc/90/91/08/633909108.db2.gz UHZURGXSUJNBDO-UHFFFAOYSA-N 1 0 235.327 2.359 20 10 BECDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000309496051 633929645 /nfs/dbraw/zinc/92/96/45/633929645.db2.gz YLBPQGDIDJNASS-MXWKQRLJSA-N 1 0 223.316 2.466 20 10 BECDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000183510627 633981613 /nfs/dbraw/zinc/98/16/13/633981613.db2.gz GYCQFIWHSZBRRN-MJVIPROJSA-N 1 0 237.343 2.450 20 10 BECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)CC2 ZINC000297526719 634235466 /nfs/dbraw/zinc/23/54/66/634235466.db2.gz DIEUXQYWOHSPBK-BYNQJWBRSA-N 1 0 245.322 2.289 20 10 BECDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000310138630 635197513 /nfs/dbraw/zinc/19/75/13/635197513.db2.gz BSYBGKYZNRBBLJ-WPRPVWTQSA-N 1 0 235.283 2.009 20 10 BECDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)C(C)(C)O ZINC000877552549 635740661 /nfs/dbraw/zinc/74/06/61/635740661.db2.gz QBKOQBBMSCGKOD-CYBMUJFWSA-N 1 0 237.343 2.340 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C)C2)c1 ZINC000042545442 637281714 /nfs/dbraw/zinc/28/17/14/637281714.db2.gz IOCJBDOQXNYCHL-VXGBXAGGSA-N 1 0 234.343 2.055 20 10 BECDRO CC[C@@H](CO)[NH2+]Cc1ccc(N(C)CC)cc1 ZINC000931774091 640366932 /nfs/dbraw/zinc/36/69/32/640366932.db2.gz IRHJFRKMMSAKNV-ZDUSSCGKSA-N 1 0 236.359 2.003 20 10 BECDRO Cc1cc(CNCc2ccc3c(c2)CCO3)no1 ZINC000044693241 640451086 /nfs/dbraw/zinc/45/10/86/640451086.db2.gz OZFYIEGAIKQRKI-UHFFFAOYSA-N 1 0 244.294 2.208 20 10 BECDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)CC(C)C)c1 ZINC000226647131 640787621 /nfs/dbraw/zinc/78/76/21/640787621.db2.gz ZWMSZRKXBQTTAI-CYBMUJFWSA-N 1 0 237.343 2.197 20 10 BECDRO CC(C)C[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311184262 640862845 /nfs/dbraw/zinc/86/28/45/640862845.db2.gz ZZUKPHGTZYFDHQ-QWHCGFSZSA-N 1 0 249.354 2.376 20 10 BECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cn[nH]c1 ZINC000229882141 640990265 /nfs/dbraw/zinc/99/02/65/640990265.db2.gz URFBCSRRWMEDGQ-SNVBAGLBSA-N 1 0 243.310 2.195 20 10 BECDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccccc1O ZINC000230150861 641032196 /nfs/dbraw/zinc/03/21/96/641032196.db2.gz GGKMMYVESVGHSB-GWCFXTLKSA-N 1 0 221.300 2.049 20 10 BECDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1O ZINC000230410541 641052931 /nfs/dbraw/zinc/05/29/31/641052931.db2.gz LLDKQIUDHDZUJX-VXGBXAGGSA-N 1 0 235.327 2.469 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1C ZINC000304326449 641149058 /nfs/dbraw/zinc/14/90/58/641149058.db2.gz QKPSNFSBDBCQBZ-KGLIPLIRSA-N 1 0 249.354 2.402 20 10 BECDRO Cc1ccc(O)c(C[NH2+]CCN(C)C(C)C)c1 ZINC000071409259 642456784 /nfs/dbraw/zinc/45/67/84/642456784.db2.gz WKCTXGHEWZQMMA-UHFFFAOYSA-N 1 0 236.359 2.130 20 10 BECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000305732926 642684352 /nfs/dbraw/zinc/68/43/52/642684352.db2.gz OKCGVEGGJHQNEL-OAHLLOKOSA-N 1 0 248.370 2.099 20 10 BECDRO Cc1cccc(C[N@@H+](C[C@H](C)O)C(C)C)c1O ZINC000305775778 642694076 /nfs/dbraw/zinc/69/40/76/642694076.db2.gz NXYZBYAXEPZSBC-LBPRGKRZSA-N 1 0 237.343 2.292 20 10 BECDRO C[C@H]1OCC[N@H+](Cc2ccccc2O)[C@H]1C ZINC000179575454 642725510 /nfs/dbraw/zinc/72/55/10/642725510.db2.gz GFRAFCAIAAKLRZ-WDEREUQCSA-N 1 0 221.300 2.001 20 10 BECDRO C[N@H+](Cc1ccc[nH]1)Cc1ccccc1O ZINC000180243763 642781428 /nfs/dbraw/zinc/78/14/28/642781428.db2.gz QGVCTTJJTPDIKC-UHFFFAOYSA-N 1 0 216.284 2.352 20 10 BECDRO CC[N@@H+](Cc1cc2c(cc1O)OCO2)CC1CC1 ZINC000069797316 642915243 /nfs/dbraw/zinc/91/52/43/642915243.db2.gz CBDTYXANDMEKMQ-UHFFFAOYSA-N 1 0 249.310 2.353 20 10 BECDRO C[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(N(C)C)cc1 ZINC000071301716 643128759 /nfs/dbraw/zinc/12/87/59/643128759.db2.gz JVTCQOHUZMRBJI-NHYWBVRUSA-N 1 0 248.370 2.174 20 10 BECDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000183509615 643140367 /nfs/dbraw/zinc/14/03/67/643140367.db2.gz KPNVJPJMJLQDFM-FZMZJTMJSA-N 1 0 237.343 2.450 20 10 BECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000071408937 643142648 /nfs/dbraw/zinc/14/26/48/643142648.db2.gz URGYMLUUVCMOCN-TZMCWYRMSA-N 1 0 235.327 2.358 20 10 BECDRO CCN1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000071408246 643143444 /nfs/dbraw/zinc/14/34/44/643143444.db2.gz TWUVEHPUQJXCSE-CQSZACIVSA-N 1 0 248.370 2.275 20 10 BECDRO CCCN(Cc1cc(C)ccc1O)[C@H]1CC[NH2+]C1 ZINC000071409559 643143979 /nfs/dbraw/zinc/14/39/79/643143979.db2.gz XPHCGNSSDQWXSF-AWEZNQCLSA-N 1 0 248.370 2.275 20 10 BECDRO CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000082687172 643364738 /nfs/dbraw/zinc/36/47/38/643364738.db2.gz DSPAQMUKRPATTI-GFCCVEGCSA-N 1 0 243.734 2.296 20 10 BECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000186066888 643436079 /nfs/dbraw/zinc/43/60/79/643436079.db2.gz SDDUINAVLPVMBO-OSMZGAPFSA-N 1 0 235.327 2.265 20 10 BECDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(F)ccc1O ZINC000186067959 643436389 /nfs/dbraw/zinc/43/63/89/643436389.db2.gz YZRSGAZIRQRZRX-QWRKXWFKSA-N 1 0 239.290 2.095 20 10 BECDRO COc1cccc(C[N@@H+]2C[C@H](C)[C@H]2C)c1O ZINC000816647593 643555097 /nfs/dbraw/zinc/55/50/97/643555097.db2.gz VIQPEGIBVJQPLD-VHSXEESVSA-N 1 0 221.300 2.241 20 10 BECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000049948922 643566077 /nfs/dbraw/zinc/56/60/77/643566077.db2.gz JXTFHXWDPSWNHN-HUUCEWRRSA-N 1 0 248.370 2.410 20 10 BECDRO CO[C@H](C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922039545 643851848 /nfs/dbraw/zinc/85/18/48/643851848.db2.gz PSFMKFFAVKCQEF-LLVKDONJSA-N 1 0 235.327 2.136 20 10 BECDRO C[C@@H](CF)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922144158 643871620 /nfs/dbraw/zinc/87/16/20/643871620.db2.gz FJSUKDBJJABDBD-JTQLQIEISA-N 1 0 223.291 2.459 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C)[C@H]2C)cc1C ZINC000922557878 644026310 /nfs/dbraw/zinc/02/63/10/644026310.db2.gz UZXQJJNGFBDINE-JSGCOSHPSA-N 1 0 248.370 2.191 20 10 BECDRO Cc1cc(O)c(C[NH2+][C@@H]2COC[C@H]2C)cc1C ZINC000922641786 644056370 /nfs/dbraw/zinc/05/63/70/644056370.db2.gz RESUFYWODLQUGW-DGCLKSJQSA-N 1 0 235.327 2.134 20 10 BECDRO Oc1ccccc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922721760 644076901 /nfs/dbraw/zinc/07/69/01/644076901.db2.gz CXYPECSLVXZQLN-YUTCNCBUSA-N 1 0 245.322 2.073 20 10 BECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000090721788 644602335 /nfs/dbraw/zinc/60/23/35/644602335.db2.gz CJBUMQKXUXZCJQ-TZMCWYRMSA-N 1 0 248.370 2.273 20 10 BECDRO OC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000092455764 644658321 /nfs/dbraw/zinc/65/83/21/644658321.db2.gz LRQLQFALFDCLBE-NSHDSACASA-N 1 0 241.718 2.002 20 10 BECDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCOC2)cc1 ZINC000773758462 644695674 /nfs/dbraw/zinc/69/56/74/644695674.db2.gz TXWXJSCEIPDGRG-HNNXBMFYSA-N 1 0 248.370 2.363 20 10 BECDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccccc1O ZINC000783520180 644756685 /nfs/dbraw/zinc/75/66/85/644756685.db2.gz YWDHYBNNWLKGBQ-JQWIXIFHSA-N 1 0 235.327 2.204 20 10 BECDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccccc1O ZINC000304065299 644868791 /nfs/dbraw/zinc/86/87/91/644868791.db2.gz SVJPLIPCBCATKU-BXUZGUMPSA-N 1 0 237.343 2.279 20 10 BECDRO Oc1cccc2c1[C@@H](N[C@@H]1CCCC[NH2+]C1)CC2 ZINC000817984045 644994117 /nfs/dbraw/zinc/99/41/17/644994117.db2.gz MDDCUMRJULRZKF-OLZOCXBDSA-N 1 0 246.354 2.111 20 10 BECDRO Oc1cccc2c1[C@H](N[C@H]1CCCC[NH2+]C1)CC2 ZINC000817984046 644994638 /nfs/dbraw/zinc/99/46/38/644994638.db2.gz MDDCUMRJULRZKF-QWHCGFSZSA-N 1 0 246.354 2.111 20 10 BECDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984386 644995387 /nfs/dbraw/zinc/99/53/87/644995387.db2.gz RVHRXKWUEINOOZ-RYUDHWBXSA-N 1 0 234.343 2.185 20 10 BECDRO COCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825049167 645060803 /nfs/dbraw/zinc/06/08/03/645060803.db2.gz BNMVJTLMXOZBCB-UHFFFAOYSA-N 1 0 243.734 2.480 20 10 BECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000877628825 645804936 /nfs/dbraw/zinc/80/49/36/645804936.db2.gz NDECYORMSKBRAP-JYAVWHMHSA-N 1 0 249.354 2.149 20 10 BECDRO CCC[N@H+](Cc1ccccc1O)[C@H](CC)CO ZINC000929753562 646286185 /nfs/dbraw/zinc/28/61/85/646286185.db2.gz SCLGDEWLUOTTMI-CYBMUJFWSA-N 1 0 237.343 2.375 20 10 BECDRO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1O ZINC000925784332 646480815 /nfs/dbraw/zinc/48/08/15/646480815.db2.gz MIBXABZHSQEBRC-KGYLQXTDSA-N 1 0 234.343 2.041 20 10 BECDRO C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000925786106 646482974 /nfs/dbraw/zinc/48/29/74/646482974.db2.gz NXYVIWXQPYXQIA-LALPHHSUSA-N 1 0 247.386 2.011 20 10 BECDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000160599162 711809100 /nfs/dbraw/zinc/80/91/00/711809100.db2.gz XMVSESJCQWSFSC-MRVPVSSYSA-N 1 0 243.734 2.295 20 10 BECDRO