smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cc2c(cc1C[NH2+]CCO)OCO2 ZINC000042879661 187292499 /nfs/dbraw/zinc/29/24/99/187292499.db2.gz QMRLURLTVUWVJL-UHFFFAOYSA-N 0 3 211.217 0.203 20 10 BCCDHN OC[C@H](O)CNCc1ccc2c(c1)CCO2 ZINC000083352571 183142947 /nfs/dbraw/zinc/14/29/47/183142947.db2.gz DPEINCFAHKRJNE-LLVKDONJSA-N 0 3 223.272 0.064 20 10 BCCDHN COC[C@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296568732 384190869 /nfs/dbraw/zinc/19/08/69/384190869.db2.gz UXMNTZRHXUBYLI-WDEREUQCSA-N 0 3 237.299 0.976 20 10 BCCDHN CC[N@H+](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000126386399 384795624 /nfs/dbraw/zinc/79/56/24/384795624.db2.gz IEZUIPKFXPMSOT-UHFFFAOYSA-N 0 3 238.287 0.779 20 10 BCCDHN CC[N@@H+](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000126386399 384795629 /nfs/dbraw/zinc/79/56/29/384795629.db2.gz IEZUIPKFXPMSOT-UHFFFAOYSA-N 0 3 238.287 0.779 20 10 BCCDHN COC[C@@H](CCO)[NH2+]Cc1ccccc1[O-] ZINC000164301652 384958462 /nfs/dbraw/zinc/95/84/62/384958462.db2.gz ILQIGZTXMWVUDA-LLVKDONJSA-N 0 3 225.288 0.879 20 10 BCCDHN COC[C@@H](O)CC[NH2+]Cc1ccccc1[O-] ZINC000127497275 384905670 /nfs/dbraw/zinc/90/56/70/384905670.db2.gz IMFPKADOCKJSKC-NSHDSACASA-N 0 3 225.288 0.879 20 10 BCCDHN COC[C@@H](CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000234866934 386111805 /nfs/dbraw/zinc/11/18/05/386111805.db2.gz UYYUHGDQUNJIAH-LLVKDONJSA-N 0 3 225.288 0.798 20 10 BCCDHN C[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000237446751 386378126 /nfs/dbraw/zinc/37/81/26/386378126.db2.gz XYXIFQPPCFBFEZ-SECBINFHSA-N 0 3 249.314 0.825 20 10 BCCDHN [O-]c1cc2c(cc1C[NH2+]CC1COC1)OCO2 ZINC000527817124 387737626 /nfs/dbraw/zinc/73/76/26/387737626.db2.gz KYINRRZLFVBGOE-UHFFFAOYSA-N 0 3 237.255 0.857 20 10 BCCDHN CN1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000020217551 173012415 /nfs/dbraw/zinc/01/24/15/173012415.db2.gz ZERHVMZWAMLBBO-UHFFFAOYSA-N 0 3 247.342 0.975 20 10 BCCDHN COc1ccc(O)c([C@H](C)NCC(N)=O)c1 ZINC000021962326 175159842 /nfs/dbraw/zinc/15/98/42/175159842.db2.gz BBVKDYHQOBILBH-ZETCQYMHSA-N 0 3 224.260 0.537 20 10 BCCDHN C[C@H](CO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000112017432 176693424 /nfs/dbraw/zinc/69/34/24/176693424.db2.gz AGZJLLIXIPLHSG-QMMMGPOBSA-N 0 3 239.271 0.839 20 10 BCCDHN C[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823751 176745733 /nfs/dbraw/zinc/74/57/33/176745733.db2.gz DGOUOBRFQQJMSF-QMMMGPOBSA-N 0 3 208.261 0.698 20 10 BCCDHN COCC[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000282350389 491111566 /nfs/dbraw/zinc/11/15/66/491111566.db2.gz VOOHVUMBOJPAGP-LLVKDONJSA-N 0 3 225.288 0.879 20 10 BCCDHN COc1ccc(C[NH2+][C@H](C)CO)c([O-])c1OC ZINC000892669711 582946493 /nfs/dbraw/zinc/94/64/93/582946493.db2.gz VMVKCXVAQASGGQ-MRVPVSSYSA-N 0 3 241.287 0.880 20 10 BCCDHN C[C@]1([NH2+]Cc2ccccc2[O-])CCNC1=O ZINC000897871035 584055953 /nfs/dbraw/zinc/05/59/53/584055953.db2.gz FKWQYZYTLMSZRO-LBPRGKRZSA-N 0 3 220.272 0.760 20 10 BCCDHN Cc1ccc(CNCCS(C)(=O)=O)c(O)c1 ZINC000876977499 584888401 /nfs/dbraw/zinc/88/84/01/584888401.db2.gz ZGJOVUKFEZGTHJ-UHFFFAOYSA-N 0 3 243.328 0.835 20 10 BCCDHN CN(Cc1ccccc1O)[C@@H]1CCC(=O)NC1=O ZINC000771309783 585592617 /nfs/dbraw/zinc/59/26/17/585592617.db2.gz VEBUNOYFBCCYSI-SNVBAGLBSA-N 0 3 248.282 0.629 20 10 BCCDHN COc1cccc([O-])c1C[NH2+][C@@H](C)CC(N)=O ZINC000776250803 585694067 /nfs/dbraw/zinc/69/40/67/585694067.db2.gz MHORENMPWBVXTN-QMMMGPOBSA-N 0 3 238.287 0.754 20 10 BCCDHN COC[C@H](O)C[NH2+]Cc1c([O-])cccc1OC ZINC000801732992 586270123 /nfs/dbraw/zinc/27/01/23/586270123.db2.gz IIAQDFXNYVGACL-SECBINFHSA-N 0 3 241.287 0.498 20 10 BCCDHN C[C@H](NCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817935414 586842353 /nfs/dbraw/zinc/84/23/53/586842353.db2.gz VIMCDVFQXLKPKK-ZETCQYMHSA-N 0 3 225.248 0.910 20 10 BCCDHN Nc1ccc(CCNC(=O)[C@H]2C[C@H]2N)cc1 ZINC000818545324 586899585 /nfs/dbraw/zinc/89/95/85/586899585.db2.gz YASOVEIMKAVMIJ-WDEREUQCSA-N 0 3 219.288 0.275 20 10 BCCDHN CO[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000825017897 587299108 /nfs/dbraw/zinc/29/91/08/587299108.db2.gz ZPOCZAXKYAUBDG-VXGBXAGGSA-N 0 3 223.272 0.584 20 10 BCCDHN CO[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000825017897 587299109 /nfs/dbraw/zinc/29/91/09/587299109.db2.gz ZPOCZAXKYAUBDG-VXGBXAGGSA-N 0 3 223.272 0.584 20 10 BCCDHN Nc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1 ZINC000832243995 587652211 /nfs/dbraw/zinc/65/22/11/587652211.db2.gz CYMYHMSIZZMPPZ-LLVKDONJSA-N 0 3 235.287 0.586 20 10 BCCDHN COc1ccc(CNC2=[NH+]C[C@H](C)N2)c([O-])c1 ZINC000849024890 588440152 /nfs/dbraw/zinc/44/01/52/588440152.db2.gz DQOGYNPGVDVATL-QMMMGPOBSA-N 0 3 235.287 0.838 20 10 BCCDHN COc1ccc(CNC2=[NH+]C[C@@H](C)N2)c([O-])c1 ZINC000849024889 588440173 /nfs/dbraw/zinc/44/01/73/588440173.db2.gz DQOGYNPGVDVATL-MRVPVSSYSA-N 0 3 235.287 0.838 20 10 BCCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1C[C@H](O)C1)OCO2 ZINC000850417796 588544782 /nfs/dbraw/zinc/54/47/82/588544782.db2.gz LXNVIUIITSYPEJ-KYZUINATSA-N 0 3 237.255 0.734 20 10 BCCDHN NC[C@@H]1CC(C(=O)NCc2ccccc2O)=NO1 ZINC000852883809 588711387 /nfs/dbraw/zinc/71/13/87/588711387.db2.gz OFXUIHYXVJTENX-VIFPVBQESA-N 0 3 249.270 0.112 20 10 BCCDHN COc1ccc(N2CC[C@@H](NC(=O)CN)C2)cc1 ZINC000852900703 588712333 /nfs/dbraw/zinc/71/23/33/588712333.db2.gz QAEDOUVOHSTURN-SNVBAGLBSA-N 0 3 249.314 0.349 20 10 BCCDHN C[N@H+](Cc1ccccc1[O-])[C@]1(CO)CCOC1 ZINC000862426278 589212243 /nfs/dbraw/zinc/21/22/43/589212243.db2.gz CMLMANSWYIRPKE-ZDUSSCGKSA-N 0 3 237.299 0.975 20 10 BCCDHN C[N@@H+](Cc1ccccc1[O-])[C@]1(CO)CCOC1 ZINC000862426278 589212244 /nfs/dbraw/zinc/21/22/44/589212244.db2.gz CMLMANSWYIRPKE-ZDUSSCGKSA-N 0 3 237.299 0.975 20 10 BCCDHN Cc1cccc([O-])c1C[N@H+](CCO)CCCO ZINC000876723776 590233600 /nfs/dbraw/zinc/23/36/00/590233600.db2.gz HDSLGFJJFHHFNY-UHFFFAOYSA-N 0 3 239.315 0.877 20 10 BCCDHN Cc1cccc([O-])c1C[N@@H+](CCO)CCCO ZINC000876723776 590233602 /nfs/dbraw/zinc/23/36/02/590233602.db2.gz HDSLGFJJFHHFNY-UHFFFAOYSA-N 0 3 239.315 0.877 20 10 BCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000876816346 590246053 /nfs/dbraw/zinc/24/60/53/590246053.db2.gz KIJTUJCSOISXSD-JTQLQIEISA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000876816346 590246055 /nfs/dbraw/zinc/24/60/55/590246055.db2.gz KIJTUJCSOISXSD-JTQLQIEISA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c([O-])c1 ZINC000876817064 590246107 /nfs/dbraw/zinc/24/61/07/590246107.db2.gz WUEXLUSPLCVTRR-LLVKDONJSA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c([O-])c1 ZINC000876817064 590246108 /nfs/dbraw/zinc/24/61/08/590246108.db2.gz WUEXLUSPLCVTRR-LLVKDONJSA-N 0 3 249.314 0.943 20 10 BCCDHN CNC(=O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000876987495 590265061 /nfs/dbraw/zinc/26/50/61/590265061.db2.gz YECUQCLUXJRZBO-UHFFFAOYSA-N 0 3 222.288 0.926 20 10 BCCDHN CN[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074338 590278136 /nfs/dbraw/zinc/27/81/36/590278136.db2.gz HJJRVNRZOZVNNK-QMMMGPOBSA-N 0 3 207.277 0.840 20 10 BCCDHN CN(C(=O)[C@@H]1OCC[C@@H]1N)c1ccc(N)cc1 ZINC000877074535 590278441 /nfs/dbraw/zinc/27/84/41/590278441.db2.gz NSILUUPPTUCMMC-WDEREUQCSA-N 0 3 235.287 0.348 20 10 BCCDHN CC[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877079306 590279512 /nfs/dbraw/zinc/27/95/12/590279512.db2.gz WXZYGKBIICZLRR-JTQLQIEISA-N 0 3 207.277 0.969 20 10 BCCDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])[NH+](C)C ZINC000126363848 590293451 /nfs/dbraw/zinc/29/34/51/590293451.db2.gz MAYQVGNHEVOEFY-QMMMGPOBSA-N 0 3 238.287 0.778 20 10 BCCDHN CNC(=O)C1C[NH+](Cc2c(C)cccc2[O-])C1 ZINC000877581448 590365332 /nfs/dbraw/zinc/36/53/32/590365332.db2.gz DXONEEIWJOPNMX-UHFFFAOYSA-N 0 3 234.299 0.878 20 10 BCCDHN Cc1ccc(C[NH+](CCO)CCO)c([O-])c1 ZINC000877649133 590383780 /nfs/dbraw/zinc/38/37/80/590383780.db2.gz ODPUQXMJFXZVMC-UHFFFAOYSA-N 0 3 225.288 0.487 20 10 BCCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877748710 590413557 /nfs/dbraw/zinc/41/35/57/590413557.db2.gz KIHBSBMELFBGNV-OLZOCXBDSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877748710 590413560 /nfs/dbraw/zinc/41/35/60/590413560.db2.gz KIHBSBMELFBGNV-OLZOCXBDSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc(O)c(CN2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877748710 590413561 /nfs/dbraw/zinc/41/35/61/590413561.db2.gz KIHBSBMELFBGNV-OLZOCXBDSA-N 0 3 237.299 0.628 20 10 BCCDHN N[C@@H](CC(F)F)C(=O)NCc1ccccc1O ZINC000310067448 634147692 /nfs/dbraw/zinc/14/76/92/634147692.db2.gz CCBVHYHQVZSYHN-QMMMGPOBSA-N 0 3 244.241 0.991 20 10 BCCDHN CCNC(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226618998 640779839 /nfs/dbraw/zinc/77/98/39/640779839.db2.gz NVGBXSFJZYPTMO-UHFFFAOYSA-N 0 3 226.251 0.757 20 10 BCCDHN C[C@@H](CC(N)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226615819 640779860 /nfs/dbraw/zinc/77/98/60/640779860.db2.gz PUWHTUGVNGOLGA-ZETCQYMHSA-N 0 3 226.251 0.885 20 10 BCCDHN O=C1NCCN1CC[NH2+]Cc1ccccc1[O-] ZINC000228415728 640873441 /nfs/dbraw/zinc/87/34/41/640873441.db2.gz MYTONAYYFIQPAV-UHFFFAOYSA-N 0 3 235.287 0.507 20 10 BCCDHN C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccccc1[O-] ZINC000089751454 642131571 /nfs/dbraw/zinc/13/15/71/642131571.db2.gz KVPDFJJVBRJDKX-SCZZXKLOSA-N 0 3 248.282 0.848 20 10 BCCDHN CC[C@H](N)C(=O)NCc1ccccc1O ZINC000083345385 643529982 /nfs/dbraw/zinc/52/99/82/643529982.db2.gz YLPCMXIGELJYRO-VIFPVBQESA-N 0 3 208.261 0.746 20 10 BCCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC000929752705 646283091 /nfs/dbraw/zinc/28/30/91/646283091.db2.gz DZWFQNZJQIQSOX-GFCCVEGCSA-N 0 3 239.315 0.957 20 10 BCCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC000929752705 646283093 /nfs/dbraw/zinc/28/30/93/646283093.db2.gz DZWFQNZJQIQSOX-GFCCVEGCSA-N 0 3 239.315 0.957 20 10 BCCDHN C[C@@H](O)[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000929969926 646382428 /nfs/dbraw/zinc/38/24/28/646382428.db2.gz GEXUPUKDCOKKIJ-BXKDBHETSA-N 0 3 225.288 0.566 20 10 BCCDHN C[C@@H](O)[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000929969926 646382435 /nfs/dbraw/zinc/38/24/35/646382435.db2.gz GEXUPUKDCOKKIJ-BXKDBHETSA-N 0 3 225.288 0.566 20 10 BCCDHN C[C@@H](NC(=O)[C@H](C)N)c1ccccc1O ZINC000381355146 710627268 /nfs/dbraw/zinc/62/72/68/710627268.db2.gz COWNRBXXMJMOES-JGVFFNPUSA-N 0 3 208.261 0.917 20 10 BCCDHN COc1cccc(CNCc2c[nH]nn2)c1O ZINC000398291533 711407172 /nfs/dbraw/zinc/40/71/72/711407172.db2.gz LPQNIUBGMPXTNJ-UHFFFAOYSA-N 0 3 234.259 0.809 20 10 BCCDHN CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000398531145 711411947 /nfs/dbraw/zinc/41/19/47/711411947.db2.gz XOONWQQAGBVGPA-LLVKDONJSA-N 0 3 234.299 0.960 20 10 BCCDHN CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000398531145 711411949 /nfs/dbraw/zinc/41/19/49/711411949.db2.gz XOONWQQAGBVGPA-LLVKDONJSA-N 0 3 234.299 0.960 20 10 BCCDHN [O-]c1ccccc1C[NH2+]C1COCCOC1 ZINC000380837706 710591929 /nfs/dbraw/zinc/59/19/29/710591929.db2.gz SEWWTABRDGPGFG-UHFFFAOYSA-N 0 3 223.272 0.897 20 10 BCCDHN CN1CCOC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000700243954 711989030 /nfs/dbraw/zinc/98/90/30/711989030.db2.gz NPNOEAOWBSZNLB-LBPRGKRZSA-N 0 3 236.315 0.812 20 10 BCCDHN C[C@H](O)[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000717309599 712646206 /nfs/dbraw/zinc/64/62/06/712646206.db2.gz VFCKCBQABNESJO-HOTUBEGUSA-N 0 3 225.288 0.785 20 10 BCCDHN C[C@H](CNC(=O)Cc1ccc(N)cc1)N(C)C ZINC000038089291 343370479 /nfs/dbraw/zinc/37/04/79/343370479.db2.gz DWPSCKLAUMEYAM-SNVBAGLBSA-N 0 3 235.331 0.878 20 10 BCCDHN Cc1cccc(CN(C)[C@@H]2COC[C@H]2O)c1O ZINC000289614830 179068690 /nfs/dbraw/zinc/06/86/90/179068690.db2.gz LHXJEUIJWYWJRS-VXGBXAGGSA-N 0 3 237.299 0.892 20 10 BCCDHN Cc1cccc(CN2CCOC[C@@H](O)C2)c1O ZINC000294774520 179079973 /nfs/dbraw/zinc/07/99/73/179079973.db2.gz KOLTYAHAZFJABP-LBPRGKRZSA-N 0 3 237.299 0.894 20 10 BCCDHN Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1[O-] ZINC000359973370 179083915 /nfs/dbraw/zinc/08/39/15/179083915.db2.gz KTTRTRYTIRGQTG-NWDGAFQWSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1[O-] ZINC000359973370 179083916 /nfs/dbraw/zinc/08/39/16/179083916.db2.gz KTTRTRYTIRGQTG-NWDGAFQWSA-N 0 3 237.299 0.628 20 10 BCCDHN CC(C)[C@H](N)C(=O)NCc1ccccc1O ZINC000083351928 188315743 /nfs/dbraw/zinc/31/57/43/188315743.db2.gz BAPHUBUIIRWKEM-NSHDSACASA-N 0 3 222.288 0.992 20 10 BCCDHN O=C1NC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]12 ZINC000367940010 384965834 /nfs/dbraw/zinc/96/58/34/384965834.db2.gz BIYGSUGMJMJKDB-VXGBXAGGSA-N 0 3 246.310 0.960 20 10 BCCDHN O=C1NC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]12 ZINC000367940010 384965840 /nfs/dbraw/zinc/96/58/40/384965840.db2.gz BIYGSUGMJMJKDB-VXGBXAGGSA-N 0 3 246.310 0.960 20 10 BCCDHN C[C@H](O)C[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000130729000 385278677 /nfs/dbraw/zinc/27/86/77/385278677.db2.gz JPSLZMVTTQAKJF-QMMMGPOBSA-N 0 3 239.271 0.934 20 10 BCCDHN C[C@H](O)C[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000130729000 385278686 /nfs/dbraw/zinc/27/86/86/385278686.db2.gz JPSLZMVTTQAKJF-QMMMGPOBSA-N 0 3 239.271 0.934 20 10 BCCDHN C[N@H+](CCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000281641877 385689743 /nfs/dbraw/zinc/68/97/43/385689743.db2.gz ARFHABOULRMNFP-UHFFFAOYSA-N 0 3 239.271 0.935 20 10 BCCDHN C[N@@H+](CCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000281641877 385689747 /nfs/dbraw/zinc/68/97/47/385689747.db2.gz ARFHABOULRMNFP-UHFFFAOYSA-N 0 3 239.271 0.935 20 10 BCCDHN COC[C@H](CO)NCc1ccc(N(C)C)cc1 ZINC000234792392 386102406 /nfs/dbraw/zinc/10/24/06/386102406.db2.gz ONGCGMCLTUJCEM-LBPRGKRZSA-N 0 3 238.331 0.850 20 10 BCCDHN COC[C@@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610454 386343445 /nfs/dbraw/zinc/34/34/45/386343445.db2.gz MAYWZSBDTLVMME-JTQLQIEISA-N 0 3 229.251 0.628 20 10 BCCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000187665725 387213269 /nfs/dbraw/zinc/21/32/69/387213269.db2.gz CKTSXLKYPCJSMF-QWRGUYRKSA-N 0 3 241.262 0.459 20 10 BCCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000187665725 387213273 /nfs/dbraw/zinc/21/32/73/387213273.db2.gz CKTSXLKYPCJSMF-QWRGUYRKSA-N 0 3 241.262 0.459 20 10 BCCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1COCCN1)CC2 ZINC000530227814 388635667 /nfs/dbraw/zinc/63/56/67/388635667.db2.gz VXOFUAVIZXWMOU-VXGBXAGGSA-N 0 3 248.326 0.958 20 10 BCCDHN CNC(=O)CNCc1cccc(C)c1O ZINC000162821635 173277774 /nfs/dbraw/zinc/27/77/74/173277774.db2.gz FMAHLSMPFNAOOT-UHFFFAOYSA-N 0 3 208.261 0.536 20 10 BCCDHN CNCC(=O)N(C)Cc1ccccc1O ZINC000037823767 173325354 /nfs/dbraw/zinc/32/53/54/173325354.db2.gz FUPKPBMEGSJYBW-UHFFFAOYSA-N 0 3 208.261 0.570 20 10 BCCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(N)=O)c1 ZINC000035793370 175160576 /nfs/dbraw/zinc/16/05/76/175160576.db2.gz FTODPOQUKQHEHP-JGVFFNPUSA-N 0 3 238.287 0.925 20 10 BCCDHN CN1CCN(Cc2ccccc2O)[C@H](CO)C1 ZINC000877643152 583341472 /nfs/dbraw/zinc/34/14/72/583341472.db2.gz AXUYKQPXHDAXDV-LBPRGKRZSA-N 0 3 236.315 0.501 20 10 BCCDHN COc1cccc(C[NH2+]C[C@H]2COCO2)c1[O-] ZINC000894872357 583540022 /nfs/dbraw/zinc/54/00/22/583540022.db2.gz IJKSZXZGFBXZDL-JTQLQIEISA-N 0 3 239.271 0.863 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1COCO1 ZINC000894876718 583541633 /nfs/dbraw/zinc/54/16/33/583541633.db2.gz USKVMOXBSJNWDY-JTQLQIEISA-N 0 3 227.235 0.994 20 10 BCCDHN C[C@@]1(NCc2ccc3c(c2)CCO3)CCNC1=O ZINC000897871023 584056200 /nfs/dbraw/zinc/05/62/00/584056200.db2.gz FAYDSBRWEPWANJ-CQSZACIVSA-N 0 3 246.310 0.990 20 10 BCCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCN)c1 ZINC000817934315 586843192 /nfs/dbraw/zinc/84/31/92/586843192.db2.gz HPARNXFEZMHMAK-QMMMGPOBSA-N 0 3 238.287 0.788 20 10 BCCDHN COC(=O)c1ccc([O-])c([C@H](C)NCC[NH3+])c1 ZINC000817934315 586843193 /nfs/dbraw/zinc/84/31/93/586843193.db2.gz HPARNXFEZMHMAK-QMMMGPOBSA-N 0 3 238.287 0.788 20 10 BCCDHN Cc1ccc(O)c(CN2CCOC[C@@H](O)C2)c1 ZINC000824626036 587280433 /nfs/dbraw/zinc/28/04/33/587280433.db2.gz TVGMBARXQWVFKU-LBPRGKRZSA-N 0 3 237.299 0.894 20 10 BCCDHN Cc1cccc(C[NH2+]C[C@@H]2CNCCO2)c1[O-] ZINC000841098877 587946383 /nfs/dbraw/zinc/94/63/83/587946383.db2.gz JOIADKAINMFTSD-LBPRGKRZSA-N 0 3 236.315 0.779 20 10 BCCDHN COc1cccc([O-])c1CN1CC[C@@H]([NH3+])C1 ZINC000843045521 588076060 /nfs/dbraw/zinc/07/60/60/588076060.db2.gz UGTOLOMTJZGVFT-SECBINFHSA-N 0 3 222.288 0.934 20 10 BCCDHN COc1ccc(O)c([C@H](C)NC(=O)CN)c1 ZINC000843489471 588114762 /nfs/dbraw/zinc/11/47/62/588114762.db2.gz PLACZVDKBFAHRF-ZETCQYMHSA-N 0 3 224.260 0.537 20 10 BCCDHN NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000846046578 588254574 /nfs/dbraw/zinc/25/45/74/588254574.db2.gz JFYPSFOAOKZIKA-AOOOYVTPSA-N 0 3 220.272 0.746 20 10 BCCDHN CN(CCOCC[NH3+])Cc1cccc(F)c1[O-] ZINC000863651515 589307507 /nfs/dbraw/zinc/30/75/07/589307507.db2.gz KIBKFKTTWKTAGE-UHFFFAOYSA-N 0 3 242.294 0.938 20 10 BCCDHN CN1CCN(Cc2ccccc2[O-])[C@H](C[NH3+])C1 ZINC000122445641 589591412 /nfs/dbraw/zinc/59/14/12/589591412.db2.gz KFANVXUSTAIXQL-GFCCVEGCSA-N 0 3 235.331 0.467 20 10 BCCDHN COCCN(C)C(=[NH2+])NCc1ccccc1[O-] ZINC000871603108 589773642 /nfs/dbraw/zinc/77/36/42/589773642.db2.gz FSASGPGZFREVHG-UHFFFAOYSA-N 0 3 237.303 0.995 20 10 BCCDHN CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(N)cc2)C1 ZINC000876504494 590203962 /nfs/dbraw/zinc/20/39/62/590203962.db2.gz OPSPBGYXSSABRD-AAEUAGOBSA-N 0 3 249.314 0.974 20 10 BCCDHN CO[C@H]1CN[C@](C)(C(=O)Nc2ccc(N)cc2)C1 ZINC000876504497 590204086 /nfs/dbraw/zinc/20/40/86/590204086.db2.gz OPSPBGYXSSABRD-YPMHNXCESA-N 0 3 249.314 0.974 20 10 BCCDHN CNC(=O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876987192 590265213 /nfs/dbraw/zinc/26/52/13/590265213.db2.gz SDSRNVPEQJKZDH-UHFFFAOYSA-N 0 3 222.288 0.926 20 10 BCCDHN CN(C(=O)C1=NO[C@H](CN)C1)c1ccc(N)cc1 ZINC000877074416 590278276 /nfs/dbraw/zinc/27/82/76/590278276.db2.gz JJGIISYCEALLCD-JTQLQIEISA-N 0 3 248.286 0.335 20 10 BCCDHN Cc1cccc([O-])c1C[NH2+]CCc1nnnn1C ZINC000877133346 590291118 /nfs/dbraw/zinc/29/11/18/590291118.db2.gz FTMYHOWMPGOFNC-UHFFFAOYSA-N 0 3 247.302 0.556 20 10 BCCDHN Cc1ccc(C[NH2+][C@@]2(CO)CCOC2)c([O-])c1 ZINC000877335665 590317957 /nfs/dbraw/zinc/31/79/57/590317957.db2.gz KGSSXLGCDWJUDN-CYBMUJFWSA-N 0 3 237.299 0.942 20 10 BCCDHN COC[C@H](O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877505573 590342991 /nfs/dbraw/zinc/34/29/91/590342991.db2.gz VZFFBVJAWTZXNX-SNVBAGLBSA-N 0 3 225.288 0.798 20 10 BCCDHN Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c([O-])c1 ZINC000877651289 590384900 /nfs/dbraw/zinc/38/49/00/590384900.db2.gz WAEUMNTXJNCSTL-RYUDHWBXSA-N 0 3 223.272 0.238 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877765091 590420172 /nfs/dbraw/zinc/42/01/72/590420172.db2.gz XNWGVBPJFUEJJT-TXEJJXNPSA-N 0 3 237.299 0.425 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877765091 590420173 /nfs/dbraw/zinc/42/01/73/590420173.db2.gz XNWGVBPJFUEJJT-TXEJJXNPSA-N 0 3 237.299 0.425 20 10 BCCDHN Oc1cccc2c1[C@@H](N[C@H]1CNOC1)CC2 ZINC000925866528 635569913 /nfs/dbraw/zinc/56/99/13/635569913.db2.gz MAVRSFRZEIOBBT-UWVGGRQHSA-N 0 3 220.272 0.873 20 10 BCCDHN C[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000078072924 631337489 /nfs/dbraw/zinc/33/74/89/631337489.db2.gz AGZHDXBWFLKEFA-MRVPVSSYSA-N 0 3 207.277 0.275 20 10 BCCDHN Oc1cccc2c1[C@@H](N[C@@H]1CNOC1)CC2 ZINC000925859978 635553007 /nfs/dbraw/zinc/55/30/07/635553007.db2.gz MAVRSFRZEIOBBT-ZJUUUORDSA-N 0 3 220.272 0.873 20 10 BCCDHN CN1CCNC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000911661502 639694247 /nfs/dbraw/zinc/69/42/47/639694247.db2.gz VTHRXUYYQKOUTR-LLVKDONJSA-N 0 3 234.303 0.111 20 10 BCCDHN COc1cccc(CN[C@H](C)C(N)=O)c1O ZINC000035793581 639947718 /nfs/dbraw/zinc/94/77/18/639947718.db2.gz WJYKSLOJDYFBRQ-SSDOTTSWSA-N 0 3 224.260 0.364 20 10 BCCDHN Cc1cccc(CNC2(C(N)=O)CC2)c1O ZINC000191481079 641922612 /nfs/dbraw/zinc/92/26/12/641922612.db2.gz HDKGHNGHSIEMTP-UHFFFAOYSA-N 0 3 220.272 0.808 20 10 BCCDHN CN(Cc1cc(F)ccc1[O-])C1C[NH2+]C1 ZINC000234281593 642332142 /nfs/dbraw/zinc/33/21/42/642332142.db2.gz XAEUBJIQVJFTRR-UHFFFAOYSA-N 0 3 210.252 0.935 20 10 BCCDHN C[C@@H](O)[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000929969931 646382640 /nfs/dbraw/zinc/38/26/40/646382640.db2.gz GEXUPUKDCOKKIJ-SKDRFNHKSA-N 0 3 225.288 0.566 20 10 BCCDHN C[C@@H](O)[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000929969931 646382647 /nfs/dbraw/zinc/38/26/47/646382647.db2.gz GEXUPUKDCOKKIJ-SKDRFNHKSA-N 0 3 225.288 0.566 20 10 BCCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CNOC2)c1 ZINC000925862500 646515415 /nfs/dbraw/zinc/51/54/15/646515415.db2.gz RVAUXVRSLNENHB-DTWKUNHWSA-N 0 3 238.287 0.955 20 10 BCCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000706791650 712155814 /nfs/dbraw/zinc/15/58/14/712155814.db2.gz VAAINFVVPIBGSM-ZYHUDNBSSA-N 0 3 223.272 0.632 20 10 BCCDHN C[C@@H](O)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000717309601 712646226 /nfs/dbraw/zinc/64/62/26/712646226.db2.gz VFCKCBQABNESJO-SBMIAAHKSA-N 0 3 225.288 0.785 20 10 BCCDHN CNC(=O)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000044988260 343520670 /nfs/dbraw/zinc/52/06/70/343520670.db2.gz LNDWGBUYBQPENA-UHFFFAOYSA-N 0 3 238.287 0.627 20 10 BCCDHN NC1(C(=O)NCc2ccccc2O)CC1 ZINC000083344644 181328156 /nfs/dbraw/zinc/32/81/56/181328156.db2.gz CPDXIQCULBPCTD-UHFFFAOYSA-N 0 3 206.245 0.500 20 10 BCCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1C[C@@H](O)C1)OCO2 ZINC000294834229 183261655 /nfs/dbraw/zinc/26/16/55/183261655.db2.gz LXNVIUIITSYPEJ-DTORHVGOSA-N 0 3 237.255 0.734 20 10 BCCDHN [O-]c1ccccc1C[NH2+]C[C@H]1COCCO1 ZINC000038060167 183303493 /nfs/dbraw/zinc/30/34/93/183303493.db2.gz UOKKJZJXGMAZSS-NSHDSACASA-N 0 3 223.272 0.897 20 10 BCCDHN [O-]c1ccccc1C[NH2+]C[C@]1(O)CCOC1 ZINC000126186053 183304055 /nfs/dbraw/zinc/30/40/55/183304055.db2.gz WJFPPAUFABZUPQ-GFCCVEGCSA-N 0 3 223.272 0.633 20 10 BCCDHN C[C@@H](CO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000112017435 383887862 /nfs/dbraw/zinc/88/78/62/383887862.db2.gz AGZJLLIXIPLHSG-MRVPVSSYSA-N 0 3 239.271 0.839 20 10 BCCDHN COC[C@H](O)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000071268433 384159576 /nfs/dbraw/zinc/15/95/76/384159576.db2.gz YXGSAGPIJCBVPH-SNVBAGLBSA-N 0 3 241.287 0.498 20 10 BCCDHN CCN(C)C(=O)C[NH2+]Cc1ccccc1[O-] ZINC000162955138 384708049 /nfs/dbraw/zinc/70/80/49/384708049.db2.gz CYBXZCUMSVVVCX-UHFFFAOYSA-N 0 3 222.288 0.960 20 10 BCCDHN CC(C)[C@@H](N)C(=O)NCc1ccccc1O ZINC000145825244 384781539 /nfs/dbraw/zinc/78/15/39/384781539.db2.gz BAPHUBUIIRWKEM-LLVKDONJSA-N 0 3 222.288 0.992 20 10 BCCDHN C[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000083884429 384807834 /nfs/dbraw/zinc/80/78/34/384807834.db2.gz FJFONWHHKCAVNL-QMMMGPOBSA-N 0 3 239.294 0.855 20 10 BCCDHN O=C1NCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226588165 386337140 /nfs/dbraw/zinc/33/71/40/386337140.db2.gz JLBFSUJPMJAUIJ-JTQLQIEISA-N 0 3 238.262 0.900 20 10 BCCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000359975640 387791489 /nfs/dbraw/zinc/79/14/89/387791489.db2.gz RGQHSMHCXLASKB-NWDGAFQWSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000359975640 387791492 /nfs/dbraw/zinc/79/14/92/387791492.db2.gz RGQHSMHCXLASKB-NWDGAFQWSA-N 0 3 237.299 0.628 20 10 BCCDHN CN1CCN(C)[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000225322029 173076352 /nfs/dbraw/zinc/07/63/52/173076352.db2.gz RGOPXECFBGNPRH-ZDUSSCGKSA-N 0 3 249.358 0.728 20 10 BCCDHN CNCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037495176 173324945 /nfs/dbraw/zinc/32/49/45/173324945.db2.gz OHCXUSJZSKWGBA-UHFFFAOYSA-N 0 3 235.331 0.930 20 10 BCCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(N)=O)c1 ZINC000035793366 175160745 /nfs/dbraw/zinc/16/07/45/175160745.db2.gz FTODPOQUKQHEHP-SFYZADRCSA-N 0 3 238.287 0.925 20 10 BCCDHN COc1cccc(C[NH2+]CCCO)c1[O-] ZINC000020187974 175264621 /nfs/dbraw/zinc/26/46/21/175264621.db2.gz KWBMGAPAKLYVQE-UHFFFAOYSA-N 0 3 211.261 0.873 20 10 BCCDHN COc1ccc(C[NH2+]C[C@H](C)O)c([O-])c1OC ZINC000893226504 583075096 /nfs/dbraw/zinc/07/50/96/583075096.db2.gz SCSZAAMANWRIEZ-QMMMGPOBSA-N 0 3 241.287 0.880 20 10 BCCDHN COc1cccc(C[NH2+]C[C@@H]2COCO2)c1[O-] ZINC000894872358 583540597 /nfs/dbraw/zinc/54/05/97/583540597.db2.gz IJKSZXZGFBXZDL-SNVBAGLBSA-N 0 3 239.271 0.863 20 10 BCCDHN CON(C)C(=O)CNCc1c(C)cccc1O ZINC000895046713 583572479 /nfs/dbraw/zinc/57/24/79/583572479.db2.gz RCYTZIKFBLKUQM-UHFFFAOYSA-N 0 3 238.287 0.810 20 10 BCCDHN COc1cccc(CN2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895646601 583698763 /nfs/dbraw/zinc/69/87/63/583698763.db2.gz HMTRTCYLDOLDOA-GWCFXTLKSA-N 0 3 235.283 0.967 20 10 BCCDHN Oc1cc2c(cc1CN1C[C@H]3C[C@@]3(O)C1)OCO2 ZINC000895645217 583700836 /nfs/dbraw/zinc/70/08/36/583700836.db2.gz AGHPTORNQLHDNP-NOZJJQNGSA-N 0 3 249.266 0.688 20 10 BCCDHN COc1ccc(O)c(CN2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895651905 583703396 /nfs/dbraw/zinc/70/33/96/583703396.db2.gz DFTJMMXXIJXDQA-GWCFXTLKSA-N 0 3 235.283 0.967 20 10 BCCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895651905 583703398 /nfs/dbraw/zinc/70/33/98/583703398.db2.gz DFTJMMXXIJXDQA-GWCFXTLKSA-N 0 3 235.283 0.967 20 10 BCCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895651905 583703400 /nfs/dbraw/zinc/70/34/00/583703400.db2.gz DFTJMMXXIJXDQA-GWCFXTLKSA-N 0 3 235.283 0.967 20 10 BCCDHN CCOc1cccc(CN[C@H]2CNOC2)c1O ZINC000904426782 584881438 /nfs/dbraw/zinc/88/14/38/584881438.db2.gz IOSIRZRTOBNMJE-JTQLQIEISA-N 0 3 238.287 0.784 20 10 BCCDHN CCOc1ccc(CN[C@@H]2CNOC2)c(O)c1 ZINC000904421680 584881951 /nfs/dbraw/zinc/88/19/51/584881951.db2.gz NTVDCBQDFMTIOP-SNVBAGLBSA-N 0 3 238.287 0.784 20 10 BCCDHN CCOc1ccc(O)c(CN[C@@H]2CNOC2)c1 ZINC000904421588 584882330 /nfs/dbraw/zinc/88/23/30/584882330.db2.gz KFLUWNGEZZLACZ-SNVBAGLBSA-N 0 3 238.287 0.784 20 10 BCCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](O)C1 ZINC000768410531 585538199 /nfs/dbraw/zinc/53/81/99/585538199.db2.gz YGRSYBYBFUSBDW-VIFPVBQESA-N 0 3 223.272 0.967 20 10 BCCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](O)C1 ZINC000768410531 585538200 /nfs/dbraw/zinc/53/82/00/585538200.db2.gz YGRSYBYBFUSBDW-VIFPVBQESA-N 0 3 223.272 0.967 20 10 BCCDHN CC1(C)CN[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000818545021 586899414 /nfs/dbraw/zinc/89/94/14/586899414.db2.gz AXYKYGKDJAQCBO-GFCCVEGCSA-N 0 3 247.342 0.926 20 10 BCCDHN Nc1ccc(NC(=O)CCOC2CNC2)cc1 ZINC000818556292 586900282 /nfs/dbraw/zinc/90/02/82/586900282.db2.gz JARFPAWEYJBICZ-UHFFFAOYSA-N 0 3 235.287 0.586 20 10 BCCDHN CC[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000832659210 587675116 /nfs/dbraw/zinc/67/51/16/587675116.db2.gz TUWMCUGGIVBLGJ-LLVKDONJSA-N 0 3 221.304 0.665 20 10 BCCDHN [O-]c1c(F)cccc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077404 587944551 /nfs/dbraw/zinc/94/45/51/587944551.db2.gz KSSHUPHCMRPZDK-JZYVYDRUSA-N 0 3 222.263 0.839 20 10 BCCDHN CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)C[NH3+] ZINC000841093039 587946445 /nfs/dbraw/zinc/94/64/45/587946445.db2.gz PTZCJNANZXZFGE-SNVBAGLBSA-N 0 3 244.722 0.797 20 10 BCCDHN CN(Cc1c([O-])cccc1Cl)C[C@@H](O)C[NH3+] ZINC000841093811 587946607 /nfs/dbraw/zinc/94/66/07/587946607.db2.gz ULGYRBUTCNKQBE-QMMMGPOBSA-N 0 3 244.722 0.797 20 10 BCCDHN COc1cccc([O-])c1CN1CC[C@H]([NH3+])C1 ZINC000843047403 588076155 /nfs/dbraw/zinc/07/61/55/588076155.db2.gz UGTOLOMTJZGVFT-VIFPVBQESA-N 0 3 222.288 0.934 20 10 BCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000876816463 590245899 /nfs/dbraw/zinc/24/58/99/590245899.db2.gz KIJTUJCSOISXSD-SNVBAGLBSA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000876816463 590245901 /nfs/dbraw/zinc/24/59/01/590245901.db2.gz KIJTUJCSOISXSD-SNVBAGLBSA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c([O-])c1 ZINC000877420517 590325570 /nfs/dbraw/zinc/32/55/70/590325570.db2.gz WIWFXQBOXDYCSL-RYUDHWBXSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c([O-])c1 ZINC000877420517 590325572 /nfs/dbraw/zinc/32/55/72/590325572.db2.gz WIWFXQBOXDYCSL-RYUDHWBXSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1[O-] ZINC000877749110 590412964 /nfs/dbraw/zinc/41/29/64/590412964.db2.gz FYMKSPWYTVSUIP-NEPJUHHUSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1[O-] ZINC000877749110 590412967 /nfs/dbraw/zinc/41/29/67/590412967.db2.gz FYMKSPWYTVSUIP-NEPJUHHUSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc(CN2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749110 590412970 /nfs/dbraw/zinc/41/29/70/590412970.db2.gz FYMKSPWYTVSUIP-NEPJUHHUSA-N 0 3 237.299 0.628 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748446 590413694 /nfs/dbraw/zinc/41/36/94/590413694.db2.gz BPZDLUCNBQXRIH-NEPJUHHUSA-N 0 3 223.272 0.320 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748446 590413697 /nfs/dbraw/zinc/41/36/97/590413697.db2.gz BPZDLUCNBQXRIH-NEPJUHHUSA-N 0 3 223.272 0.320 20 10 BCCDHN C[C@@H]([NH3+])[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000132618753 591724747 /nfs/dbraw/zinc/72/47/47/591724747.db2.gz ZPYPLVJVYUBNJH-MFKMUULPSA-N 0 3 236.315 0.940 20 10 BCCDHN C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccccc1[O-] ZINC000134824020 591952805 /nfs/dbraw/zinc/95/28/05/591952805.db2.gz SSZFNQZJVFACKN-UISBYWKRSA-N 0 3 223.272 0.803 20 10 BCCDHN O[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC000886255948 592188039 /nfs/dbraw/zinc/18/80/39/592188039.db2.gz QKGJLWIBXDAWKV-CLLJXQQHSA-N 0 3 249.310 0.595 20 10 BCCDHN COc1ccc(O)c([C@H](C)N[C@H]2CNOC2)c1 ZINC000925869887 635579763 /nfs/dbraw/zinc/57/97/63/635579763.db2.gz RVAUXVRSLNENHB-IUCAKERBSA-N 0 3 238.287 0.955 20 10 BCCDHN NC(=O)[C@H]1CCCN1Cc1ccccc1O ZINC000179558427 632743563 /nfs/dbraw/zinc/74/35/63/632743563.db2.gz WQEIMZRYXXGZBJ-SNVBAGLBSA-N 0 3 220.272 0.842 20 10 BCCDHN C[C@H](N[C@H]1CNOC1)c1ccccc1O ZINC000925870556 635583215 /nfs/dbraw/zinc/58/32/15/635583215.db2.gz GHCCRKCBNZBWDW-IUCAKERBSA-N 0 3 208.261 0.946 20 10 BCCDHN C[C@H]([NH2+][C@H]1CNOC1)c1ccccc1[O-] ZINC000925870556 635583221 /nfs/dbraw/zinc/58/32/21/635583221.db2.gz GHCCRKCBNZBWDW-IUCAKERBSA-N 0 3 208.261 0.946 20 10 BCCDHN COc1ccc(CN[C@@H]2COC[C@@H]2O)cc1C ZINC000323561993 637094552 /nfs/dbraw/zinc/09/45/52/637094552.db2.gz QUQSODGRGTYFOX-NEPJUHHUSA-N 0 3 237.299 0.853 20 10 BCCDHN NOCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000904458186 637421196 /nfs/dbraw/zinc/42/11/96/637421196.db2.gz UXTJYFSZWUZPGK-UHFFFAOYSA-N 0 3 214.240 0.901 20 10 BCCDHN CC[C@H](N)C(=O)NCc1ccc(OC)cc1O ZINC000083365742 643442107 /nfs/dbraw/zinc/44/21/07/643442107.db2.gz OYYYWGNZTPGXAI-JTQLQIEISA-N 0 3 238.287 0.754 20 10 BCCDHN O=C1NCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000050395413 643697681 /nfs/dbraw/zinc/69/76/81/643697681.db2.gz UKZZTCCHAMOAQK-LBPRGKRZSA-N 0 3 246.310 0.990 20 10 BCCDHN C[C@@H]([NH2+]C[C@H](O)CO)c1ccccc1[O-] ZINC000085246038 643698757 /nfs/dbraw/zinc/69/87/57/643698757.db2.gz YYKTVORTIFKDIU-BDAKNGLRSA-N 0 3 211.261 0.396 20 10 BCCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CNCCO1)CC2 ZINC000817983595 644993857 /nfs/dbraw/zinc/99/38/57/644993857.db2.gz OMTWGRLFIQZBRJ-NWDGAFQWSA-N 0 3 248.326 0.958 20 10 BCCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CNOC2)c1 ZINC000925862501 646514603 /nfs/dbraw/zinc/51/46/03/646514603.db2.gz RVAUXVRSLNENHB-RKDXNWHRSA-N 0 3 238.287 0.955 20 10 BCCDHN CON(C)C(=O)CNCc1cc(F)ccc1O ZINC000397521814 711385425 /nfs/dbraw/zinc/38/54/25/711385425.db2.gz FCHNFJKFDTWCGA-UHFFFAOYSA-N 0 3 242.250 0.641 20 10 BCCDHN CON(C)C(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000397521814 711385428 /nfs/dbraw/zinc/38/54/28/711385428.db2.gz FCHNFJKFDTWCGA-UHFFFAOYSA-N 0 3 242.250 0.641 20 10 BCCDHN NC(C(=O)NCc1ccccc1O)C(F)(F)F ZINC000705242194 712126429 /nfs/dbraw/zinc/12/64/29/712126429.db2.gz AHNZSVCXOLTFSD-MRVPVSSYSA-N 0 3 248.204 0.898 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000706720983 712153240 /nfs/dbraw/zinc/15/32/40/712153240.db2.gz FRGFZXDJMAVTKE-ZYHUDNBSSA-N 0 3 241.262 0.771 20 10 BCCDHN NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000271259936 181260365 /nfs/dbraw/zinc/26/03/65/181260365.db2.gz IDWWYHQLIPHPGZ-SNVBAGLBSA-N 0 3 235.287 0.635 20 10 BCCDHN NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000271259936 181260370 /nfs/dbraw/zinc/26/03/70/181260370.db2.gz IDWWYHQLIPHPGZ-SNVBAGLBSA-N 0 3 235.287 0.635 20 10 BCCDHN NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000183293783 181270779 /nfs/dbraw/zinc/27/07/79/181270779.db2.gz WFWJKAIVAOGUBP-SNVBAGLBSA-N 0 3 220.272 0.699 20 10 BCCDHN NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000183293783 181270781 /nfs/dbraw/zinc/27/07/81/181270781.db2.gz WFWJKAIVAOGUBP-SNVBAGLBSA-N 0 3 220.272 0.699 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+][C@]1(CO)CCOC1 ZINC000184189589 183134023 /nfs/dbraw/zinc/13/40/23/183134023.db2.gz VKGNVSAQSSHIGF-LBPRGKRZSA-N 0 3 241.262 0.772 20 10 BCCDHN O[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000295715798 183209669 /nfs/dbraw/zinc/20/96/69/183209669.db2.gz UXYKPZYIIBVNNW-VXGBXAGGSA-N 0 3 235.283 0.471 20 10 BCCDHN CCN(CCO)CC[NH2+]Cc1ccccc1[O-] ZINC000184550421 384619734 /nfs/dbraw/zinc/61/97/34/384619734.db2.gz TYPPDYRASYGUTR-UHFFFAOYSA-N 0 3 238.331 0.796 20 10 BCCDHN COC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000127935425 384969565 /nfs/dbraw/zinc/96/95/65/384969565.db2.gz MVXBYZQJUSBSQW-LLVKDONJSA-N 0 3 225.288 0.831 20 10 BCCDHN COC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000127935425 384969572 /nfs/dbraw/zinc/96/95/72/384969572.db2.gz MVXBYZQJUSBSQW-LLVKDONJSA-N 0 3 225.288 0.831 20 10 BCCDHN C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccccc1[O-] ZINC000252824908 385661055 /nfs/dbraw/zinc/66/10/55/385661055.db2.gz SSZFNQZJVFACKN-MKPLZMMCSA-N 0 3 223.272 0.803 20 10 BCCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000271233791 385807924 /nfs/dbraw/zinc/80/79/24/385807924.db2.gz AJYWWPGTFHWFJD-LLVKDONJSA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000271233791 385807927 /nfs/dbraw/zinc/80/79/27/385807927.db2.gz AJYWWPGTFHWFJD-LLVKDONJSA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1ccc(O)c(CN2CC[C@@H](NC(N)=O)C2)c1 ZINC000271233791 385807929 /nfs/dbraw/zinc/80/79/29/385807929.db2.gz AJYWWPGTFHWFJD-LLVKDONJSA-N 0 3 249.314 0.943 20 10 BCCDHN C[N@H+](CCC(N)=O)Cc1cc(F)ccc1[O-] ZINC000289963140 385796779 /nfs/dbraw/zinc/79/67/79/385796779.db2.gz ZCZOLPSIYXHJHW-UHFFFAOYSA-N 0 3 226.251 0.839 20 10 BCCDHN C[N@@H+](CCC(N)=O)Cc1cc(F)ccc1[O-] ZINC000289963140 385796787 /nfs/dbraw/zinc/79/67/87/385796787.db2.gz ZCZOLPSIYXHJHW-UHFFFAOYSA-N 0 3 226.251 0.839 20 10 BCCDHN COC[C@@H](CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000234872322 386112340 /nfs/dbraw/zinc/11/23/40/386112340.db2.gz DCTQHWBWQZPYQN-LLVKDONJSA-N 0 3 225.288 0.798 20 10 BCCDHN CS(=O)(=O)CCC[NH2+]Cc1ccccc1[O-] ZINC000038047078 386120183 /nfs/dbraw/zinc/12/01/83/386120183.db2.gz MORZVSUHYGCCRP-UHFFFAOYSA-N 0 3 243.328 0.917 20 10 BCCDHN COC[C@H](CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000234786543 386099097 /nfs/dbraw/zinc/09/90/97/386099097.db2.gz UYYUHGDQUNJIAH-NSHDSACASA-N 0 3 225.288 0.798 20 10 BCCDHN C[C@H](CO)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000289498092 386317285 /nfs/dbraw/zinc/31/72/85/386317285.db2.gz SOHCMKHHCKUILH-MRVPVSSYSA-N 0 3 239.271 0.934 20 10 BCCDHN C[C@H](CO)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000289498092 386317286 /nfs/dbraw/zinc/31/72/86/386317286.db2.gz SOHCMKHHCKUILH-MRVPVSSYSA-N 0 3 239.271 0.934 20 10 BCCDHN CN(Cc1cc(F)ccc1O)[C@@H]1COC[C@H]1O ZINC000289614973 386334313 /nfs/dbraw/zinc/33/43/13/386334313.db2.gz LJZDNRGNHFWQGK-ZYHUDNBSSA-N 0 3 241.262 0.723 20 10 BCCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000359975641 387791435 /nfs/dbraw/zinc/79/14/35/387791435.db2.gz RGQHSMHCXLASKB-VXGBXAGGSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000359975641 387791439 /nfs/dbraw/zinc/79/14/39/387791439.db2.gz RGQHSMHCXLASKB-VXGBXAGGSA-N 0 3 237.299 0.628 20 10 BCCDHN COC[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000234796600 388359584 /nfs/dbraw/zinc/35/95/84/388359584.db2.gz BTWMXGDRSYLYFL-JTQLQIEISA-N 0 3 211.261 0.489 20 10 BCCDHN CNC(=O)C1CN(Cc2cccc(C)c2O)C1 ZINC000297444726 173226993 /nfs/dbraw/zinc/22/69/93/173226993.db2.gz PVLHMQQAVTWITM-UHFFFAOYSA-N 0 3 234.299 0.878 20 10 BCCDHN CNC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000111235081 173250361 /nfs/dbraw/zinc/25/03/61/173250361.db2.gz RSIBYAUXRXZZNB-UHFFFAOYSA-N 0 3 222.288 0.960 20 10 BCCDHN CNC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000111235081 173250362 /nfs/dbraw/zinc/25/03/62/173250362.db2.gz RSIBYAUXRXZZNB-UHFFFAOYSA-N 0 3 222.288 0.960 20 10 BCCDHN Cc1ccc(O)c(CN2CCOC3(CNC3)C2)c1 ZINC000853250008 588729448 /nfs/dbraw/zinc/72/94/48/588729448.db2.gz XVGVAKPRGGKKHX-UHFFFAOYSA-N 0 3 248.326 0.875 20 10 BCCDHN COc1cc(C)cc(CN[C@H](C)C(N)=O)c1O ZINC000894576454 583487497 /nfs/dbraw/zinc/48/74/97/583487497.db2.gz UEEYBEUTVBKHFP-MRVPVSSYSA-N 0 3 238.287 0.673 20 10 BCCDHN Cc1ccc(C[NH2+]CCc2nnnn2C)c([O-])c1 ZINC000877133743 584890928 /nfs/dbraw/zinc/89/09/28/584890928.db2.gz NTJVKLQYWVHVFI-UHFFFAOYSA-N 0 3 247.302 0.556 20 10 BCCDHN COc1cccc([O-])c1C[NH2+][C@H](C)CC(N)=O ZINC000776250797 585694062 /nfs/dbraw/zinc/69/40/62/585694062.db2.gz MHORENMPWBVXTN-MRVPVSSYSA-N 0 3 238.287 0.754 20 10 BCCDHN CN[C@@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000848429874 588383752 /nfs/dbraw/zinc/38/37/52/588383752.db2.gz XAUNNRDTVJKYMA-QMMMGPOBSA-N 0 3 238.287 0.625 20 10 BCCDHN COc1ccc(CNC(=[NH2+])N(C)C)c([O-])c1 ZINC000849025314 588440244 /nfs/dbraw/zinc/44/02/44/588440244.db2.gz YYFAVLGAVCHXAW-UHFFFAOYSA-N 0 3 223.276 0.987 20 10 BCCDHN COc1ccc(CNC2=[NH+]CCCN2)c([O-])c1 ZINC000849214675 588461821 /nfs/dbraw/zinc/46/18/21/588461821.db2.gz DMJPURWRHGBCIU-UHFFFAOYSA-N 0 3 235.287 0.840 20 10 BCCDHN C[N@H+](Cc1ccccc1[O-])[C@@]1(CO)CCOC1 ZINC000862426277 589212515 /nfs/dbraw/zinc/21/25/15/589212515.db2.gz CMLMANSWYIRPKE-CYBMUJFWSA-N 0 3 237.299 0.975 20 10 BCCDHN C[N@@H+](Cc1ccccc1[O-])[C@@]1(CO)CCOC1 ZINC000862426277 589212516 /nfs/dbraw/zinc/21/25/16/589212516.db2.gz CMLMANSWYIRPKE-CYBMUJFWSA-N 0 3 237.299 0.975 20 10 BCCDHN Nc1ccc(CCNC(=O)[C@H]2OCC[C@H]2N)cc1 ZINC000876527522 590208865 /nfs/dbraw/zinc/20/88/65/590208865.db2.gz ABXOSENKVJIZEP-NEPJUHHUSA-N 0 3 249.314 0.044 20 10 BCCDHN CO[C@@H](CN)C(=O)N(C)c1ccc(N)cc1 ZINC000884441802 591935547 /nfs/dbraw/zinc/93/55/47/591935547.db2.gz PZMQOPGSCFJKAY-JTQLQIEISA-N 0 3 223.276 0.205 20 10 BCCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CNOC2)c1 ZINC000925869886 635581966 /nfs/dbraw/zinc/58/19/66/635581966.db2.gz RVAUXVRSLNENHB-BDAKNGLRSA-N 0 3 238.287 0.955 20 10 BCCDHN CN(C)c1ccc(CN[C@@H]2COC[C@@H]2O)cc1 ZINC000323485510 636988835 /nfs/dbraw/zinc/98/88/35/636988835.db2.gz AVUKFYQXKZATGK-OLZOCXBDSA-N 0 3 236.315 0.602 20 10 BCCDHN CN1CCNC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000911661503 639695021 /nfs/dbraw/zinc/69/50/21/639695021.db2.gz VTHRXUYYQKOUTR-NSHDSACASA-N 0 3 234.303 0.111 20 10 BCCDHN COc1ccc(O)c(CN[C@H](C)C(N)=O)c1 ZINC000035792589 639947918 /nfs/dbraw/zinc/94/79/18/639947918.db2.gz ATRSJGOSZOFDBY-SSDOTTSWSA-N 0 3 224.260 0.364 20 10 BCCDHN COc1cccc(CNC2(C(N)=O)CC2)c1O ZINC000191487485 641924564 /nfs/dbraw/zinc/92/45/64/641924564.db2.gz SYVOFAWHLYIBDQ-UHFFFAOYSA-N 0 3 236.271 0.508 20 10 BCCDHN COc1cccc(O)c1CN(C)CCO ZINC000768138527 643457382 /nfs/dbraw/zinc/45/73/82/643457382.db2.gz YEQWFUZEHAISND-UHFFFAOYSA-N 0 3 211.261 0.825 20 10 BCCDHN O[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000922163684 643885917 /nfs/dbraw/zinc/88/59/17/643885917.db2.gz SEGFWXVCDBHRBG-CHWSQXEVSA-N 0 3 249.310 0.861 20 10 BCCDHN COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1[O-] ZINC000846048152 645393865 /nfs/dbraw/zinc/39/38/65/645393865.db2.gz WXQACXVQPYYAHD-NWDGAFQWSA-N 0 3 237.299 0.974 20 10 BCCDHN COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1[O-] ZINC000846048152 645393873 /nfs/dbraw/zinc/39/38/73/645393873.db2.gz WXQACXVQPYYAHD-NWDGAFQWSA-N 0 3 237.299 0.974 20 10 BCCDHN C[C@@H](CC(N)=O)[NH2+]Cc1ccccc1[O-] ZINC000129340813 712635144 /nfs/dbraw/zinc/63/51/44/712635144.db2.gz ZJHQPOQWASEWDL-QMMMGPOBSA-N 0 3 208.261 0.746 20 10 BCCDHN COc1ccc(CNC(=O)[C@@H](C)N)c(O)c1 ZINC000396467343 710907591 /nfs/dbraw/zinc/90/75/91/710907591.db2.gz UQPSNPQYMKXMEQ-SSDOTTSWSA-N 0 3 224.260 0.364 20 10 BCCDHN CON(C)C(=O)CNCc1ccccc1O ZINC000397532032 711385151 /nfs/dbraw/zinc/38/51/51/711385151.db2.gz KZRAZSKGIIEXLP-UHFFFAOYSA-N 0 3 224.260 0.502 20 10 BCCDHN Oc1cc2c(cc1CNCc1c[nH]nn1)OCO2 ZINC000398343608 711408322 /nfs/dbraw/zinc/40/83/22/711408322.db2.gz OAPVAZRXPIFBQU-UHFFFAOYSA-N 0 3 248.242 0.529 20 10 BCCDHN CCOc1cccc(C[NH2+]CCO)c1[O-] ZINC000020597070 342992134 /nfs/dbraw/zinc/99/21/34/342992134.db2.gz DZEAHTMUTWQPGM-UHFFFAOYSA-N 0 3 211.261 0.873 20 10 BCCDHN C[C@@H](CNC(=O)Cc1ccc(N)cc1)N(C)C ZINC000038089290 343370070 /nfs/dbraw/zinc/37/00/70/343370070.db2.gz DWPSCKLAUMEYAM-JTQLQIEISA-N 0 3 235.331 0.878 20 10 BCCDHN OCC(CO)NCc1ccc2c(c1)CCO2 ZINC000083690342 183034224 /nfs/dbraw/zinc/03/42/24/183034224.db2.gz NWJVMNNNHONLGH-UHFFFAOYSA-N 0 3 223.272 0.064 20 10 BCCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOCCO)CC2 ZINC000296075534 183086291 /nfs/dbraw/zinc/08/62/91/183086291.db2.gz SINWTWCHQGMTBI-NSHDSACASA-N 0 3 237.299 0.978 20 10 BCCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000370384163 183129203 /nfs/dbraw/zinc/12/92/03/183129203.db2.gz CKTSXLKYPCJSMF-WDEREUQCSA-N 0 3 241.262 0.459 20 10 BCCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000370384163 183129204 /nfs/dbraw/zinc/12/92/04/183129204.db2.gz CKTSXLKYPCJSMF-WDEREUQCSA-N 0 3 241.262 0.459 20 10 BCCDHN COC[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000070589595 383938186 /nfs/dbraw/zinc/93/81/86/383938186.db2.gz QYOUYRWDPBMYJL-JTQLQIEISA-N 0 3 211.261 0.489 20 10 BCCDHN COC[C@@H](O)CNCc1ccc(N(C)C)cc1 ZINC000071270286 384157809 /nfs/dbraw/zinc/15/78/09/384157809.db2.gz COIGUUFOZMVWDS-ZDUSSCGKSA-N 0 3 238.331 0.850 20 10 BCCDHN CC[C@@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879564 384251539 /nfs/dbraw/zinc/25/15/39/384251539.db2.gz ALHMGGWBQMHKKK-VIFPVBQESA-N 0 3 239.271 0.981 20 10 BCCDHN CC(C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000096480961 384461141 /nfs/dbraw/zinc/46/11/41/384461141.db2.gz BYIIPULENCMMTM-UHFFFAOYSA-N 0 3 239.271 0.981 20 10 BCCDHN COC[C@@H](O)C[NH2+]Cc1cccc(C)c1[O-] ZINC000162865421 384700039 /nfs/dbraw/zinc/70/00/39/384700039.db2.gz OIJRTSBTFMWJBN-NSHDSACASA-N 0 3 225.288 0.798 20 10 BCCDHN CCN(C)CCNC(=O)Cc1ccc(N)cc1 ZINC000054109991 384821172 /nfs/dbraw/zinc/82/11/72/384821172.db2.gz VSSCCINPTGNVIT-UHFFFAOYSA-N 0 3 235.331 0.879 20 10 BCCDHN CN(C)c1ccc(CNC(=O)CN)cc1F ZINC000083884428 384807182 /nfs/dbraw/zinc/80/71/82/384807182.db2.gz XXIHLZWTHKAVGR-UHFFFAOYSA-N 0 3 225.267 0.467 20 10 BCCDHN CNCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000166475607 385247522 /nfs/dbraw/zinc/24/75/22/385247522.db2.gz YMUCFUOPILLPQC-UHFFFAOYSA-N 0 3 247.342 0.905 20 10 BCCDHN COC[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000234787755 386099129 /nfs/dbraw/zinc/09/91/29/386099129.db2.gz IHIDEBNUJVFINB-JTQLQIEISA-N 0 3 229.251 0.628 20 10 BCCDHN O=C1NC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]12 ZINC000367940004 386920733 /nfs/dbraw/zinc/92/07/33/386920733.db2.gz BIYGSUGMJMJKDB-NEPJUHHUSA-N 0 3 246.310 0.960 20 10 BCCDHN O=C1NC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]12 ZINC000367940004 386920736 /nfs/dbraw/zinc/92/07/36/386920736.db2.gz BIYGSUGMJMJKDB-NEPJUHHUSA-N 0 3 246.310 0.960 20 10 BCCDHN C[N@H+](CCC(N)=O)Cc1ccccc1[O-] ZINC000264677043 388992351 /nfs/dbraw/zinc/99/23/51/388992351.db2.gz BAVALYVTANTMHT-UHFFFAOYSA-N 0 3 208.261 0.699 20 10 BCCDHN C[N@@H+](CCC(N)=O)Cc1ccccc1[O-] ZINC000264677043 388992352 /nfs/dbraw/zinc/99/23/52/388992352.db2.gz BAVALYVTANTMHT-UHFFFAOYSA-N 0 3 208.261 0.699 20 10 BCCDHN CNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000087728085 173278215 /nfs/dbraw/zinc/27/82/15/173278215.db2.gz BBYNHPCJYDLKRM-QMMMGPOBSA-N 0 3 208.261 0.789 20 10 BCCDHN COCC[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000282350400 174389418 /nfs/dbraw/zinc/38/94/18/174389418.db2.gz VOOHVUMBOJPAGP-NSHDSACASA-N 0 3 225.288 0.879 20 10 BCCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(N)=O)c1 ZINC000035793373 175160811 /nfs/dbraw/zinc/16/08/11/175160811.db2.gz FTODPOQUKQHEHP-HTQZYQBOSA-N 0 3 238.287 0.925 20 10 BCCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2COCCN2)c1 ZINC000530181301 324512552 /nfs/dbraw/zinc/51/25/52/324512552.db2.gz LMHIJYWNYQIFEC-LBPRGKRZSA-N 0 3 236.315 0.779 20 10 BCCDHN [O-]c1ccccc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000858297463 588943029 /nfs/dbraw/zinc/94/30/29/588943029.db2.gz DJNAIJXPXIECBZ-GFCCVEGCSA-N 0 3 236.315 0.548 20 10 BCCDHN C[C@@]1([NH2+]Cc2ccccc2[O-])CCNC1=O ZINC000897871034 584055783 /nfs/dbraw/zinc/05/57/83/584055783.db2.gz FKWQYZYTLMSZRO-GFCCVEGCSA-N 0 3 220.272 0.760 20 10 BCCDHN COc1cccc(CN[C@H]2CNOC2)c1O ZINC000904427087 584881348 /nfs/dbraw/zinc/88/13/48/584881348.db2.gz QVSCZNPUFKOBLL-VIFPVBQESA-N 0 3 224.260 0.394 20 10 BCCDHN Cc1cccc(CN[C@H]2CNOC2)c1O ZINC000904425833 584881465 /nfs/dbraw/zinc/88/14/65/584881465.db2.gz ZNOFTVOTUIGYMY-JTQLQIEISA-N 0 3 208.261 0.694 20 10 BCCDHN CCNC(=O)C1CN(Cc2ccccc2O)C1 ZINC000839137685 585094424 /nfs/dbraw/zinc/09/44/24/585094424.db2.gz DXNNFHZYJVLXFW-UHFFFAOYSA-N 0 3 234.299 0.960 20 10 BCCDHN CN(C)CCNC(=S)NCc1cccn1C ZINC000743062216 585133478 /nfs/dbraw/zinc/13/34/78/585133478.db2.gz VMWCPSALHCGJLM-UHFFFAOYSA-N 0 3 240.376 0.551 20 10 BCCDHN Cc1ccc([O-])c(C[NH2+]CCc2nnnn2C)c1 ZINC000771875337 585602981 /nfs/dbraw/zinc/60/29/81/585602981.db2.gz FXSWELATRNSJPE-UHFFFAOYSA-N 0 3 247.302 0.556 20 10 BCCDHN Oc1ccc(F)cc1CN1C[C@H](O)C[C@H](O)C1 ZINC000779031708 585744196 /nfs/dbraw/zinc/74/41/96/585744196.db2.gz GCPSAZBMPNRRHD-PHIMTYICSA-N 0 3 241.262 0.459 20 10 BCCDHN C[NH2+]CCNCc1c([O-])cccc1OC ZINC000841034943 587937243 /nfs/dbraw/zinc/93/72/43/587937243.db2.gz HQDSYFBXILWNQQ-UHFFFAOYSA-N 0 3 210.277 0.710 20 10 BCCDHN CN(Cc1c([O-])cccc1Cl)C[C@H](O)C[NH3+] ZINC000841093810 587946247 /nfs/dbraw/zinc/94/62/47/587946247.db2.gz ULGYRBUTCNKQBE-MRVPVSSYSA-N 0 3 244.722 0.797 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CNCCO1 ZINC000841098081 587946759 /nfs/dbraw/zinc/94/67/59/587946759.db2.gz BQOUAHDOUVKDGV-NSHDSACASA-N 0 3 240.278 0.609 20 10 BCCDHN NC[C@H]1CC(C(=O)Nc2ccc(N)cc2)=NO1 ZINC000852790258 588702761 /nfs/dbraw/zinc/70/27/61/588702761.db2.gz NBSDUGLXJWEIMH-SECBINFHSA-N 0 3 234.259 0.311 20 10 BCCDHN CN(C[C@H]1CNCCO1)c1ccc(N)cc1 ZINC000863558222 589299031 /nfs/dbraw/zinc/29/90/31/589299031.db2.gz AGRBRBKOLDMIHP-GFCCVEGCSA-N 0 3 221.304 0.693 20 10 BCCDHN CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(N)cc2)C1 ZINC000876504496 590204157 /nfs/dbraw/zinc/20/41/57/590204157.db2.gz OPSPBGYXSSABRD-WCQYABFASA-N 0 3 249.314 0.974 20 10 BCCDHN Cc1cccc([O-])c1C[NH2+]CCOCCO ZINC000876889486 590254358 /nfs/dbraw/zinc/25/43/58/590254358.db2.gz OGKUGEVFIWTGRA-UHFFFAOYSA-N 0 3 225.288 0.799 20 10 BCCDHN Cc1cccc([O-])c1C[NH2+]CC1(CO)COC1 ZINC000877114173 590287867 /nfs/dbraw/zinc/28/78/67/590287867.db2.gz VKROMMCZXFEUAS-UHFFFAOYSA-N 0 3 237.299 0.799 20 10 BCCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCOC1 ZINC000877118333 590288150 /nfs/dbraw/zinc/28/81/50/590288150.db2.gz XOCZFZXWSCRNRQ-ZDUSSCGKSA-N 0 3 237.299 0.942 20 10 BCCDHN Cc1ccc(C[NH2+]C[C@@]2(O)CCOC2)c([O-])c1 ZINC000877118227 590288448 /nfs/dbraw/zinc/28/84/48/590288448.db2.gz RWAOWRLMEZTNQC-ZDUSSCGKSA-N 0 3 237.299 0.942 20 10 BCCDHN Cc1cccc([O-])c1C[NH2+]CC(=O)N(C)C ZINC000877150256 590292757 /nfs/dbraw/zinc/29/27/57/590292757.db2.gz NHSVOHNYYBXFPX-UHFFFAOYSA-N 0 3 222.288 0.878 20 10 BCCDHN CN1CCN(Cc2ccccc2O)[C@@H](CO)C1 ZINC000877643151 590383250 /nfs/dbraw/zinc/38/32/50/590383250.db2.gz AXUYKQPXHDAXDV-GFCCVEGCSA-N 0 3 236.315 0.501 20 10 BCCDHN Cn1nnnc1CC[N@H+](C)Cc1ccccc1[O-] ZINC000878242943 590528012 /nfs/dbraw/zinc/52/80/12/590528012.db2.gz XOMNMHROHKBOOU-UHFFFAOYSA-N 0 3 247.302 0.590 20 10 BCCDHN Cn1nnnc1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000878242943 590528014 /nfs/dbraw/zinc/52/80/14/590528014.db2.gz XOMNMHROHKBOOU-UHFFFAOYSA-N 0 3 247.302 0.590 20 10 BCCDHN Nc1ccc(NC(=O)CNC2CC2)cc1 ZINC000309632173 633977895 /nfs/dbraw/zinc/97/78/95/633977895.db2.gz RJSUTJRSEBEGCR-UHFFFAOYSA-N 0 3 205.261 0.959 20 10 BCCDHN CC[C@@H](N)C(=O)NCc1ccccc1O ZINC000083345386 643435549 /nfs/dbraw/zinc/43/55/49/643435549.db2.gz YLPCMXIGELJYRO-SECBINFHSA-N 0 3 208.261 0.746 20 10 BCCDHN C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccccc1[O-] ZINC000381328647 710622376 /nfs/dbraw/zinc/62/23/76/710622376.db2.gz SCRLTYWXDCFJAL-WCBMZHEXSA-N 0 3 220.272 0.931 20 10 BCCDHN C[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825822 343410142 /nfs/dbraw/zinc/41/01/42/343410142.db2.gz FUMLAYQQFXPUQV-SECBINFHSA-N 0 3 221.304 0.716 20 10 BCCDHN Cc1cccc(CNCCS(C)(=O)=O)c1O ZINC000162832075 179091482 /nfs/dbraw/zinc/09/14/82/179091482.db2.gz ZXKDEAGYIRYRRH-UHFFFAOYSA-N 0 3 243.328 0.835 20 10 BCCDHN Nc1ccc(CC(=O)N2CCCNCC2)cc1 ZINC000035738353 358458753 /nfs/dbraw/zinc/45/87/53/358458753.db2.gz AEUDHBURJMZNIK-UHFFFAOYSA-N 0 3 233.315 0.633 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000359973384 188258618 /nfs/dbraw/zinc/25/86/18/188258618.db2.gz KYEWFXUMHLTRNQ-GHMZBOCLSA-N 0 3 223.272 0.320 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000359973384 188258620 /nfs/dbraw/zinc/25/86/20/188258620.db2.gz KYEWFXUMHLTRNQ-GHMZBOCLSA-N 0 3 223.272 0.320 20 10 BCCDHN NC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183293384 181270885 /nfs/dbraw/zinc/27/08/85/181270885.db2.gz DYIHZHZKVQEWPC-MRVPVSSYSA-N 0 3 238.262 0.839 20 10 BCCDHN NC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183293384 181270887 /nfs/dbraw/zinc/27/08/87/181270887.db2.gz DYIHZHZKVQEWPC-MRVPVSSYSA-N 0 3 238.262 0.839 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+]CCOCCO ZINC000083356603 183083786 /nfs/dbraw/zinc/08/37/86/183083786.db2.gz MXRRLYCIEFUIFB-UHFFFAOYSA-N 0 3 229.251 0.630 20 10 BCCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000370384162 183156120 /nfs/dbraw/zinc/15/61/20/183156120.db2.gz CKTSXLKYPCJSMF-MNOVXSKESA-N 0 3 241.262 0.459 20 10 BCCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000370384162 183156122 /nfs/dbraw/zinc/15/61/22/183156122.db2.gz CKTSXLKYPCJSMF-MNOVXSKESA-N 0 3 241.262 0.459 20 10 BCCDHN C[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000083884430 384807758 /nfs/dbraw/zinc/80/77/58/384807758.db2.gz FJFONWHHKCAVNL-MRVPVSSYSA-N 0 3 239.294 0.855 20 10 BCCDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(O)CCOC2)c1 ZINC000229640861 385648349 /nfs/dbraw/zinc/64/83/49/385648349.db2.gz FRPLUWUCTXZQNP-CYBMUJFWSA-N 0 3 237.299 0.942 20 10 BCCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)NCCF ZINC000282670404 385776955 /nfs/dbraw/zinc/77/69/55/385776955.db2.gz MUJFGXXRTVHRPB-SECBINFHSA-N 0 3 240.278 0.956 20 10 BCCDHN CN(C)c1ccc(CNC[C@@H](O)CO)cc1F ZINC000276745933 386372726 /nfs/dbraw/zinc/37/27/26/386372726.db2.gz LFIQHVUAFLSJDF-SNVBAGLBSA-N 0 3 242.294 0.335 20 10 BCCDHN CS(=O)(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586707 386336430 /nfs/dbraw/zinc/33/64/30/386336430.db2.gz HSSAOHZNPMMJDM-UHFFFAOYSA-N 0 3 247.291 0.666 20 10 BCCDHN Cc1cccc(C[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530182225 388622675 /nfs/dbraw/zinc/62/26/75/388622675.db2.gz SALDHLWVRMCDLX-GFCCVEGCSA-N 0 3 236.315 0.779 20 10 BCCDHN C[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000178863364 397850435 /nfs/dbraw/zinc/85/04/35/397850435.db2.gz XYXIFQPPCFBFEZ-VIFPVBQESA-N 0 3 249.314 0.825 20 10 BCCDHN COc1ccc(O)c(CN(C)CCO)c1 ZINC000163118495 175157429 /nfs/dbraw/zinc/15/74/29/175157429.db2.gz UZRVTXFOCVVNMN-UHFFFAOYSA-N 0 3 211.261 0.825 20 10 BCCDHN COc1cccc(C[N@H+](C)CCC(N)=O)c1[O-] ZINC000289588973 175255731 /nfs/dbraw/zinc/25/57/31/175255731.db2.gz KHNDFGNNWBJYEM-UHFFFAOYSA-N 0 3 238.287 0.708 20 10 BCCDHN COc1cccc(C[N@@H+](C)CCC(N)=O)c1[O-] ZINC000289588973 175255732 /nfs/dbraw/zinc/25/57/32/175255732.db2.gz KHNDFGNNWBJYEM-UHFFFAOYSA-N 0 3 238.287 0.708 20 10 BCCDHN COC[C@@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000894616644 583495592 /nfs/dbraw/zinc/49/55/92/583495592.db2.gz GWJZQSQXGFJXJW-SNVBAGLBSA-N 0 3 225.288 0.798 20 10 BCCDHN CN(C(=O)C(C)(C)N)c1ccc(N)cc1 ZINC000140894087 583545137 /nfs/dbraw/zinc/54/51/37/583545137.db2.gz OURFEBBCVRUWMF-UHFFFAOYSA-N 0 3 207.277 0.969 20 10 BCCDHN C[C@]1(NCc2ccc3c(c2)CCO3)CCNC1=O ZINC000897871022 584056118 /nfs/dbraw/zinc/05/61/18/584056118.db2.gz FAYDSBRWEPWANJ-AWEZNQCLSA-N 0 3 246.310 0.990 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000839161025 585098209 /nfs/dbraw/zinc/09/82/09/585098209.db2.gz YYNXJSPEBKHAHW-ZDUSSCGKSA-N 0 3 237.299 0.711 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000839161025 585098210 /nfs/dbraw/zinc/09/82/10/585098210.db2.gz YYNXJSPEBKHAHW-ZDUSSCGKSA-N 0 3 237.299 0.711 20 10 BCCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCN)c1 ZINC000817934314 586843593 /nfs/dbraw/zinc/84/35/93/586843593.db2.gz HPARNXFEZMHMAK-MRVPVSSYSA-N 0 3 238.287 0.788 20 10 BCCDHN COC(=O)c1ccc([O-])c([C@@H](C)NCC[NH3+])c1 ZINC000817934314 586843594 /nfs/dbraw/zinc/84/35/94/586843594.db2.gz HPARNXFEZMHMAK-MRVPVSSYSA-N 0 3 238.287 0.788 20 10 BCCDHN CC1(C)CN[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000818545022 586899412 /nfs/dbraw/zinc/89/94/12/586899412.db2.gz AXYKYGKDJAQCBO-LBPRGKRZSA-N 0 3 247.342 0.926 20 10 BCCDHN CO[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H]1O ZINC000825017909 587299142 /nfs/dbraw/zinc/29/91/42/587299142.db2.gz ZTPXHNXGDWSZRV-VXGBXAGGSA-N 0 3 241.262 0.723 20 10 BCCDHN CO[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@H]1O ZINC000825017392 587299349 /nfs/dbraw/zinc/29/93/49/587299349.db2.gz QDBCVTSJZHIAFF-VXGBXAGGSA-N 0 3 237.299 0.892 20 10 BCCDHN CO[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@H]1O ZINC000825017392 587299351 /nfs/dbraw/zinc/29/93/51/587299351.db2.gz QDBCVTSJZHIAFF-VXGBXAGGSA-N 0 3 237.299 0.892 20 10 BCCDHN CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832284066 587653174 /nfs/dbraw/zinc/65/31/74/587653174.db2.gz HGWSXBRIWCDXFV-LBPRGKRZSA-N 0 3 221.304 0.889 20 10 BCCDHN CC[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000832659211 587675199 /nfs/dbraw/zinc/67/51/99/587675199.db2.gz TUWMCUGGIVBLGJ-NSHDSACASA-N 0 3 221.304 0.665 20 10 BCCDHN CCN(OC)C(=O)CNCc1ccccc1O ZINC000842768574 588061506 /nfs/dbraw/zinc/06/15/06/588061506.db2.gz RFVPUYCOUZQNPO-UHFFFAOYSA-N 0 3 238.287 0.892 20 10 BCCDHN CC1(C(N)=O)C[NH+](Cc2ccccc2[O-])C1 ZINC000843415469 588107294 /nfs/dbraw/zinc/10/72/94/588107294.db2.gz GIECOHPHDKQCBP-UHFFFAOYSA-N 0 3 220.272 0.699 20 10 BCCDHN CCN[C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000876527461 590209387 /nfs/dbraw/zinc/20/93/87/590209387.db2.gz GJKQBWGZGYGVRW-SNVBAGLBSA-N 0 3 235.331 0.926 20 10 BCCDHN CN(C(=O)CN1CCNCC1)c1ccc(N)cc1 ZINC000877076434 590278886 /nfs/dbraw/zinc/27/88/86/590278886.db2.gz MONQAFXEQPYUOJ-UHFFFAOYSA-N 0 3 248.330 0.137 20 10 BCCDHN CN(C(=O)[C@]1(F)CCNC1)c1ccc(N)cc1 ZINC000877079312 590279439 /nfs/dbraw/zinc/27/94/39/590279439.db2.gz XGSRMBCOKMPTID-LBPRGKRZSA-N 0 3 237.278 0.933 20 10 BCCDHN Oc1cc2c(cc1CN1CC[C@@H](O)C1)OCO2 ZINC000126339025 590283055 /nfs/dbraw/zinc/28/30/55/590283055.db2.gz OWJLCKYLCAYSTQ-SECBINFHSA-N 0 3 237.255 0.688 20 10 BCCDHN Cc1ccc(C[NH2+]CC2(CO)COC2)c([O-])c1 ZINC000877113256 590287102 /nfs/dbraw/zinc/28/71/02/590287102.db2.gz FSQPQGOGUDDACA-UHFFFAOYSA-N 0 3 237.299 0.799 20 10 BCCDHN COC[C@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877492077 590340373 /nfs/dbraw/zinc/34/03/73/590340373.db2.gz QLFCXWFBJAMRCB-NSHDSACASA-N 0 3 225.288 0.798 20 10 BCCDHN COC[C@@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877492076 590340479 /nfs/dbraw/zinc/34/04/79/590340479.db2.gz QLFCXWFBJAMRCB-LLVKDONJSA-N 0 3 225.288 0.798 20 10 BCCDHN CO[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])C[C@H]1O ZINC000877570743 590362427 /nfs/dbraw/zinc/36/24/27/590362427.db2.gz RLMMJHJZBXBWKA-CHWSQXEVSA-N 0 3 237.299 0.892 20 10 BCCDHN CO[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1O ZINC000877570743 590362429 /nfs/dbraw/zinc/36/24/29/590362429.db2.gz RLMMJHJZBXBWKA-CHWSQXEVSA-N 0 3 237.299 0.892 20 10 BCCDHN COC[C@@H](CO)NCc1c(O)cccc1OC ZINC000883107737 591541094 /nfs/dbraw/zinc/54/10/94/591541094.db2.gz ISEUIEANKLKMQE-SECBINFHSA-N 0 3 241.287 0.498 20 10 BCCDHN C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccccc1[O-] ZINC000134823997 591953240 /nfs/dbraw/zinc/95/32/40/591953240.db2.gz SSZFNQZJVFACKN-XRNSZHNASA-N 0 3 223.272 0.803 20 10 BCCDHN C[C@H](CC(N)=O)NCc1ccc2c(c1)CCO2 ZINC000135729312 592042388 /nfs/dbraw/zinc/04/23/88/592042388.db2.gz CRUIMHNQWWWCKV-SECBINFHSA-N 0 3 234.299 0.975 20 10 BCCDHN Oc1cccc2c1[C@H](N[C@H]1CNOC1)CC2 ZINC000925866531 635569651 /nfs/dbraw/zinc/56/96/51/635569651.db2.gz MAVRSFRZEIOBBT-VHSXEESVSA-N 0 3 220.272 0.873 20 10 BCCDHN C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccccc1[O-] ZINC000089751449 642131335 /nfs/dbraw/zinc/13/13/35/642131335.db2.gz KVPDFJJVBRJDKX-PSASIEDQSA-N 0 3 248.282 0.848 20 10 BCCDHN C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccccc1[O-] ZINC000089751452 642132354 /nfs/dbraw/zinc/13/23/54/642132354.db2.gz KVPDFJJVBRJDKX-WPRPVWTQSA-N 0 3 248.282 0.848 20 10 BCCDHN CN1C[C@H](NCc2ccc3c(c2)CCO3)CC1=O ZINC000386308586 711028283 /nfs/dbraw/zinc/02/82/83/711028283.db2.gz GSAFAQAMXBJKAS-GFCCVEGCSA-N 0 3 246.310 0.942 20 10 BCCDHN CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000398531147 711411796 /nfs/dbraw/zinc/41/17/96/711411796.db2.gz XOONWQQAGBVGPA-NSHDSACASA-N 0 3 234.299 0.960 20 10 BCCDHN CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000398531147 711411798 /nfs/dbraw/zinc/41/17/98/711411798.db2.gz XOONWQQAGBVGPA-NSHDSACASA-N 0 3 234.299 0.960 20 10 BCCDHN C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccccc1[O-] ZINC000381328645 710622504 /nfs/dbraw/zinc/62/25/04/710622504.db2.gz SCRLTYWXDCFJAL-PSASIEDQSA-N 0 3 220.272 0.931 20 10 BCCDHN Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1[O-] ZINC000359973371 179083727 /nfs/dbraw/zinc/08/37/27/179083727.db2.gz KTTRTRYTIRGQTG-VXGBXAGGSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1[O-] ZINC000359973371 179083730 /nfs/dbraw/zinc/08/37/30/179083730.db2.gz KTTRTRYTIRGQTG-VXGBXAGGSA-N 0 3 237.299 0.628 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000187665501 183128765 /nfs/dbraw/zinc/12/87/65/183128765.db2.gz KYEWFXUMHLTRNQ-QWRGUYRKSA-N 0 3 223.272 0.320 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000187665501 183128768 /nfs/dbraw/zinc/12/87/68/183128768.db2.gz KYEWFXUMHLTRNQ-QWRGUYRKSA-N 0 3 223.272 0.320 20 10 BCCDHN C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccccc1[O-] ZINC000296029871 383917856 /nfs/dbraw/zinc/91/78/56/383917856.db2.gz SSZFNQZJVFACKN-HLUHBDAQSA-N 0 3 223.272 0.803 20 10 BCCDHN COC[C@@H](O)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000070589982 384121190 /nfs/dbraw/zinc/12/11/90/384121190.db2.gz GABWKBVEVRQKOW-NSHDSACASA-N 0 3 225.288 0.798 20 10 BCCDHN COC[C@H](O)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000070589983 384122840 /nfs/dbraw/zinc/12/28/40/384122840.db2.gz GABWKBVEVRQKOW-LLVKDONJSA-N 0 3 225.288 0.798 20 10 BCCDHN COC[C@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296568730 384192050 /nfs/dbraw/zinc/19/20/50/384192050.db2.gz UXMNTZRHXUBYLI-QWRGUYRKSA-N 0 3 237.299 0.976 20 10 BCCDHN Cc1ccc([O-])c(C[N@H+](CCO)CCCO)c1 ZINC000093324120 384228833 /nfs/dbraw/zinc/22/88/33/384228833.db2.gz ITJWGNDKRLJJQJ-UHFFFAOYSA-N 0 3 239.315 0.877 20 10 BCCDHN Cc1ccc([O-])c(C[N@@H+](CCO)CCCO)c1 ZINC000093324120 384228836 /nfs/dbraw/zinc/22/88/36/384228836.db2.gz ITJWGNDKRLJJQJ-UHFFFAOYSA-N 0 3 239.315 0.877 20 10 BCCDHN COC[C@H](O)C[NH2+]Cc1cccc(C)c1[O-] ZINC000162865538 384699068 /nfs/dbraw/zinc/69/90/68/384699068.db2.gz OIJRTSBTFMWJBN-LLVKDONJSA-N 0 3 225.288 0.798 20 10 BCCDHN COc1ccc(CNC[C@H](O)CO)cc1C ZINC000083353965 384762099 /nfs/dbraw/zinc/76/20/99/384762099.db2.gz HWHMSOBAHIIHCI-NSHDSACASA-N 0 3 225.288 0.446 20 10 BCCDHN Nc1ccc(NC(=O)[C@@]2(F)CCNC2)cc1 ZINC000160460430 385646989 /nfs/dbraw/zinc/64/69/89/385646989.db2.gz YLHNEBDOQKPCKS-LLVKDONJSA-N 0 3 223.251 0.909 20 10 BCCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000271233794 385809508 /nfs/dbraw/zinc/80/95/08/385809508.db2.gz AJYWWPGTFHWFJD-NSHDSACASA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000271233794 385809511 /nfs/dbraw/zinc/80/95/11/385809511.db2.gz AJYWWPGTFHWFJD-NSHDSACASA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1ccc(O)c(CN2CC[C@H](NC(N)=O)C2)c1 ZINC000271233794 385809514 /nfs/dbraw/zinc/80/95/14/385809514.db2.gz AJYWWPGTFHWFJD-NSHDSACASA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1ccc(O)c(CN(C)[C@@H]2COC[C@H]2O)c1 ZINC000289916994 386371581 /nfs/dbraw/zinc/37/15/81/386371581.db2.gz XKQWQQPQVFESIT-DGCLKSJQSA-N 0 3 237.299 0.892 20 10 BCCDHN CO[C@@H](CN)C(=O)N(C)Cc1ccccc1O ZINC000227368612 386479405 /nfs/dbraw/zinc/47/94/05/386479405.db2.gz ACIXRHQJFWDRKE-NSHDSACASA-N 0 3 238.287 0.324 20 10 BCCDHN COC[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296351735 388422731 /nfs/dbraw/zinc/42/27/31/388422731.db2.gz HOGJOCYCRLFWFJ-MNOVXSKESA-N 0 3 237.299 0.976 20 10 BCCDHN CN(C)C(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226619496 172370615 /nfs/dbraw/zinc/37/06/15/172370615.db2.gz LHMMLZHAVZBVSR-UHFFFAOYSA-N 0 3 226.251 0.709 20 10 BCCDHN COc1ccc(O)c(CNCC(=O)N(C)C)c1 ZINC000037225256 175158569 /nfs/dbraw/zinc/15/85/69/175158569.db2.gz ZSYXPXNGPIUNCD-UHFFFAOYSA-N 0 3 238.287 0.579 20 10 BCCDHN O=C1CC[C@@H](C[NH2+]Cc2ccccc2[O-])N1 ZINC000070627914 582599160 /nfs/dbraw/zinc/59/91/60/582599160.db2.gz SBBYDZDDOMQSNQ-JTQLQIEISA-N 0 3 220.272 0.760 20 10 BCCDHN Cc1cccc(C[NH2+]CCN2CCNC2=O)c1[O-] ZINC000895814171 583733661 /nfs/dbraw/zinc/73/36/61/583733661.db2.gz LOTYXENZJWNHPQ-UHFFFAOYSA-N 0 3 249.314 0.815 20 10 BCCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCNC1=O ZINC000895814166 583734034 /nfs/dbraw/zinc/73/40/34/583734034.db2.gz LKXNGYMZXFIFLN-UHFFFAOYSA-N 0 3 249.314 0.815 20 10 BCCDHN Cc1cccc(CN[C@@H]2CNOC2)c1O ZINC000904425138 584880924 /nfs/dbraw/zinc/88/09/24/584880924.db2.gz ZNOFTVOTUIGYMY-SNVBAGLBSA-N 0 3 208.261 0.694 20 10 BCCDHN Oc1ccc(F)cc1CN[C@H]1CNOC1 ZINC000904425552 584881503 /nfs/dbraw/zinc/88/15/03/584881503.db2.gz QNZNPCYBJFSPIO-VIFPVBQESA-N 0 3 212.224 0.524 20 10 BCCDHN CN1CCO[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000770506125 584979517 /nfs/dbraw/zinc/97/95/17/584979517.db2.gz TZZGMBRVMNFDTM-JSGCOSHPSA-N 0 3 248.326 0.907 20 10 BCCDHN CN1CCO[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000770506125 584979518 /nfs/dbraw/zinc/97/95/18/584979518.db2.gz TZZGMBRVMNFDTM-JSGCOSHPSA-N 0 3 248.326 0.907 20 10 BCCDHN C[C@@H](NCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817935412 586842567 /nfs/dbraw/zinc/84/25/67/586842567.db2.gz VIMCDVFQXLKPKK-SSDOTTSWSA-N 0 3 225.248 0.910 20 10 BCCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]1O)OCO2 ZINC000818231413 586880659 /nfs/dbraw/zinc/88/06/59/586880659.db2.gz QTUMIHXEMAWGLS-RKDXNWHRSA-N 0 3 237.255 0.734 20 10 BCCDHN Nc1ccc(CCNC(=O)C2(N)CC2)cc1 ZINC000818545063 586899767 /nfs/dbraw/zinc/89/97/67/586899767.db2.gz DRTALPYVESISKK-UHFFFAOYSA-N 0 3 219.288 0.419 20 10 BCCDHN COCCNCC[NH2+]Cc1ccccc1[O-] ZINC000841049023 587939968 /nfs/dbraw/zinc/93/99/68/587939968.db2.gz XGRQGWVTIPPMJY-UHFFFAOYSA-N 0 3 224.304 0.718 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CNCCO1 ZINC000841098080 587946600 /nfs/dbraw/zinc/94/66/00/587946600.db2.gz BQOUAHDOUVKDGV-LLVKDONJSA-N 0 3 240.278 0.609 20 10 BCCDHN Cc1cc(O)c(CN[C@H]2CCNC2=O)cc1C ZINC000850343467 588538132 /nfs/dbraw/zinc/53/81/32/588538132.db2.gz NUKCMRGNZGSKSW-NSHDSACASA-N 0 3 234.299 0.987 20 10 BCCDHN Cc1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c([O-])c1 ZINC000876817065 590246084 /nfs/dbraw/zinc/24/60/84/590246084.db2.gz WUEXLUSPLCVTRR-NSHDSACASA-N 0 3 249.314 0.943 20 10 BCCDHN Cc1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c([O-])c1 ZINC000876817065 590246085 /nfs/dbraw/zinc/24/60/85/590246085.db2.gz WUEXLUSPLCVTRR-NSHDSACASA-N 0 3 249.314 0.943 20 10 BCCDHN CN(C(=O)CNC1CC1)c1ccc(N)cc1 ZINC000877077326 590278636 /nfs/dbraw/zinc/27/86/36/590278636.db2.gz DALQNXNDGREBAQ-UHFFFAOYSA-N 0 3 219.288 0.984 20 10 BCCDHN CC[C@@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877077946 590279154 /nfs/dbraw/zinc/27/91/54/590279154.db2.gz WXZYGKBIICZLRR-SNVBAGLBSA-N 0 3 207.277 0.969 20 10 BCCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(O)CCOC1 ZINC000877118332 590288402 /nfs/dbraw/zinc/28/84/02/590288402.db2.gz XOCZFZXWSCRNRQ-CYBMUJFWSA-N 0 3 237.299 0.942 20 10 BCCDHN C[N@H+](CCn1cnnn1)Cc1ccccc1[O-] ZINC000878243090 590527890 /nfs/dbraw/zinc/52/78/90/590527890.db2.gz ZMAOMCTYKSOIEI-UHFFFAOYSA-N 0 3 233.275 0.511 20 10 BCCDHN C[N@@H+](CCn1cnnn1)Cc1ccccc1[O-] ZINC000878243090 590527891 /nfs/dbraw/zinc/52/78/91/590527891.db2.gz ZMAOMCTYKSOIEI-UHFFFAOYSA-N 0 3 233.275 0.511 20 10 BCCDHN CC(=O)NCC[N@@H+](C)Cc1ccccc1[O-] ZINC000308307200 631280796 /nfs/dbraw/zinc/28/07/96/631280796.db2.gz PASIJHCZPMVQTL-UHFFFAOYSA-N 0 3 222.288 0.960 20 10 BCCDHN CC(=O)NCC[N@H+](C)Cc1ccccc1[O-] ZINC000308307200 631280800 /nfs/dbraw/zinc/28/08/00/631280800.db2.gz PASIJHCZPMVQTL-UHFFFAOYSA-N 0 3 222.288 0.960 20 10 BCCDHN COC[C@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000309633620 632593944 /nfs/dbraw/zinc/59/39/44/632593944.db2.gz IROMEIZFCSNLLX-LBPRGKRZSA-N 0 3 225.288 0.879 20 10 BCCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1COC[C@H]1O)CC2 ZINC000323106500 636899559 /nfs/dbraw/zinc/89/95/59/636899559.db2.gz CROSTDGPPBKYQL-JFGNBEQYSA-N 0 3 235.283 0.729 20 10 BCCDHN C[C@@H]([NH2+]C[C@H](O)[C@H](C)O)c1ccccc1[O-] ZINC000931555208 640273253 /nfs/dbraw/zinc/27/32/53/640273253.db2.gz VFCKCBQABNESJO-PTRXPTGYSA-N 0 3 225.288 0.785 20 10 BCCDHN [NH3+]C[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000229019290 640911731 /nfs/dbraw/zinc/91/17/31/640911731.db2.gz DCEPCIFYQLLGNJ-LLVKDONJSA-N 0 3 240.278 0.691 20 10 BCCDHN NCC(=O)NCCCSc1nccs1 ZINC000237967454 642766628 /nfs/dbraw/zinc/76/66/28/642766628.db2.gz JYOHOAVEDDODOM-UHFFFAOYSA-N 0 3 231.346 0.700 20 10 BCCDHN [O-]c1ccccc1C[NH2+][C@]1(CO)CCOC1 ZINC000184192174 644532765 /nfs/dbraw/zinc/53/27/65/644532765.db2.gz FQBWDCIHBRNATH-LBPRGKRZSA-N 0 3 223.272 0.633 20 10 BCCDHN NC(=O)C1(NCc2ccccc2O)CC1 ZINC000185222144 644533902 /nfs/dbraw/zinc/53/39/02/644533902.db2.gz SOKZXZCSGPPOPF-UHFFFAOYSA-N 0 3 206.245 0.500 20 10 BCCDHN CON(C)C(=O)CNCc1cccc(C)c1O ZINC000397520921 711385300 /nfs/dbraw/zinc/38/53/00/711385300.db2.gz HFFRIXMYPLDKMH-UHFFFAOYSA-N 0 3 238.287 0.810 20 10 BCCDHN O=C(C[NH2+]Cc1ccccc1[O-])NC1CC1 ZINC000036782319 343324279 /nfs/dbraw/zinc/32/42/79/343324279.db2.gz HMOXMZIMINHZPH-UHFFFAOYSA-N 0 3 220.272 0.760 20 10 BCCDHN NC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183293368 181282057 /nfs/dbraw/zinc/28/20/57/181282057.db2.gz DYIHZHZKVQEWPC-QMMMGPOBSA-N 0 3 238.262 0.839 20 10 BCCDHN NC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183293368 181282058 /nfs/dbraw/zinc/28/20/58/181282058.db2.gz DYIHZHZKVQEWPC-QMMMGPOBSA-N 0 3 238.262 0.839 20 10 BCCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOCCO)CC2 ZINC000296075532 183086080 /nfs/dbraw/zinc/08/60/80/183086080.db2.gz SINWTWCHQGMTBI-LLVKDONJSA-N 0 3 237.299 0.978 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000359973385 183156884 /nfs/dbraw/zinc/15/68/84/183156884.db2.gz KYEWFXUMHLTRNQ-MNOVXSKESA-N 0 3 223.272 0.320 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000359973385 183156886 /nfs/dbraw/zinc/15/68/86/183156886.db2.gz KYEWFXUMHLTRNQ-MNOVXSKESA-N 0 3 223.272 0.320 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+][C@@]1(CO)CCOC1 ZINC000184189606 183158988 /nfs/dbraw/zinc/15/89/88/183158988.db2.gz VKGNVSAQSSHIGF-GFCCVEGCSA-N 0 3 241.262 0.772 20 10 BCCDHN COC[C@@H](O)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000071268435 384159124 /nfs/dbraw/zinc/15/91/24/384159124.db2.gz YXGSAGPIJCBVPH-JTQLQIEISA-N 0 3 241.287 0.498 20 10 BCCDHN C[N@H+](CCOCCO)Cc1ccccc1[O-] ZINC000133023243 384268812 /nfs/dbraw/zinc/26/88/12/384268812.db2.gz STZGGYUGPWENLG-UHFFFAOYSA-N 0 3 225.288 0.833 20 10 BCCDHN C[N@@H+](CCOCCO)Cc1ccccc1[O-] ZINC000133023243 384268819 /nfs/dbraw/zinc/26/88/19/384268819.db2.gz STZGGYUGPWENLG-UHFFFAOYSA-N 0 3 225.288 0.833 20 10 BCCDHN COC[C@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610463 386345287 /nfs/dbraw/zinc/34/52/87/386345287.db2.gz MAYWZSBDTLVMME-SNVBAGLBSA-N 0 3 229.251 0.628 20 10 BCCDHN CN(C)c1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278434293 386525224 /nfs/dbraw/zinc/52/52/24/386525224.db2.gz UNDLDHHOWWYWCC-CHWSQXEVSA-N 0 3 236.315 0.290 20 10 BCCDHN COC[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296351729 388422999 /nfs/dbraw/zinc/42/29/99/388422999.db2.gz HOGJOCYCRLFWFJ-GHMZBOCLSA-N 0 3 237.299 0.976 20 10 BCCDHN CN(C)C(=O)C[NH2+]Cc1ccccc1[O-] ZINC000037225438 172370048 /nfs/dbraw/zinc/37/00/48/172370048.db2.gz JADSDBFTUMOJOS-UHFFFAOYSA-N 0 3 208.261 0.570 20 10 BCCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1COCCN1 ZINC000530180824 324511773 /nfs/dbraw/zinc/51/17/73/324511773.db2.gz BYSHZYMURBODLP-LLVKDONJSA-N 0 3 222.288 0.470 20 10 BCCDHN COc1cccc(CN2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895646607 583698886 /nfs/dbraw/zinc/69/88/86/583698886.db2.gz HMTRTCYLDOLDOA-ZWNOBZJWSA-N 0 3 235.283 0.967 20 10 BCCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CC(N)=O)c1 ZINC000135745078 583992132 /nfs/dbraw/zinc/99/21/32/583992132.db2.gz SJFCTUWICVYUCC-MRVPVSSYSA-N 0 3 238.287 0.754 20 10 BCCDHN [O-]c1ccc(F)cc1CN[C@H]1CC[NH2+]C1 ZINC000841045254 584122530 /nfs/dbraw/zinc/12/25/30/584122530.db2.gz QSUCPQONSYNELN-JTQLQIEISA-N 0 3 210.252 0.983 20 10 BCCDHN COc1ccc(O)c(CN[C@@H]2CNOC2)c1 ZINC000904424014 584880531 /nfs/dbraw/zinc/88/05/31/584880531.db2.gz AQDTZMNYAGWTQY-SECBINFHSA-N 0 3 224.260 0.394 20 10 BCCDHN CCOc1ccc(O)c(CN[C@H]2CNOC2)c1 ZINC000904426923 584881596 /nfs/dbraw/zinc/88/15/96/584881596.db2.gz KFLUWNGEZZLACZ-JTQLQIEISA-N 0 3 238.287 0.784 20 10 BCCDHN CCOc1cccc(CN[C@@H]2CNOC2)c1O ZINC000904421531 584881989 /nfs/dbraw/zinc/88/19/89/584881989.db2.gz IOSIRZRTOBNMJE-SNVBAGLBSA-N 0 3 238.287 0.784 20 10 BCCDHN CN1CCO[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC000770506126 584979235 /nfs/dbraw/zinc/97/92/35/584979235.db2.gz TZZGMBRVMNFDTM-OCCSQVGLSA-N 0 3 248.326 0.907 20 10 BCCDHN CN1CCO[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC000770506126 584979236 /nfs/dbraw/zinc/97/92/36/584979236.db2.gz TZZGMBRVMNFDTM-OCCSQVGLSA-N 0 3 248.326 0.907 20 10 BCCDHN CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000839193644 585097750 /nfs/dbraw/zinc/09/77/50/585097750.db2.gz UPEPJFVNAVPYNB-CMPLNLGQSA-N 0 3 223.272 0.896 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000839161024 585098252 /nfs/dbraw/zinc/09/82/52/585098252.db2.gz YYNXJSPEBKHAHW-CYBMUJFWSA-N 0 3 237.299 0.711 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000839161024 585098253 /nfs/dbraw/zinc/09/82/53/585098253.db2.gz YYNXJSPEBKHAHW-CYBMUJFWSA-N 0 3 237.299 0.711 20 10 BCCDHN COC[C@@H](O)C[NH2+]Cc1c([O-])cccc1OC ZINC000801733884 586269829 /nfs/dbraw/zinc/26/98/29/586269829.db2.gz IIAQDFXNYVGACL-VIFPVBQESA-N 0 3 241.287 0.498 20 10 BCCDHN COc1cccc([O-])c1CN[C@H]1CC[NH2+]C1 ZINC000841044272 587939211 /nfs/dbraw/zinc/93/92/11/587939211.db2.gz BWIBJIOTVFNXGI-VIFPVBQESA-N 0 3 222.288 0.852 20 10 BCCDHN CN(Cc1cccc(Cl)c1[O-])C[C@H](O)C[NH3+] ZINC000841094562 587946402 /nfs/dbraw/zinc/94/64/02/587946402.db2.gz YUHCNUUYOXDXJZ-SECBINFHSA-N 0 3 244.722 0.797 20 10 BCCDHN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)CN ZINC000841094562 587946403 /nfs/dbraw/zinc/94/64/03/587946403.db2.gz YUHCNUUYOXDXJZ-SECBINFHSA-N 0 3 244.722 0.797 20 10 BCCDHN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)CN ZINC000841094562 587946404 /nfs/dbraw/zinc/94/64/04/587946404.db2.gz YUHCNUUYOXDXJZ-SECBINFHSA-N 0 3 244.722 0.797 20 10 BCCDHN NCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843489771 588114899 /nfs/dbraw/zinc/11/48/99/588114899.db2.gz LSNHVHARDVEFQY-UHFFFAOYSA-N 0 3 234.299 0.846 20 10 BCCDHN COc1cccc(CNC2=[NH+]C[C@@H](C)N2)c1[O-] ZINC000849002874 588431105 /nfs/dbraw/zinc/43/11/05/588431105.db2.gz WTRSAJLTTBTFOA-MRVPVSSYSA-N 0 3 235.287 0.838 20 10 BCCDHN NC[C@@H]1CC(C(=O)Nc2ccc(N)cc2)=NO1 ZINC000852790259 588702797 /nfs/dbraw/zinc/70/27/97/588702797.db2.gz NBSDUGLXJWEIMH-VIFPVBQESA-N 0 3 234.259 0.311 20 10 BCCDHN NC[C@H]1CC(C(=O)NCc2ccccc2O)=NO1 ZINC000852883808 588711288 /nfs/dbraw/zinc/71/12/88/588711288.db2.gz OFXUIHYXVJTENX-SECBINFHSA-N 0 3 249.270 0.112 20 10 BCCDHN COC[C@@H](N)Cc1cn(-c2ccc(N)cc2)nn1 ZINC000864619609 589383956 /nfs/dbraw/zinc/38/39/56/589383956.db2.gz GTICHBUJDHSHCD-JTQLQIEISA-N 0 3 247.302 0.366 20 10 BCCDHN Cc1ccc(C[N@H+](CCO)CCCO)c([O-])c1 ZINC000876724043 590233715 /nfs/dbraw/zinc/23/37/15/590233715.db2.gz MBGSGBZAORKVQC-UHFFFAOYSA-N 0 3 239.315 0.877 20 10 BCCDHN Cc1ccc(C[N@@H+](CCO)CCCO)c([O-])c1 ZINC000876724043 590233717 /nfs/dbraw/zinc/23/37/17/590233717.db2.gz MBGSGBZAORKVQC-UHFFFAOYSA-N 0 3 239.315 0.877 20 10 BCCDHN CN(C(=O)COC1(C)CNC1)c1ccc(N)cc1 ZINC000877077432 590278788 /nfs/dbraw/zinc/27/87/88/590278788.db2.gz IABUBSSDGZCEGN-UHFFFAOYSA-N 0 3 249.314 0.610 20 10 BCCDHN C[C@H](CNC(=O)c1cccc(O)c1[O-])[NH+](C)C ZINC000126364044 590293542 /nfs/dbraw/zinc/29/35/42/590293542.db2.gz MAYQVGNHEVOEFY-MRVPVSSYSA-N 0 3 238.287 0.778 20 10 BCCDHN COC[C@H](O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877505352 590342532 /nfs/dbraw/zinc/34/25/32/590342532.db2.gz RZNAGKVLLDLDTB-LLVKDONJSA-N 0 3 225.288 0.798 20 10 BCCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000134223148 591903795 /nfs/dbraw/zinc/90/37/95/591903795.db2.gz NFMBZYRPTZMPGW-PWSUYJOCSA-N 0 3 223.272 0.550 20 10 BCCDHN Cc1ccc(O)c(CN[C@@H]2COC[C@@H]2O)c1 ZINC000134223148 591903797 /nfs/dbraw/zinc/90/37/97/591903797.db2.gz NFMBZYRPTZMPGW-PWSUYJOCSA-N 0 3 223.272 0.550 20 10 BCCDHN C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccccc1[O-] ZINC000089751447 642131654 /nfs/dbraw/zinc/13/16/54/642131654.db2.gz KVPDFJJVBRJDKX-WCBMZHEXSA-N 0 3 248.282 0.848 20 10 BCCDHN COC[C@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000069912943 642935474 /nfs/dbraw/zinc/93/54/74/642935474.db2.gz IUFVGKGDTITLSO-GFCCVEGCSA-N 0 3 225.288 0.879 20 10 BCCDHN C[C@H]([NH2+]CCc1nnnn1C)c1ccccc1[O-] ZINC000783520469 644755800 /nfs/dbraw/zinc/75/58/00/644755800.db2.gz QLVOHOGXDSCGMW-VIFPVBQESA-N 0 3 247.302 0.809 20 10 BCCDHN C[C@@H]([NH2+]CCc1nnnn1C)c1ccccc1[O-] ZINC000783520468 644756180 /nfs/dbraw/zinc/75/61/80/644756180.db2.gz QLVOHOGXDSCGMW-SECBINFHSA-N 0 3 247.302 0.809 20 10 BCCDHN [O-]c1ccccc1C[NH2+][C@@]1(CO)CCOC1 ZINC000184192194 711901082 /nfs/dbraw/zinc/90/10/82/711901082.db2.gz FQBWDCIHBRNATH-GFCCVEGCSA-N 0 3 223.272 0.633 20 10 BCCDHN CCNC(=O)C[NH2+]Cc1ccccc1[O-] ZINC000036780334 712494807 /nfs/dbraw/zinc/49/48/07/712494807.db2.gz DQZBXBWBJQWMQL-UHFFFAOYSA-N 0 3 208.261 0.618 20 10 BCCDHN CCOc1cccc(CNCC(=O)NC)c1O ZINC000037224842 343340558 /nfs/dbraw/zinc/34/05/58/343340558.db2.gz WLQGVLMUSOYGSG-UHFFFAOYSA-N 0 3 238.287 0.627 20 10 BCCDHN [O-]c1cc2c(cc1C[NH2+]CCCO)OCO2 ZINC000042879546 343456499 /nfs/dbraw/zinc/45/64/99/343456499.db2.gz CCWFVLPQHVDYLP-UHFFFAOYSA-N 0 3 225.244 0.593 20 10 BCCDHN Cc1cccc(C[NH2+][C@@]2(CO)CCOC2)c1[O-] ZINC000184191553 179100080 /nfs/dbraw/zinc/10/00/80/179100080.db2.gz UJNJAWWTUNRHGM-CYBMUJFWSA-N 0 3 237.299 0.942 20 10 BCCDHN OC[C@@]1(NCc2ccc3c(c2)CCO3)CCOC1 ZINC000184190185 183134323 /nfs/dbraw/zinc/13/43/23/183134323.db2.gz RHGIYMLCPNNMHG-AWEZNQCLSA-N 0 3 249.310 0.863 20 10 BCCDHN [O-]c1ccccc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000126186250 183304025 /nfs/dbraw/zinc/30/40/25/183304025.db2.gz WJFPPAUFABZUPQ-LBPRGKRZSA-N 0 3 223.272 0.633 20 10 BCCDHN COC[C@H](O)CNCc1ccc2c(c1)CCO2 ZINC000071266769 384158857 /nfs/dbraw/zinc/15/88/57/384158857.db2.gz ZZPCDWVFMSZUDS-GFCCVEGCSA-N 0 3 237.299 0.718 20 10 BCCDHN C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1[O-] ZINC000078640346 384454202 /nfs/dbraw/zinc/45/42/02/384454202.db2.gz VHYJXWNORSAZIT-SECBINFHSA-N 0 3 243.328 0.915 20 10 BCCDHN COC[C@H](O)CC[NH2+]Cc1ccccc1[O-] ZINC000127497065 384905465 /nfs/dbraw/zinc/90/54/65/384905465.db2.gz IMFPKADOCKJSKC-LLVKDONJSA-N 0 3 225.288 0.879 20 10 BCCDHN COC[C@H](CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000234794685 386101954 /nfs/dbraw/zinc/10/19/54/386101954.db2.gz DCTQHWBWQZPYQN-NSHDSACASA-N 0 3 225.288 0.798 20 10 BCCDHN C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(F)ccc1[O-] ZINC000295877886 388414410 /nfs/dbraw/zinc/41/44/10/388414410.db2.gz GSWIYNQCOMOINU-HNBZJPLGSA-N 0 3 241.262 0.942 20 10 BCCDHN CN1C[C@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC000263789078 173194707 /nfs/dbraw/zinc/19/47/07/173194707.db2.gz XFGTYMHPLGRCNT-SNVBAGLBSA-N 0 3 220.272 0.713 20 10 BCCDHN COc1cccc(C[NH2+][C@H](C)CO)c1[O-] ZINC000035603271 175267881 /nfs/dbraw/zinc/26/78/81/175267881.db2.gz WQPJRCOLHZMQHJ-MRVPVSSYSA-N 0 3 211.261 0.871 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1COCCN1 ZINC000530182264 323205723 /nfs/dbraw/zinc/20/57/23/323205723.db2.gz TUKUHFGNMZBFGJ-NSHDSACASA-N 0 3 240.278 0.609 20 10 BCCDHN Cc1cccc(C[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530182226 323205808 /nfs/dbraw/zinc/20/58/08/323205808.db2.gz SALDHLWVRMCDLX-LBPRGKRZSA-N 0 3 236.315 0.779 20 10 BCCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1COCO1 ZINC000894873273 583540379 /nfs/dbraw/zinc/54/03/79/583540379.db2.gz PYSCDFKTDIIHMU-VIFPVBQESA-N 0 3 239.271 0.863 20 10 BCCDHN Cc1cccc(C[NH+](CCO)CCO)c1[O-] ZINC000204923534 584012736 /nfs/dbraw/zinc/01/27/36/584012736.db2.gz MGRHUOYGZLXGDD-UHFFFAOYSA-N 0 3 225.288 0.487 20 10 BCCDHN Cc1cccc(CN(CCO)CCO)c1O ZINC000204923534 584012737 /nfs/dbraw/zinc/01/27/37/584012737.db2.gz MGRHUOYGZLXGDD-UHFFFAOYSA-N 0 3 225.288 0.487 20 10 BCCDHN [O-]c1ccc(F)cc1CN[C@@H]1CC[NH2+]C1 ZINC000841045263 584122203 /nfs/dbraw/zinc/12/22/03/584122203.db2.gz QSUCPQONSYNELN-SNVBAGLBSA-N 0 3 210.252 0.983 20 10 BCCDHN Nc1ccc(CCNC(=O)C2(N)CCC2)cc1 ZINC000832653320 587673687 /nfs/dbraw/zinc/67/36/87/587673687.db2.gz WVDVDNGHQACDNS-UHFFFAOYSA-N 0 3 233.315 0.809 20 10 BCCDHN CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)C[NH3+] ZINC000841093034 587946263 /nfs/dbraw/zinc/94/62/63/587946263.db2.gz PTZCJNANZXZFGE-JTQLQIEISA-N 0 3 244.722 0.797 20 10 BCCDHN CC(C)NCC(=O)NCCc1ccc(N)cc1 ZINC000851632231 588612040 /nfs/dbraw/zinc/61/20/40/588612040.db2.gz OCHORDIIYUCUOL-UHFFFAOYSA-N 0 3 235.331 0.926 20 10 BCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CNC(=O)C1 ZINC000851841913 588634248 /nfs/dbraw/zinc/63/42/48/588634248.db2.gz ZUCSMVNCCJRVGW-JTQLQIEISA-N 0 3 234.299 0.960 20 10 BCCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CNC(=O)C1 ZINC000851841913 588634249 /nfs/dbraw/zinc/63/42/49/588634249.db2.gz ZUCSMVNCCJRVGW-JTQLQIEISA-N 0 3 234.299 0.960 20 10 BCCDHN COc1cccc(CN(CCO)CCO)c1O ZINC000862430305 589212611 /nfs/dbraw/zinc/21/26/11/589212611.db2.gz UQLWPVZYXISGEO-UHFFFAOYSA-N 0 3 241.287 0.187 20 10 BCCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1COC[C@H]1O)CC2 ZINC000866419445 589491952 /nfs/dbraw/zinc/49/19/52/589491952.db2.gz CROSTDGPPBKYQL-JBLDHEPKSA-N 0 3 235.283 0.729 20 10 BCCDHN CN(C)C[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877077165 590278906 /nfs/dbraw/zinc/27/89/06/590278906.db2.gz YHSILQVCGZNZPZ-NSHDSACASA-N 0 3 236.319 0.121 20 10 BCCDHN C[C@@H]([NH3+])[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000132619165 591724910 /nfs/dbraw/zinc/72/49/10/591724910.db2.gz ZPYPLVJVYUBNJH-ZWNOBZJWSA-N 0 3 236.315 0.940 20 10 BCCDHN C[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000078072922 631336705 /nfs/dbraw/zinc/33/67/05/631336705.db2.gz AGZHDXBWFLKEFA-QMMMGPOBSA-N 0 3 207.277 0.275 20 10 BCCDHN CCOc1cccc(CN[C@H](C)C(N)=O)c1O ZINC000035793589 639948142 /nfs/dbraw/zinc/94/81/42/639948142.db2.gz DQYWZRCQKJSBOK-MRVPVSSYSA-N 0 3 238.287 0.754 20 10 BCCDHN C[C@H]([NH2+]C[C@@H](O)CO)c1ccccc1[O-] ZINC000085246040 643697441 /nfs/dbraw/zinc/69/74/41/643697441.db2.gz YYKTVORTIFKDIU-DTWKUNHWSA-N 0 3 211.261 0.396 20 10 BCCDHN Cn1nccc1[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000922974116 644210200 /nfs/dbraw/zinc/21/02/00/644210200.db2.gz UWYOSZQZNLCVBT-ZDUSSCGKSA-N 0 3 247.298 0.949 20 10 BCCDHN C[C@H](CC(N)=O)[NH2+]Cc1ccccc1[O-] ZINC000129341025 645839170 /nfs/dbraw/zinc/83/91/70/645839170.db2.gz ZJHQPOQWASEWDL-MRVPVSSYSA-N 0 3 208.261 0.746 20 10 BCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC000929975939 646383237 /nfs/dbraw/zinc/38/32/37/646383237.db2.gz KNVWYHCJZRNMDM-SNVBAGLBSA-N 0 3 211.261 0.177 20 10 BCCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC000929975939 646383241 /nfs/dbraw/zinc/38/32/41/646383241.db2.gz KNVWYHCJZRNMDM-SNVBAGLBSA-N 0 3 211.261 0.177 20 10 BCCDHN C[C@@H](N[C@@H]1CNOC1)c1ccccc1O ZINC000925863031 646515848 /nfs/dbraw/zinc/51/58/48/646515848.db2.gz GHCCRKCBNZBWDW-RKDXNWHRSA-N 0 3 208.261 0.946 20 10 BCCDHN C[C@@H]([NH2+][C@@H]1CNOC1)c1ccccc1[O-] ZINC000925863031 646515854 /nfs/dbraw/zinc/51/58/54/646515854.db2.gz GHCCRKCBNZBWDW-RKDXNWHRSA-N 0 3 208.261 0.946 20 10 BCCDHN O=C1NCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000710358145 711761101 /nfs/dbraw/zinc/76/11/01/711761101.db2.gz PSGFFTQQGVQROR-VIFPVBQESA-N 0 3 206.245 0.370 20 10 BCCDHN CN1C[C@@H](NCc2ccc3c(c2)CCO3)CC1=O ZINC000386308590 711027883 /nfs/dbraw/zinc/02/78/83/711027883.db2.gz GSAFAQAMXBJKAS-LBPRGKRZSA-N 0 3 246.310 0.942 20 10 BCCDHN COc1ccc(O)c(CNCc2c[nH]nn2)c1 ZINC000398311597 711408294 /nfs/dbraw/zinc/40/82/94/711408294.db2.gz YOBZPBZGOWEMFA-UHFFFAOYSA-N 0 3 234.259 0.809 20 10 BCCDHN Cc1cccc(CNCC(=O)N(C)C)c1O ZINC000163728926 179089772 /nfs/dbraw/zinc/08/97/72/179089772.db2.gz CPWWCUOQVQSZPA-UHFFFAOYSA-N 0 3 222.288 0.878 20 10 BCCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000370384151 187385513 /nfs/dbraw/zinc/38/55/13/187385513.db2.gz CKTSXLKYPCJSMF-GHMZBOCLSA-N 0 3 241.262 0.459 20 10 BCCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000370384151 187385515 /nfs/dbraw/zinc/38/55/15/187385515.db2.gz CKTSXLKYPCJSMF-GHMZBOCLSA-N 0 3 241.262 0.459 20 10 BCCDHN O=C(NCc1ccccc1O)[C@H]1C[C@H](F)CN1 ZINC000275550165 182258489 /nfs/dbraw/zinc/25/84/89/182258489.db2.gz SLZOPOFUDYRRNV-VHSXEESVSA-N 0 3 238.262 0.708 20 10 BCCDHN OCCOCCNCc1ccc2c(c1)CCO2 ZINC000037362925 183084740 /nfs/dbraw/zinc/08/47/40/183084740.db2.gz NELJJNZIYVUIHW-UHFFFAOYSA-N 0 3 237.299 0.720 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000180876838 183274563 /nfs/dbraw/zinc/27/45/63/183274563.db2.gz IUTUHGQGMRSNKS-LBPRGKRZSA-N 0 3 241.262 0.772 20 10 BCCDHN COC[C@@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296568729 384191154 /nfs/dbraw/zinc/19/11/54/384191154.db2.gz UXMNTZRHXUBYLI-MNOVXSKESA-N 0 3 237.299 0.976 20 10 BCCDHN c1cc(CNC[C@@H]2COCCN2)cc2c1OCC2 ZINC000258927078 384950957 /nfs/dbraw/zinc/95/09/57/384950957.db2.gz OAVQPIQTRTULJW-CYBMUJFWSA-N 0 3 248.326 0.700 20 10 BCCDHN COC[C@@H](CO)NCc1ccc(N(C)C)cc1 ZINC000234870864 386111457 /nfs/dbraw/zinc/11/14/57/386111457.db2.gz ONGCGMCLTUJCEM-GFCCVEGCSA-N 0 3 238.331 0.850 20 10 BCCDHN COC[C@@H](CO)NCc1ccc2c(c1)CCO2 ZINC000234876935 386112299 /nfs/dbraw/zinc/11/22/99/386112299.db2.gz AIHJENJWBAKCGE-GFCCVEGCSA-N 0 3 237.299 0.718 20 10 BCCDHN COC[C@H](CO)NCc1cc(OC)ccc1O ZINC000234788347 386098445 /nfs/dbraw/zinc/09/84/45/386098445.db2.gz QTGBZLLXTYKNOH-JTQLQIEISA-N 0 3 241.287 0.498 20 10 BCCDHN CNCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000237192065 386365453 /nfs/dbraw/zinc/36/54/53/386365453.db2.gz LVDSYVBTMFCBKQ-UHFFFAOYSA-N 0 3 249.314 0.697 20 10 BCCDHN COC[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000234873516 388362061 /nfs/dbraw/zinc/36/20/61/388362061.db2.gz BTWMXGDRSYLYFL-SNVBAGLBSA-N 0 3 211.261 0.489 20 10 BCCDHN C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(F)ccc1[O-] ZINC000295877891 388414569 /nfs/dbraw/zinc/41/45/69/388414569.db2.gz GSWIYNQCOMOINU-NYRNMGCKSA-N 0 3 241.262 0.942 20 10 BCCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1COCCN1)CC2 ZINC000530227812 388635435 /nfs/dbraw/zinc/63/54/35/388635435.db2.gz VXOFUAVIZXWMOU-NWDGAFQWSA-N 0 3 248.326 0.958 20 10 BCCDHN CCNC(=O)CNCc1ccc(N(C)C)cc1 ZINC000035134180 170064930 /nfs/dbraw/zinc/06/49/30/170064930.db2.gz VQQDTRNAALXJFW-UHFFFAOYSA-N 0 3 235.331 0.978 20 10 BCCDHN CN(C)C(=O)CNCc1ccc(N(C)C)cc1 ZINC000037207310 172369859 /nfs/dbraw/zinc/36/98/59/172369859.db2.gz LPCNOYJVHRCKBB-UHFFFAOYSA-N 0 3 235.331 0.930 20 10 BCCDHN CNC(=O)CNCc1cc(C)ccc1O ZINC000070955140 173277251 /nfs/dbraw/zinc/27/72/51/173277251.db2.gz MWFCJBKCUMNIEM-UHFFFAOYSA-N 0 3 208.261 0.536 20 10 BCCDHN CNCC(=O)NCc1ccc(N(C)C)cc1 ZINC000040419291 173330763 /nfs/dbraw/zinc/33/07/63/173330763.db2.gz XIMVXKWYLKQWCT-UHFFFAOYSA-N 0 3 221.304 0.588 20 10 BCCDHN COC[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297589484 174498705 /nfs/dbraw/zinc/49/87/05/174498705.db2.gz HOGJOCYCRLFWFJ-QWRGUYRKSA-N 0 3 237.299 0.976 20 10 BCCDHN COc1ccc(CNC(CO)CO)cc1C ZINC000083691748 175105152 /nfs/dbraw/zinc/10/51/52/175105152.db2.gz AWKHGVPIBPFUMG-UHFFFAOYSA-N 0 3 225.288 0.446 20 10 BCCDHN COc1ccc(CNC[C@@H](O)CO)cc1C ZINC000083353966 175107422 /nfs/dbraw/zinc/10/74/22/175107422.db2.gz HWHMSOBAHIIHCI-LLVKDONJSA-N 0 3 225.288 0.446 20 10 BCCDHN COc1ccc(CN[C@@H]2COC[C@H]2O)cc1C ZINC000295664848 175110455 /nfs/dbraw/zinc/11/04/55/175110455.db2.gz QUQSODGRGTYFOX-VXGBXAGGSA-N 0 3 237.299 0.853 20 10 BCCDHN COc1ccc([O-])c(C[NH2+]CCCO)c1 ZINC000020188661 175158668 /nfs/dbraw/zinc/15/86/68/175158668.db2.gz ZPMNFWJVEREWNI-UHFFFAOYSA-N 0 3 211.261 0.873 20 10 BCCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CO)c1 ZINC000035602237 175158678 /nfs/dbraw/zinc/15/86/78/175158678.db2.gz GOMMHQKSLPZWMO-QMMMGPOBSA-N 0 3 211.261 0.871 20 10 BCCDHN COc1cccc(CNCC(=O)N(C)C)c1O ZINC000037225412 175263438 /nfs/dbraw/zinc/26/34/38/175263438.db2.gz STBMISITGPLMFJ-UHFFFAOYSA-N 0 3 238.287 0.579 20 10 BCCDHN COc1cccc(C[NH2+][C@@H](C)CO)c1[O-] ZINC000035603269 175265751 /nfs/dbraw/zinc/26/57/51/175265751.db2.gz WQPJRCOLHZMQHJ-QMMMGPOBSA-N 0 3 211.261 0.871 20 10 BCCDHN Nc1ccc(NC(=O)[C@]2(F)CCNC2)cc1 ZINC000160460329 487884520 /nfs/dbraw/zinc/88/45/20/487884520.db2.gz YLHNEBDOQKPCKS-NSHDSACASA-N 0 3 223.251 0.909 20 10 BCCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2COCCN2)c1 ZINC000530181299 324512648 /nfs/dbraw/zinc/51/26/48/324512648.db2.gz LMHIJYWNYQIFEC-GFCCVEGCSA-N 0 3 236.315 0.779 20 10 BCCDHN COc1ccc(C[NH2+]CCO)c([O-])c1OC ZINC000893324788 583100961 /nfs/dbraw/zinc/10/09/61/583100961.db2.gz YVJDZPGFLGBGSJ-UHFFFAOYSA-N 0 3 227.260 0.491 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895649655 583699748 /nfs/dbraw/zinc/69/97/48/583699748.db2.gz RSEQYIBBEMQSBI-JQWIXIFHSA-N 0 3 205.257 0.959 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895649655 583699750 /nfs/dbraw/zinc/69/97/50/583699750.db2.gz RSEQYIBBEMQSBI-JQWIXIFHSA-N 0 3 205.257 0.959 20 10 BCCDHN [O-]c1ccccc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858338186 588946868 /nfs/dbraw/zinc/94/68/68/588946868.db2.gz DJNAIJXPXIECBZ-LBPRGKRZSA-N 0 3 236.315 0.548 20 10 BCCDHN Oc1ccc(F)cc1CN[C@@H]1CNOC1 ZINC000904424923 584880740 /nfs/dbraw/zinc/88/07/40/584880740.db2.gz QNZNPCYBJFSPIO-SECBINFHSA-N 0 3 212.224 0.524 20 10 BCCDHN Cc1cccc(C[NH2+]CCc2nnnn2C)c1[O-] ZINC000776256947 585693817 /nfs/dbraw/zinc/69/38/17/585693817.db2.gz UMOICXSVTRBCSE-UHFFFAOYSA-N 0 3 247.302 0.556 20 10 BCCDHN Nc1ccc(CCNC(=O)CNC2CC2)cc1 ZINC000818545020 586899630 /nfs/dbraw/zinc/89/96/30/586899630.db2.gz AXDPXNGSFODAQR-UHFFFAOYSA-N 0 3 233.315 0.680 20 10 BCCDHN [O-]c1ccc(F)cc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841079111 587945002 /nfs/dbraw/zinc/94/50/02/587945002.db2.gz YNSCZMNZRRGGON-IAZYJMLFSA-N 0 3 222.263 0.839 20 10 BCCDHN COc1ccc(O)c(CN(CCO)CCO)c1 ZINC000862429129 589212545 /nfs/dbraw/zinc/21/25/45/589212545.db2.gz BIAVLBBSKFLBNG-UHFFFAOYSA-N 0 3 241.287 0.187 20 10 BCCDHN CN(C)c1ccc(CNC[C@H]2COCCN2)cc1 ZINC000863484091 589293061 /nfs/dbraw/zinc/29/30/61/589293061.db2.gz SZTPKWRXJZEOPU-ZDUSSCGKSA-N 0 3 249.358 0.831 20 10 BCCDHN CN(C)C[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000876504653 590204036 /nfs/dbraw/zinc/20/40/36/590204036.db2.gz RYZHFHYFONDODI-JTQLQIEISA-N 0 3 222.292 0.096 20 10 BCCDHN C[NH+](C)CCCNC(=O)c1cccc(O)c1[O-] ZINC000126229185 590254883 /nfs/dbraw/zinc/25/48/83/590254883.db2.gz QXLAWLYLIDCYAW-UHFFFAOYSA-N 0 3 238.287 0.779 20 10 BCCDHN CO[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1O ZINC000877569852 590362199 /nfs/dbraw/zinc/36/21/99/590362199.db2.gz BRPDBMQATQAPRH-CHWSQXEVSA-N 0 3 237.299 0.892 20 10 BCCDHN CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1O ZINC000877569852 590362202 /nfs/dbraw/zinc/36/22/02/590362202.db2.gz BRPDBMQATQAPRH-CHWSQXEVSA-N 0 3 237.299 0.892 20 10 BCCDHN Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)c([O-])c1 ZINC000877658011 590386089 /nfs/dbraw/zinc/38/60/89/590386089.db2.gz LIBIOYRHHSUPAE-DGCLKSJQSA-N 0 3 237.299 0.940 20 10 BCCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCOC1)OCO2 ZINC000131243342 591577692 /nfs/dbraw/zinc/57/76/92/591577692.db2.gz PWGRQLQANPSZCZ-SECBINFHSA-N 0 3 237.255 0.999 20 10 BCCDHN C[C@H]([NH3+])[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000132618570 591724259 /nfs/dbraw/zinc/72/42/59/591724259.db2.gz ZPYPLVJVYUBNJH-GWCFXTLKSA-N 0 3 236.315 0.940 20 10 BCCDHN C[C@@H](CC(N)=O)NCc1ccc2c(c1)CCO2 ZINC000135729271 592042423 /nfs/dbraw/zinc/04/24/23/592042423.db2.gz CRUIMHNQWWWCKV-VIFPVBQESA-N 0 3 234.299 0.975 20 10 BCCDHN Cc1cc(N(C)C)ccc1CNC(=O)CN ZINC000237056669 635729949 /nfs/dbraw/zinc/72/99/49/635729949.db2.gz SOOVLHIHUOCCIC-UHFFFAOYSA-N 0 3 221.304 0.636 20 10 BCCDHN CN(C(=O)C[C@H]1CNCCO1)c1ccc(N)cc1 ZINC000140158494 635871897 /nfs/dbraw/zinc/87/18/97/635871897.db2.gz JENKURIKMGGPAN-LBPRGKRZSA-N 0 3 249.314 0.610 20 10 BCCDHN [O-]c1ccccc1C[NH2+][C@H]1COC[C@H]1O ZINC000162912162 635185219 /nfs/dbraw/zinc/18/52/19/635185219.db2.gz DUVBMVKRFDWAID-GXSJLCMTSA-N 0 3 209.245 0.242 20 10 BCCDHN COc1cccc([O-])c1C[NH2+]CCCON ZINC000904455899 637416673 /nfs/dbraw/zinc/41/66/73/637416673.db2.gz AMHLHHVEHKBGEM-UHFFFAOYSA-N 0 3 226.276 0.771 20 10 BCCDHN C[C@@H]([NH2+]C[C@@H](O)[C@H](C)O)c1ccccc1[O-] ZINC000931555209 640272228 /nfs/dbraw/zinc/27/22/28/640272228.db2.gz VFCKCBQABNESJO-VDDIYKPWSA-N 0 3 225.288 0.785 20 10 BCCDHN C[C@@H](O)[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000931555207 640272736 /nfs/dbraw/zinc/27/27/36/640272736.db2.gz VFCKCBQABNESJO-LNLATYFQSA-N 0 3 225.288 0.785 20 10 BCCDHN COCC[C@@H](N)C(=O)NCc1ccccc1O ZINC000228420342 640873405 /nfs/dbraw/zinc/87/34/05/640873405.db2.gz IKQIBJHAHCAJHV-SNVBAGLBSA-N 0 3 238.287 0.372 20 10 BCCDHN COCCNCC(=O)NCc1ccccc1O ZINC000228422394 640873664 /nfs/dbraw/zinc/87/36/64/640873664.db2.gz SEXSTQBBYJVECP-UHFFFAOYSA-N 0 3 238.287 0.244 20 10 BCCDHN C[C@H](N[C@@H]1CNOC1)c1ccccc1O ZINC000925863030 646516968 /nfs/dbraw/zinc/51/69/68/646516968.db2.gz GHCCRKCBNZBWDW-DTWKUNHWSA-N 0 3 208.261 0.946 20 10 BCCDHN C[C@H]([NH2+][C@@H]1CNOC1)c1ccccc1[O-] ZINC000925863030 646516971 /nfs/dbraw/zinc/51/69/71/646516971.db2.gz GHCCRKCBNZBWDW-DTWKUNHWSA-N 0 3 208.261 0.946 20 10 BCCDHN Cc1ccc(O)c(CNC2(C(N)=O)CC2)c1 ZINC000381359968 710626395 /nfs/dbraw/zinc/62/63/95/710626395.db2.gz FKDXHWCYGROEFX-UHFFFAOYSA-N 0 3 220.272 0.808 20 10 BCCDHN C[C@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000381355156 710626597 /nfs/dbraw/zinc/62/65/97/710626597.db2.gz COWNRBXXMJMOES-YUMQZZPRSA-N 0 3 208.261 0.917 20 10 BCCDHN CN1CCOC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000700243951 711989044 /nfs/dbraw/zinc/98/90/44/711989044.db2.gz NPNOEAOWBSZNLB-GFCCVEGCSA-N 0 3 236.315 0.812 20 10 BCCDHN CO[C@](C)(CO)C[NH2+]Cc1ccccc1[O-] ZINC000702531786 712055261 /nfs/dbraw/zinc/05/52/61/712055261.db2.gz LQYLTZKUIHAEDQ-LBPRGKRZSA-N 0 3 225.288 0.879 20 10 BCCDHN NC(C(=O)NCc1ccccc1O)C(F)(F)F ZINC000705242197 712126440 /nfs/dbraw/zinc/12/64/40/712126440.db2.gz AHNZSVCXOLTFSD-QMMMGPOBSA-N 0 3 248.204 0.898 20 10 BCCDHN O[C@@H]1CCOC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000710859832 712259742 /nfs/dbraw/zinc/25/97/42/712259742.db2.gz IRTJWRMPBGPALX-CHWSQXEVSA-N 0 3 249.310 0.861 20 10 BCCDHN Cc1cccc(C[N@H+](CCO)CCCO)c1[O-] ZINC000271754111 179071434 /nfs/dbraw/zinc/07/14/34/179071434.db2.gz WPHVRYKIWRTTGX-UHFFFAOYSA-N 0 3 239.315 0.877 20 10 BCCDHN Cc1cccc(C[N@@H+](CCO)CCCO)c1[O-] ZINC000271754111 179071436 /nfs/dbraw/zinc/07/14/36/179071436.db2.gz WPHVRYKIWRTTGX-UHFFFAOYSA-N 0 3 239.315 0.877 20 10 BCCDHN [O-]c1cc2c(cc1C[NH2+]CCCCO)OCO2 ZINC000193281182 183052940 /nfs/dbraw/zinc/05/29/40/183052940.db2.gz FLYCOOGGOBPPGL-UHFFFAOYSA-N 0 3 239.271 0.983 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000359973386 183130049 /nfs/dbraw/zinc/13/00/49/183130049.db2.gz KYEWFXUMHLTRNQ-WDEREUQCSA-N 0 3 223.272 0.320 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000359973386 183130052 /nfs/dbraw/zinc/13/00/52/183130052.db2.gz KYEWFXUMHLTRNQ-WDEREUQCSA-N 0 3 223.272 0.320 20 10 BCCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1COCCO1 ZINC000038060166 183303176 /nfs/dbraw/zinc/30/31/76/183303176.db2.gz UOKKJZJXGMAZSS-LLVKDONJSA-N 0 3 223.272 0.897 20 10 BCCDHN COC[C@@H](O)CNCc1ccc2c(c1)CCO2 ZINC000071266771 384159200 /nfs/dbraw/zinc/15/92/00/384159200.db2.gz ZZPCDWVFMSZUDS-LBPRGKRZSA-N 0 3 237.299 0.718 20 10 BCCDHN CN(Cc1ccccc1O)C(=O)C1(N)CC1 ZINC000083834996 384801082 /nfs/dbraw/zinc/80/10/82/384801082.db2.gz GNYGNANFFVSFRY-UHFFFAOYSA-N 0 3 220.272 0.842 20 10 BCCDHN c1cc(CNC[C@H]2COCCN2)cc2c1OCC2 ZINC000258927083 384950117 /nfs/dbraw/zinc/95/01/17/384950117.db2.gz OAVQPIQTRTULJW-ZDUSSCGKSA-N 0 3 248.326 0.700 20 10 BCCDHN COC[C@H](CCO)[NH2+]Cc1ccccc1[O-] ZINC000164301779 384960460 /nfs/dbraw/zinc/96/04/60/384960460.db2.gz ILQIGZTXMWVUDA-NSHDSACASA-N 0 3 225.288 0.879 20 10 BCCDHN CN(CCO)Cc1cc2c(cc1O)OCO2 ZINC000127929388 384964949 /nfs/dbraw/zinc/96/49/49/384964949.db2.gz NSVSBWRWYGLGMV-UHFFFAOYSA-N 0 3 225.244 0.545 20 10 BCCDHN CNC(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000044987948 385232887 /nfs/dbraw/zinc/23/28/87/385232887.db2.gz YTGMFRIPRJHOHG-UHFFFAOYSA-N 0 3 208.261 0.618 20 10 BCCDHN O=C1CC[N@H+](Cc2ccccc2[O-])CCN1 ZINC000179570585 385474059 /nfs/dbraw/zinc/47/40/59/385474059.db2.gz BTMBFZFJUFMWKO-UHFFFAOYSA-N 0 3 220.272 0.714 20 10 BCCDHN O=C1CC[N@@H+](Cc2ccccc2[O-])CCN1 ZINC000179570585 385474065 /nfs/dbraw/zinc/47/40/65/385474065.db2.gz BTMBFZFJUFMWKO-UHFFFAOYSA-N 0 3 220.272 0.714 20 10 BCCDHN C[C@@H](CO)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000289498094 386316972 /nfs/dbraw/zinc/31/69/72/386316972.db2.gz SOHCMKHHCKUILH-QMMMGPOBSA-N 0 3 239.271 0.934 20 10 BCCDHN C[C@@H](CO)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000289498094 386316976 /nfs/dbraw/zinc/31/69/76/386316976.db2.gz SOHCMKHHCKUILH-QMMMGPOBSA-N 0 3 239.271 0.934 20 10 BCCDHN CNC(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226587901 386336729 /nfs/dbraw/zinc/33/67/29/386336729.db2.gz RDODPICSTVBGEM-UHFFFAOYSA-N 0 3 226.251 0.757 20 10 BCCDHN CO[C@H](CN)C(=O)N(C)Cc1ccccc1O ZINC000227368619 386478397 /nfs/dbraw/zinc/47/83/97/386478397.db2.gz ACIXRHQJFWDRKE-LLVKDONJSA-N 0 3 238.287 0.324 20 10 BCCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000359975639 387791068 /nfs/dbraw/zinc/79/10/68/387791068.db2.gz RGQHSMHCXLASKB-NEPJUHHUSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000359975639 387791072 /nfs/dbraw/zinc/79/10/72/387791072.db2.gz RGQHSMHCXLASKB-NEPJUHHUSA-N 0 3 237.299 0.628 20 10 BCCDHN COCC[N@H+](CCO)Cc1ccccc1[O-] ZINC000128552316 174295398 /nfs/dbraw/zinc/29/53/98/174295398.db2.gz LLSHCVPPUISUCD-UHFFFAOYSA-N 0 3 225.288 0.833 20 10 BCCDHN COCC[N@@H+](CCO)Cc1ccccc1[O-] ZINC000128552316 174295399 /nfs/dbraw/zinc/29/53/99/174295399.db2.gz LLSHCVPPUISUCD-UHFFFAOYSA-N 0 3 225.288 0.833 20 10 BCCDHN COc1ccc(O)c(CN2CC[C@H](O)C2)c1 ZINC000132492683 175156972 /nfs/dbraw/zinc/15/69/72/175156972.db2.gz GUJAJZJZTKSCFA-JTQLQIEISA-N 0 3 223.272 0.967 20 10 BCCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000132492683 175156974 /nfs/dbraw/zinc/15/69/74/175156974.db2.gz GUJAJZJZTKSCFA-JTQLQIEISA-N 0 3 223.272 0.967 20 10 BCCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000132492683 175156975 /nfs/dbraw/zinc/15/69/75/175156975.db2.gz GUJAJZJZTKSCFA-JTQLQIEISA-N 0 3 223.272 0.967 20 10 BCCDHN COc1ccc([O-])c(C[NH2+]CCOCCO)c1 ZINC000020199292 175159038 /nfs/dbraw/zinc/15/90/38/175159038.db2.gz VBRQBYWOWDNHDT-UHFFFAOYSA-N 0 3 241.287 0.499 20 10 BCCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C(=O)NCCF ZINC000282670405 176877146 /nfs/dbraw/zinc/87/71/46/176877146.db2.gz MUJFGXXRTVHRPB-VIFPVBQESA-N 0 3 240.278 0.956 20 10 BCCDHN Cc1cccc(C[NH2+][C@]2(CO)CCOC2)c1[O-] ZINC000184191537 487876520 /nfs/dbraw/zinc/87/65/20/487876520.db2.gz UJNJAWWTUNRHGM-ZDUSSCGKSA-N 0 3 237.299 0.942 20 10 BCCDHN COc1ccc(C[NH2+]C[C@@H](C)O)c([O-])c1OC ZINC000893233480 583075919 /nfs/dbraw/zinc/07/59/19/583075919.db2.gz SCSZAAMANWRIEZ-MRVPVSSYSA-N 0 3 241.287 0.880 20 10 BCCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1COCO1 ZINC000894871246 583539428 /nfs/dbraw/zinc/53/94/28/583539428.db2.gz RWGBHWNQYAUBQM-SNVBAGLBSA-N 0 3 209.245 0.855 20 10 BCCDHN [O-]c1ccccc1C[NH2+]C[C@H]1COCO1 ZINC000894871245 583539758 /nfs/dbraw/zinc/53/97/58/583539758.db2.gz RWGBHWNQYAUBQM-JTQLQIEISA-N 0 3 209.245 0.855 20 10 BCCDHN Cc1ccc(C[NH2+]CCN2CCNC2=O)c([O-])c1 ZINC000895810982 583730359 /nfs/dbraw/zinc/73/03/59/583730359.db2.gz APZGFGHTPDVICT-UHFFFAOYSA-N 0 3 249.314 0.815 20 10 BCCDHN CCOc1ccc(C[NH2+][C@H](C)C(N)=O)c([O-])c1 ZINC000775202036 585673345 /nfs/dbraw/zinc/67/33/45/585673345.db2.gz YNSGHIGOVZAQCH-MRVPVSSYSA-N 0 3 238.287 0.754 20 10 BCCDHN CN(C)c1ccc(CNCCC(N)=O)cc1F ZINC000776932808 585707081 /nfs/dbraw/zinc/70/70/81/585707081.db2.gz SZCRYPWHKVEKLK-UHFFFAOYSA-N 0 3 239.294 0.857 20 10 BCCDHN CC(C)[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC000817417945 586803352 /nfs/dbraw/zinc/80/33/52/586803352.db2.gz VJCKSXVGYMLNRF-LBPRGKRZSA-N 0 3 239.315 0.956 20 10 BCCDHN CC(C)[N@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC000817417945 586803354 /nfs/dbraw/zinc/80/33/54/586803354.db2.gz VJCKSXVGYMLNRF-LBPRGKRZSA-N 0 3 239.315 0.956 20 10 BCCDHN COc1cccc([O-])c1CN(C)CC[NH3+] ZINC000841099857 587946578 /nfs/dbraw/zinc/94/65/78/587946578.db2.gz PJLBEUIXPHDICI-UHFFFAOYSA-N 0 3 210.277 0.791 20 10 BCCDHN C[C@@H](O)[C@@H](CO)NCc1ccc2c(c1)CCO2 ZINC000842220719 588007353 /nfs/dbraw/zinc/00/73/53/588007353.db2.gz HHLVNMAJCQTGMN-BXKDBHETSA-N 0 3 237.299 0.453 20 10 BCCDHN COc1cccc([O-])c1CN(C)C1C[NH2+]C1 ZINC000843124649 588083224 /nfs/dbraw/zinc/08/32/24/588083224.db2.gz IJUKPENDEMDLFZ-UHFFFAOYSA-N 0 3 222.288 0.804 20 10 BCCDHN Cc1cc(CNC(CO)CO)ccc1N(C)C ZINC000846942275 588297704 /nfs/dbraw/zinc/29/77/04/588297704.db2.gz UZPOIGMHWISOME-UHFFFAOYSA-N 0 3 238.331 0.504 20 10 BCCDHN COc1ccc([O-])c(CNC2=[NH+]CCN2C)c1 ZINC000849008910 588434114 /nfs/dbraw/zinc/43/41/14/588434114.db2.gz JOMVIKDYMXGBDT-UHFFFAOYSA-N 0 3 235.287 0.792 20 10 BCCDHN COc1ccc(N2CC[C@H](NC(=O)CN)C2)cc1 ZINC000852900702 588712335 /nfs/dbraw/zinc/71/23/35/588712335.db2.gz QAEDOUVOHSTURN-JTQLQIEISA-N 0 3 249.314 0.349 20 10 BCCDHN CCc1cccc(C[NH+](CCO)CCO)c1[O-] ZINC000862430047 589212361 /nfs/dbraw/zinc/21/23/61/589212361.db2.gz PARDLQXZXXPKBF-UHFFFAOYSA-N 0 3 239.315 0.741 20 10 BCCDHN CCc1cccc(CN(CCO)CCO)c1O ZINC000862430047 589212363 /nfs/dbraw/zinc/21/23/63/589212363.db2.gz PARDLQXZXXPKBF-UHFFFAOYSA-N 0 3 239.315 0.741 20 10 BCCDHN Cc1cc(O)c(CN(CCO)CCO)cc1C ZINC000862429443 589212552 /nfs/dbraw/zinc/21/25/52/589212552.db2.gz ICKRSXSIEHIFJB-UHFFFAOYSA-N 0 3 239.315 0.796 20 10 BCCDHN Cc1cc([O-])c(C[NH+](CCO)CCO)cc1C ZINC000862429443 589212554 /nfs/dbraw/zinc/21/25/54/589212554.db2.gz ICKRSXSIEHIFJB-UHFFFAOYSA-N 0 3 239.315 0.796 20 10 BCCDHN CN(C)c1ccc(CNC[C@@H]2COCCN2)cc1 ZINC000863484090 589293112 /nfs/dbraw/zinc/29/31/12/589293112.db2.gz SZTPKWRXJZEOPU-CYBMUJFWSA-N 0 3 249.358 0.831 20 10 BCCDHN COC[C@H](N)Cc1cn(-c2ccc(N)cc2)nn1 ZINC000864619612 589384080 /nfs/dbraw/zinc/38/40/80/589384080.db2.gz GTICHBUJDHSHCD-SNVBAGLBSA-N 0 3 247.302 0.366 20 10 BCCDHN C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000866419650 589491577 /nfs/dbraw/zinc/49/15/77/589491577.db2.gz GSWIYNQCOMOINU-XXFPWJFMSA-N 0 3 241.262 0.942 20 10 BCCDHN CCNCC(=O)N(C)c1ccc(N)cc1 ZINC000877079317 590279611 /nfs/dbraw/zinc/27/96/11/590279611.db2.gz XJDZERKGXWDYKG-UHFFFAOYSA-N 0 3 207.277 0.841 20 10 BCCDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c([O-])c1 ZINC000877750203 590414266 /nfs/dbraw/zinc/41/42/66/590414266.db2.gz JUGVZFHTPWVIDK-YPMHNXCESA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c([O-])c1 ZINC000877750203 590414269 /nfs/dbraw/zinc/41/42/69/590414269.db2.gz JUGVZFHTPWVIDK-YPMHNXCESA-N 0 3 237.299 0.628 20 10 BCCDHN C[C@@H]([NH2+]CCn1cnnn1)c1ccccc1[O-] ZINC000879650376 590843577 /nfs/dbraw/zinc/84/35/77/590843577.db2.gz XPQIZBVRBUSKKC-SECBINFHSA-N 0 3 233.275 0.730 20 10 BCCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCOC1)OCO2 ZINC000131243558 591578107 /nfs/dbraw/zinc/57/81/07/591578107.db2.gz PWGRQLQANPSZCZ-VIFPVBQESA-N 0 3 237.255 0.999 20 10 BCCDHN Oc1cccc2c1[C@H](N[C@@H]1CNOC1)CC2 ZINC000925859977 635554576 /nfs/dbraw/zinc/55/45/76/635554576.db2.gz MAVRSFRZEIOBBT-NXEZZACHSA-N 0 3 220.272 0.873 20 10 BCCDHN C[C@@H](N[C@H]1CNOC1)c1ccccc1O ZINC000925870554 635585127 /nfs/dbraw/zinc/58/51/27/635585127.db2.gz GHCCRKCBNZBWDW-BDAKNGLRSA-N 0 3 208.261 0.946 20 10 BCCDHN C[C@@H]([NH2+][C@H]1CNOC1)c1ccccc1[O-] ZINC000925870554 635585136 /nfs/dbraw/zinc/58/51/36/635585136.db2.gz GHCCRKCBNZBWDW-BDAKNGLRSA-N 0 3 208.261 0.946 20 10 BCCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(N)=O ZINC000035793680 639948270 /nfs/dbraw/zinc/94/82/70/639948270.db2.gz PKCKPEDHGGCMQK-JGVFFNPUSA-N 0 3 208.261 0.917 20 10 BCCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(N)=O ZINC000035793684 639948983 /nfs/dbraw/zinc/94/89/83/639948983.db2.gz PKCKPEDHGGCMQK-HTQZYQBOSA-N 0 3 208.261 0.917 20 10 BCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC000929970734 642035396 /nfs/dbraw/zinc/03/53/96/642035396.db2.gz KNVWYHCJZRNMDM-JTQLQIEISA-N 0 3 211.261 0.177 20 10 BCCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC000929970734 642035403 /nfs/dbraw/zinc/03/54/03/642035403.db2.gz KNVWYHCJZRNMDM-JTQLQIEISA-N 0 3 211.261 0.177 20 10 BCCDHN Nc1ccc(NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000238140657 642786800 /nfs/dbraw/zinc/78/68/00/642786800.db2.gz HZWFHUFSQYYEQA-GFCCVEGCSA-N 0 3 249.314 0.976 20 10 BCCDHN CC[C@@H](N)C(=O)NCc1ccc(OC)cc1O ZINC000083365743 643442329 /nfs/dbraw/zinc/44/23/29/643442329.db2.gz OYYYWGNZTPGXAI-SNVBAGLBSA-N 0 3 238.287 0.754 20 10 BCCDHN CN1C(=O)CC[C@@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000090024289 644576310 /nfs/dbraw/zinc/57/63/10/644576310.db2.gz NAJWMHCBBNLRKS-SNVBAGLBSA-N 0 3 248.282 0.629 20 10 BCCDHN Oc1ccccc1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000846067994 645397012 /nfs/dbraw/zinc/39/70/12/645397012.db2.gz OFAMTWQIOCMMGF-CYBMUJFWSA-N 0 3 248.326 0.643 20 10 BCCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC000929752706 646282414 /nfs/dbraw/zinc/28/24/14/646282414.db2.gz DZWFQNZJQIQSOX-LBPRGKRZSA-N 0 3 239.315 0.957 20 10 BCCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CO ZINC000929752706 646282423 /nfs/dbraw/zinc/28/24/23/646282423.db2.gz DZWFQNZJQIQSOX-LBPRGKRZSA-N 0 3 239.315 0.957 20 10 BCCDHN C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccccc1[O-] ZINC000381328646 710623140 /nfs/dbraw/zinc/62/31/40/710623140.db2.gz SCRLTYWXDCFJAL-SCZZXKLOSA-N 0 3 220.272 0.931 20 10 BCCDHN CON(C)C(=O)CNCc1cc(C)ccc1O ZINC000397526926 711385234 /nfs/dbraw/zinc/38/52/34/711385234.db2.gz RIRWVYIFCFTFMH-UHFFFAOYSA-N 0 3 238.287 0.810 20 10 BCCDHN C[C@@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879734 343456716 /nfs/dbraw/zinc/45/67/16/343456716.db2.gz DENFZHAKKBJJIR-ZETCQYMHSA-N 0 3 225.244 0.591 20 10 BCCDHN NCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000083884418 181353696 /nfs/dbraw/zinc/35/36/96/181353696.db2.gz FEFMELGFVVBHEQ-UHFFFAOYSA-N 0 3 233.315 0.862 20 10 BCCDHN COC[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000070589594 383938639 /nfs/dbraw/zinc/93/86/39/383938639.db2.gz QYOUYRWDPBMYJL-SNVBAGLBSA-N 0 3 211.261 0.489 20 10 BCCDHN COC[C@H](O)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000071264987 384156710 /nfs/dbraw/zinc/15/67/10/384156710.db2.gz QEHOLTYNEFIOPK-SNVBAGLBSA-N 0 3 241.287 0.498 20 10 BCCDHN NCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000082275101 384655981 /nfs/dbraw/zinc/65/59/81/384655981.db2.gz KGWNZQNBQFEWDB-UHFFFAOYSA-N 0 3 249.314 0.098 20 10 BCCDHN [O-]c1ccccc1C[N@@H+](CCO)CCCO ZINC000128553022 385049447 /nfs/dbraw/zinc/04/94/47/385049447.db2.gz PUALNHNLZQKPQA-UHFFFAOYSA-N 0 3 225.288 0.569 20 10 BCCDHN [O-]c1ccccc1C[N@H+](CCO)CCCO ZINC000128553022 385049448 /nfs/dbraw/zinc/04/94/48/385049448.db2.gz PUALNHNLZQKPQA-UHFFFAOYSA-N 0 3 225.288 0.569 20 10 BCCDHN COC[C@@H](CO)NCc1cc(OC)ccc1O ZINC000234868148 386111902 /nfs/dbraw/zinc/11/19/02/386111902.db2.gz QTGBZLLXTYKNOH-SNVBAGLBSA-N 0 3 241.287 0.498 20 10 BCCDHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])NC1CC1 ZINC000236560030 386285397 /nfs/dbraw/zinc/28/53/97/386285397.db2.gz GENIXWICQQBETL-UHFFFAOYSA-N 0 3 238.262 0.900 20 10 BCCDHN [O-]c1ccccc1C[NH2+]C[C@H]1COCCN1 ZINC000530180825 388622873 /nfs/dbraw/zinc/62/28/73/388622873.db2.gz BYSHZYMURBODLP-NSHDSACASA-N 0 3 222.288 0.470 20 10 BCCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1COCCN1)CC2 ZINC000530227811 388635627 /nfs/dbraw/zinc/63/56/27/388635627.db2.gz VXOFUAVIZXWMOU-NEPJUHHUSA-N 0 3 248.326 0.958 20 10 BCCDHN CN1CCN(C)[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000068801404 173075761 /nfs/dbraw/zinc/07/57/61/173075761.db2.gz RGOPXECFBGNPRH-CYBMUJFWSA-N 0 3 249.358 0.728 20 10 BCCDHN CN1C[C@@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC000263789075 173186730 /nfs/dbraw/zinc/18/67/30/173186730.db2.gz XFGTYMHPLGRCNT-JTQLQIEISA-N 0 3 220.272 0.713 20 10 BCCDHN CNC(=O)CNCc1ccc(N(C)C)cc1 ZINC000037207217 173277340 /nfs/dbraw/zinc/27/73/40/173277340.db2.gz HJIFQGXZACZYBV-UHFFFAOYSA-N 0 3 221.304 0.588 20 10 BCCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000132488855 175156953 /nfs/dbraw/zinc/15/69/53/175156953.db2.gz GUJAJZJZTKSCFA-SNVBAGLBSA-N 0 3 223.272 0.967 20 10 BCCDHN COc1ccc(O)c(CN2CC[C@@H](O)C2)c1 ZINC000132488855 175156949 /nfs/dbraw/zinc/15/69/49/175156949.db2.gz GUJAJZJZTKSCFA-SNVBAGLBSA-N 0 3 223.272 0.967 20 10 BCCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000132488855 175156951 /nfs/dbraw/zinc/15/69/51/175156951.db2.gz GUJAJZJZTKSCFA-SNVBAGLBSA-N 0 3 223.272 0.967 20 10 BCCDHN C[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccccc1[O-] ZINC000035793676 176914495 /nfs/dbraw/zinc/91/44/95/176914495.db2.gz PKCKPEDHGGCMQK-SFYZADRCSA-N 0 3 208.261 0.917 20 10 BCCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1COCCN1)CC2 ZINC000530227813 324547254 /nfs/dbraw/zinc/54/72/54/324547254.db2.gz VXOFUAVIZXWMOU-RYUDHWBXSA-N 0 3 248.326 0.958 20 10 BCCDHN CCOc1ccc(CN[C@H]2CNOC2)c(O)c1 ZINC000904427019 584881782 /nfs/dbraw/zinc/88/17/82/584881782.db2.gz NTVDCBQDFMTIOP-JTQLQIEISA-N 0 3 238.287 0.784 20 10 BCCDHN COc1cccc(CN[C@@H]2CNOC2)c1O ZINC000904421758 584882580 /nfs/dbraw/zinc/88/25/80/584882580.db2.gz QVSCZNPUFKOBLL-SECBINFHSA-N 0 3 224.260 0.394 20 10 BCCDHN Cc1cccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1[O-] ZINC000775735836 585683628 /nfs/dbraw/zinc/68/36/28/585683628.db2.gz ZHYGWPIGVJMVRA-TXEJJXNPSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1[O-] ZINC000775735836 585683629 /nfs/dbraw/zinc/68/36/29/585683629.db2.gz ZHYGWPIGVJMVRA-TXEJJXNPSA-N 0 3 237.299 0.628 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000779031711 585744180 /nfs/dbraw/zinc/74/41/80/585744180.db2.gz GIDRHGFDSBAUTH-PHIMTYICSA-N 0 3 223.272 0.320 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000779031711 585744181 /nfs/dbraw/zinc/74/41/81/585744181.db2.gz GIDRHGFDSBAUTH-PHIMTYICSA-N 0 3 223.272 0.320 20 10 BCCDHN COc1cccc([O-])c1C[N@H+](C)CCC(N)=O ZINC000809714136 586514518 /nfs/dbraw/zinc/51/45/18/586514518.db2.gz ZTCCMMBHQHTIRO-UHFFFAOYSA-N 0 3 238.287 0.708 20 10 BCCDHN COc1cccc([O-])c1C[N@@H+](C)CCC(N)=O ZINC000809714136 586514519 /nfs/dbraw/zinc/51/45/19/586514519.db2.gz ZTCCMMBHQHTIRO-UHFFFAOYSA-N 0 3 238.287 0.708 20 10 BCCDHN CC(C)[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC000817417944 586803720 /nfs/dbraw/zinc/80/37/20/586803720.db2.gz VJCKSXVGYMLNRF-GFCCVEGCSA-N 0 3 239.315 0.956 20 10 BCCDHN CC(C)[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC000817417944 586803722 /nfs/dbraw/zinc/80/37/22/586803722.db2.gz VJCKSXVGYMLNRF-GFCCVEGCSA-N 0 3 239.315 0.956 20 10 BCCDHN CCNCC(=O)NCCc1ccc(N)cc1 ZINC000818545189 586899856 /nfs/dbraw/zinc/89/98/56/586899856.db2.gz NKFIHXYJAHFFNT-UHFFFAOYSA-N 0 3 221.304 0.537 20 10 BCCDHN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000825973690 587347386 /nfs/dbraw/zinc/34/73/86/587347386.db2.gz OEZCKNNINBOSQO-NEPJUHHUSA-N 0 3 233.315 0.716 20 10 BCCDHN Nc1ccc(NC(=O)C[C@H]2CNCCO2)cc1 ZINC000832243996 587651991 /nfs/dbraw/zinc/65/19/91/587651991.db2.gz CYMYHMSIZZMPPZ-NSHDSACASA-N 0 3 235.287 0.586 20 10 BCCDHN [NH3+]CCN(CCO)Cc1cc(F)ccc1[O-] ZINC000841058490 587940953 /nfs/dbraw/zinc/94/09/53/587940953.db2.gz HTLFTDRNPGCONM-UHFFFAOYSA-N 0 3 228.267 0.284 20 10 BCCDHN [O-]c1ccccc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841078452 587944931 /nfs/dbraw/zinc/94/49/31/587944931.db2.gz RJHKILLSWPYXNL-IAZYJMLFSA-N 0 3 204.273 0.700 20 10 BCCDHN CN[C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000848394636 588376779 /nfs/dbraw/zinc/37/67/79/588376779.db2.gz NILKZRSADIWBQV-VIFPVBQESA-N 0 3 221.304 0.535 20 10 BCCDHN NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000862483769 589216871 /nfs/dbraw/zinc/21/68/71/589216871.db2.gz TUOHTXOUOWJONL-GVJMRKKJSA-N 0 3 238.262 0.885 20 10 BCCDHN Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c([O-])c1 ZINC000876751331 590238015 /nfs/dbraw/zinc/23/80/15/590238015.db2.gz WAEUMNTXJNCSTL-TXEJJXNPSA-N 0 3 223.272 0.238 20 10 BCCDHN Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c([O-])c1 ZINC000876751331 590238016 /nfs/dbraw/zinc/23/80/16/590238016.db2.gz WAEUMNTXJNCSTL-TXEJJXNPSA-N 0 3 223.272 0.238 20 10 BCCDHN CN(C(=O)[C@H]1CCN1)c1ccc(N)cc1 ZINC000877077477 590278561 /nfs/dbraw/zinc/27/85/61/590278561.db2.gz JQPBDMJLVLFTMY-SNVBAGLBSA-N 0 3 205.261 0.594 20 10 BCCDHN CN(C(=O)[C@@]1(F)CCNC1)c1ccc(N)cc1 ZINC000877079311 590279471 /nfs/dbraw/zinc/27/94/71/590279471.db2.gz XGSRMBCOKMPTID-GFCCVEGCSA-N 0 3 237.278 0.933 20 10 BCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877750656 590414924 /nfs/dbraw/zinc/41/49/24/590414924.db2.gz UGLOKISRUXXXJS-OLZOCXBDSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877750656 590414925 /nfs/dbraw/zinc/41/49/25/590414925.db2.gz UGLOKISRUXXXJS-OLZOCXBDSA-N 0 3 237.299 0.628 20 10 BCCDHN C[C@H]([NH3+])[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000132618970 591724873 /nfs/dbraw/zinc/72/48/73/591724873.db2.gz ZPYPLVJVYUBNJH-GXFFZTMASA-N 0 3 236.315 0.940 20 10 BCCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CC(N)=O)c1 ZINC000135745049 592043922 /nfs/dbraw/zinc/04/39/22/592043922.db2.gz SJFCTUWICVYUCC-QMMMGPOBSA-N 0 3 238.287 0.754 20 10 BCCDHN CCNC(=O)CNCc1cccc(C)c1O ZINC000163727609 633063207 /nfs/dbraw/zinc/06/32/07/633063207.db2.gz KYDWJCKHDDMUDB-UHFFFAOYSA-N 0 3 222.288 0.926 20 10 BCCDHN C[C@@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000309526737 633189669 /nfs/dbraw/zinc/18/96/69/633189669.db2.gz COWNRBXXMJMOES-HTQZYQBOSA-N 0 3 208.261 0.917 20 10 BCCDHN COC[C@@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000309633619 633216679 /nfs/dbraw/zinc/21/66/79/633216679.db2.gz IROMEIZFCSNLLX-GFCCVEGCSA-N 0 3 225.288 0.879 20 10 BCCDHN CN1C(=O)CC[C@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000090024286 644575474 /nfs/dbraw/zinc/57/54/74/644575474.db2.gz NAJWMHCBBNLRKS-JTQLQIEISA-N 0 3 248.282 0.629 20 10 BCCDHN C[C@H](O)[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000929969928 646382821 /nfs/dbraw/zinc/38/28/21/646382821.db2.gz GEXUPUKDCOKKIJ-CABZTGNLSA-N 0 3 225.288 0.566 20 10 BCCDHN C[C@H](O)[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000929969928 646382828 /nfs/dbraw/zinc/38/28/28/646382828.db2.gz GEXUPUKDCOKKIJ-CABZTGNLSA-N 0 3 225.288 0.566 20 10 BCCDHN C[C@H](O)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000717309597 712646463 /nfs/dbraw/zinc/64/64/63/712646463.db2.gz VFCKCBQABNESJO-AUTRQRHGSA-N 0 3 225.288 0.785 20 10 BCCDHN CN(C)c1ccc(CN(C)C(=O)CN)cc1 ZINC000037495232 712655349 /nfs/dbraw/zinc/65/53/49/712655349.db2.gz MLXDYWXGXFKKFU-UHFFFAOYSA-N 0 3 221.304 0.670 20 10 BCCDHN C[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825820 343409949 /nfs/dbraw/zinc/40/99/49/343409949.db2.gz FUMLAYQQFXPUQV-VIFPVBQESA-N 0 3 221.304 0.716 20 10 BCCDHN Cc1cccc(C[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000224917586 179093689 /nfs/dbraw/zinc/09/36/89/179093689.db2.gz BSJYLCVKVSEPIN-ZDUSSCGKSA-N 0 3 237.299 0.942 20 10 BCCDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000229640853 188186318 /nfs/dbraw/zinc/18/63/18/188186318.db2.gz FRPLUWUCTXZQNP-ZDUSSCGKSA-N 0 3 237.299 0.942 20 10 BCCDHN Cc1ccc(O)c(CNCCS(C)(=O)=O)c1 ZINC000070955256 188487867 /nfs/dbraw/zinc/48/78/67/188487867.db2.gz JHCIVJRZQSMKTB-UHFFFAOYSA-N 0 3 243.328 0.835 20 10 BCCDHN NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000271259046 181261707 /nfs/dbraw/zinc/26/17/07/181261707.db2.gz IDWWYHQLIPHPGZ-JTQLQIEISA-N 0 3 235.287 0.635 20 10 BCCDHN NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000271259046 181261710 /nfs/dbraw/zinc/26/17/10/181261710.db2.gz IDWWYHQLIPHPGZ-JTQLQIEISA-N 0 3 235.287 0.635 20 10 BCCDHN [O-]c1ccccc1C[NH2+]CCOCCO ZINC000020198608 183085324 /nfs/dbraw/zinc/08/53/24/183085324.db2.gz TXEJTTVWPQSUJK-UHFFFAOYSA-N 0 3 211.261 0.491 20 10 BCCDHN COC[C@H](O)CNCc1ccc(N(C)C)cc1 ZINC000071270288 384159561 /nfs/dbraw/zinc/15/95/61/384159561.db2.gz COIGUUFOZMVWDS-CYBMUJFWSA-N 0 3 238.331 0.850 20 10 BCCDHN CC[N@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000158676175 384256855 /nfs/dbraw/zinc/25/68/55/384256855.db2.gz XHJDMCZPVBGDNJ-UHFFFAOYSA-N 0 3 239.271 0.935 20 10 BCCDHN CC[N@@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000158676175 384256857 /nfs/dbraw/zinc/25/68/57/384256857.db2.gz XHJDMCZPVBGDNJ-UHFFFAOYSA-N 0 3 239.271 0.935 20 10 BCCDHN C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1[O-] ZINC000078640340 384454697 /nfs/dbraw/zinc/45/46/97/384454697.db2.gz VHYJXWNORSAZIT-VIFPVBQESA-N 0 3 243.328 0.915 20 10 BCCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000187665616 384973285 /nfs/dbraw/zinc/97/32/85/384973285.db2.gz RGQHSMHCXLASKB-RYUDHWBXSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000187665616 384973291 /nfs/dbraw/zinc/97/32/91/384973291.db2.gz RGQHSMHCXLASKB-RYUDHWBXSA-N 0 3 237.299 0.628 20 10 BCCDHN COC[C@H](CO)NCc1cccc(OC)c1O ZINC000234795500 386102373 /nfs/dbraw/zinc/10/23/73/386102373.db2.gz FVKAQXQUIBRBKK-JTQLQIEISA-N 0 3 241.287 0.498 20 10 BCCDHN CN(C)c1ccc(CNC[C@H](O)CO)cc1F ZINC000276745930 172552626 /nfs/dbraw/zinc/55/26/26/172552626.db2.gz LFIQHVUAFLSJDF-JTQLQIEISA-N 0 3 242.294 0.335 20 10 BCCDHN CN1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000272482968 173195284 /nfs/dbraw/zinc/19/52/84/173195284.db2.gz SYCBXRDLXMPBKR-SNVBAGLBSA-N 0 3 238.262 0.852 20 10 BCCDHN CNC(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226581960 173277329 /nfs/dbraw/zinc/27/73/29/173277329.db2.gz YAPDBHBBWMVLON-UHFFFAOYSA-N 0 3 212.224 0.367 20 10 BCCDHN CNCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166459578 173330066 /nfs/dbraw/zinc/33/00/66/173330066.db2.gz YEAJDGZRLLBSEX-UHFFFAOYSA-N 0 3 239.294 0.727 20 10 BCCDHN Cc1cccc(CN2CCOC3(CNC3)C2)c1O ZINC000853249697 588728882 /nfs/dbraw/zinc/72/88/82/588728882.db2.gz UKVFOSGVLMTOMT-UHFFFAOYSA-N 0 3 248.326 0.875 20 10 BCCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1COCO1 ZINC000894873272 583540413 /nfs/dbraw/zinc/54/04/13/583540413.db2.gz PYSCDFKTDIIHMU-SECBINFHSA-N 0 3 239.271 0.863 20 10 BCCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000876749407 584886790 /nfs/dbraw/zinc/88/67/90/584886790.db2.gz JZCNZHBEUZUWAJ-TXEJJXNPSA-N 0 3 223.272 0.238 20 10 BCCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000876749407 584886791 /nfs/dbraw/zinc/88/67/91/584886791.db2.gz JZCNZHBEUZUWAJ-TXEJJXNPSA-N 0 3 223.272 0.238 20 10 BCCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000769564215 585559599 /nfs/dbraw/zinc/55/95/99/585559599.db2.gz MJSCJVARCGNWST-TXEJJXNPSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000769564215 585559600 /nfs/dbraw/zinc/55/96/00/585559600.db2.gz MJSCJVARCGNWST-TXEJJXNPSA-N 0 3 237.299 0.628 20 10 BCCDHN CN(Cc1ccccc1O)[C@H]1CCC(=O)NC1=O ZINC000771309781 585592513 /nfs/dbraw/zinc/59/25/13/585592513.db2.gz VEBUNOYFBCCYSI-JTQLQIEISA-N 0 3 248.282 0.629 20 10 BCCDHN Cc1cccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1[O-] ZINC000775701565 585683217 /nfs/dbraw/zinc/68/32/17/585683217.db2.gz GVVHNCXWXTULSE-PHIMTYICSA-N 0 3 223.272 0.238 20 10 BCCDHN Cc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1[O-] ZINC000775701565 585683218 /nfs/dbraw/zinc/68/32/18/585683218.db2.gz GVVHNCXWXTULSE-PHIMTYICSA-N 0 3 223.272 0.238 20 10 BCCDHN Cc1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1O ZINC000775701565 585683219 /nfs/dbraw/zinc/68/32/19/585683219.db2.gz GVVHNCXWXTULSE-PHIMTYICSA-N 0 3 223.272 0.238 20 10 BCCDHN CN(Cc1cccc(Cl)c1[O-])C[C@@H](O)C[NH3+] ZINC000841094565 587946227 /nfs/dbraw/zinc/94/62/27/587946227.db2.gz YUHCNUUYOXDXJZ-VIFPVBQESA-N 0 3 244.722 0.797 20 10 BCCDHN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)CN ZINC000841094565 587946229 /nfs/dbraw/zinc/94/62/29/587946229.db2.gz YUHCNUUYOXDXJZ-VIFPVBQESA-N 0 3 244.722 0.797 20 10 BCCDHN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)CN ZINC000841094565 587946230 /nfs/dbraw/zinc/94/62/30/587946230.db2.gz YUHCNUUYOXDXJZ-VIFPVBQESA-N 0 3 244.722 0.797 20 10 BCCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CNCCO2)c1 ZINC000841099272 587946613 /nfs/dbraw/zinc/94/66/13/587946613.db2.gz OBKSBSGOWCYWKT-LBPRGKRZSA-N 0 3 236.315 0.779 20 10 BCCDHN COc1ccc(CN[C@H](CO)[C@@H](C)O)cc1C ZINC000842220821 588007731 /nfs/dbraw/zinc/00/77/31/588007731.db2.gz IKBZCUNGTWPFJP-ZYHUDNBSSA-N 0 3 239.315 0.835 20 10 BCCDHN COc1cccc(CNC2=[NH+]C[C@H](C)N2)c1[O-] ZINC000849002875 588431430 /nfs/dbraw/zinc/43/14/30/588431430.db2.gz WTRSAJLTTBTFOA-QMMMGPOBSA-N 0 3 235.287 0.838 20 10 BCCDHN Cc1cc(O)c(CN[C@@H]2COC[C@@H]2O)cc1C ZINC000865666604 589455335 /nfs/dbraw/zinc/45/53/35/589455335.db2.gz KIBLMQARMNPRRH-YPMHNXCESA-N 0 3 237.299 0.858 20 10 BCCDHN Cc1cc([O-])c(C[NH2+][C@@H]2COC[C@@H]2O)cc1C ZINC000865666604 589455336 /nfs/dbraw/zinc/45/53/36/589455336.db2.gz KIBLMQARMNPRRH-YPMHNXCESA-N 0 3 237.299 0.858 20 10 BCCDHN Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c([O-])c1 ZINC000877417617 590324755 /nfs/dbraw/zinc/32/47/55/590324755.db2.gz WIWFXQBOXDYCSL-NWDGAFQWSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c([O-])c1 ZINC000877417617 590324758 /nfs/dbraw/zinc/32/47/58/590324758.db2.gz WIWFXQBOXDYCSL-NWDGAFQWSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc([O-])c1C[N@@H+]1CCOC[C@H](O)C1 ZINC000877561359 590359731 /nfs/dbraw/zinc/35/97/31/590359731.db2.gz KPQPPZWUQVSUDG-LLVKDONJSA-N 0 3 237.299 0.894 20 10 BCCDHN Cc1cccc([O-])c1C[N@H+]1CCOC[C@H](O)C1 ZINC000877561359 590359734 /nfs/dbraw/zinc/35/97/34/590359734.db2.gz KPQPPZWUQVSUDG-LLVKDONJSA-N 0 3 237.299 0.894 20 10 BCCDHN CN(C(=O)C[C@@H]1CNCCO1)c1ccc(N)cc1 ZINC000140158325 635871749 /nfs/dbraw/zinc/87/17/49/635871749.db2.gz JENKURIKMGGPAN-GFCCVEGCSA-N 0 3 249.314 0.610 20 10 BCCDHN O=C1CC[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])N1 ZINC000226611602 640778131 /nfs/dbraw/zinc/77/81/31/640778131.db2.gz STHJRUVNDBUTQR-JTQLQIEISA-N 0 3 238.262 0.900 20 10 BCCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(N)=O ZINC000226619159 640779886 /nfs/dbraw/zinc/77/98/86/640779886.db2.gz BSLJPMBKNRIIPE-ZCFIWIBFSA-N 0 3 212.224 0.495 20 10 BCCDHN COCC[C@H](N)C(=O)NCc1ccccc1O ZINC000228420354 640874260 /nfs/dbraw/zinc/87/42/60/640874260.db2.gz IKQIBJHAHCAJHV-JTQLQIEISA-N 0 3 238.287 0.372 20 10 BCCDHN Oc1cc2c(cc1CN1CC[C@H](O)C1)OCO2 ZINC000157683362 641623127 /nfs/dbraw/zinc/62/31/27/641623127.db2.gz OWJLCKYLCAYSTQ-VIFPVBQESA-N 0 3 237.255 0.688 20 10 BCCDHN COc1ccc(CNC(=O)C2(N)CC2)c(O)c1 ZINC000083363146 643439878 /nfs/dbraw/zinc/43/98/78/643439878.db2.gz FUGFEBQRMVUYDX-UHFFFAOYSA-N 0 3 236.271 0.508 20 10 BCCDHN Cn1nccc1[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000922974115 644209983 /nfs/dbraw/zinc/20/99/83/644209983.db2.gz UWYOSZQZNLCVBT-CYBMUJFWSA-N 0 3 247.298 0.949 20 10 BCCDHN Cn1nnnc1CC[NH2+]Cc1ccccc1[O-] ZINC000771876025 644690153 /nfs/dbraw/zinc/69/01/53/644690153.db2.gz KAPIMARZUDFJDS-UHFFFAOYSA-N 0 3 233.275 0.248 20 10 BCCDHN COC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000182652026 711896072 /nfs/dbraw/zinc/89/60/72/711896072.db2.gz MVXBYZQJUSBSQW-NSHDSACASA-N 0 3 225.288 0.831 20 10 BCCDHN COC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000182652026 711896075 /nfs/dbraw/zinc/89/60/75/711896075.db2.gz MVXBYZQJUSBSQW-NSHDSACASA-N 0 3 225.288 0.831 20 10 BCCDHN CO[C@@](C)(CO)C[NH2+]Cc1ccccc1[O-] ZINC000702531785 712055192 /nfs/dbraw/zinc/05/51/92/712055192.db2.gz LQYLTZKUIHAEDQ-GFCCVEGCSA-N 0 3 225.288 0.879 20 10 BCCDHN C[C@H](NCC(N)=O)c1ccc(N(C)C)cc1 ZINC000037183904 712553098 /nfs/dbraw/zinc/55/30/98/712553098.db2.gz BCKZTFOVJDZJDO-VIFPVBQESA-N 0 3 221.304 0.889 20 10 BCCDHN C[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823752 342954637 /nfs/dbraw/zinc/95/46/37/342954637.db2.gz DGOUOBRFQQJMSF-MRVPVSSYSA-N 0 3 208.261 0.698 20 10 BCCDHN C[C@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879736 343456513 /nfs/dbraw/zinc/45/65/13/343456513.db2.gz DENFZHAKKBJJIR-SSDOTTSWSA-N 0 3 225.244 0.591 20 10 BCCDHN CNC(=O)CCNCc1ccc2c(c1)CCO2 ZINC000044990407 343520545 /nfs/dbraw/zinc/52/05/45/343520545.db2.gz MGSFOFKMZHHHSU-UHFFFAOYSA-N 0 3 234.299 0.847 20 10 BCCDHN CN(C)c1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093483425 345673954 /nfs/dbraw/zinc/67/39/54/345673954.db2.gz UNDLDHHOWWYWCC-BETUJISGSA-N 0 3 236.315 0.290 20 10 BCCDHN Cc1ccc([O-])c(C[NH2+]CCOCCO)c1 ZINC000070955069 188130823 /nfs/dbraw/zinc/13/08/23/188130823.db2.gz AZGHOYDJKDDPSE-UHFFFAOYSA-N 0 3 225.288 0.799 20 10 BCCDHN CC(C)[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000169813703 188520713 /nfs/dbraw/zinc/52/07/13/188520713.db2.gz DYEVIJJJZWVHES-LBPRGKRZSA-N 0 3 235.331 0.911 20 10 BCCDHN NC(=O)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000179566525 181250262 /nfs/dbraw/zinc/25/02/62/181250262.db2.gz CIGLEMZUMDHMMU-UHFFFAOYSA-N 0 3 249.314 0.979 20 10 BCCDHN NC(=O)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000179566525 181250263 /nfs/dbraw/zinc/25/02/63/181250263.db2.gz CIGLEMZUMDHMMU-UHFFFAOYSA-N 0 3 249.314 0.979 20 10 BCCDHN OC[C@@H](O)CNCc1ccc2c(c1)CCO2 ZINC000083352570 183110989 /nfs/dbraw/zinc/11/09/89/183110989.db2.gz DPEINCFAHKRJNE-NSHDSACASA-N 0 3 223.272 0.064 20 10 BCCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1COC[C@H]1O)CC2 ZINC000295831881 183297478 /nfs/dbraw/zinc/29/74/78/183297478.db2.gz CROSTDGPPBKYQL-HOSYDEDBSA-N 0 3 235.283 0.729 20 10 BCCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1COC[C@H]1O)CC2 ZINC000295831877 183298787 /nfs/dbraw/zinc/29/87/87/183298787.db2.gz CROSTDGPPBKYQL-CKYFFXLPSA-N 0 3 235.283 0.729 20 10 BCCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C(=O)N(C)C ZINC000036794069 383908836 /nfs/dbraw/zinc/90/88/36/383908836.db2.gz UWQVQHJIYGUVOM-VIFPVBQESA-N 0 3 222.288 0.959 20 10 BCCDHN CC[C@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879566 384251440 /nfs/dbraw/zinc/25/14/40/384251440.db2.gz ALHMGGWBQMHKKK-SECBINFHSA-N 0 3 239.271 0.981 20 10 BCCDHN CS(=O)(=O)NCC[NH2+]Cc1ccccc1[O-] ZINC000020203075 384599554 /nfs/dbraw/zinc/59/95/54/384599554.db2.gz LSCOCYRXFZFWQL-UHFFFAOYSA-N 0 3 244.316 0.031 20 10 BCCDHN CNC(=O)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000162832588 384693317 /nfs/dbraw/zinc/69/33/17/384693317.db2.gz BJMQZNDGVOGBIZ-UHFFFAOYSA-N 0 3 222.288 0.926 20 10 BCCDHN CNS(=O)(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000190309295 385229339 /nfs/dbraw/zinc/22/93/39/385229339.db2.gz RHRVKUATGJSOEI-UHFFFAOYSA-N 0 3 244.316 0.031 20 10 BCCDHN C[N@H+](Cc1ccccc1[O-])CC(C)(CO)CO ZINC000271362588 385820731 /nfs/dbraw/zinc/82/07/31/385820731.db2.gz NVHDEJNMAKDUGS-UHFFFAOYSA-N 0 3 239.315 0.815 20 10 BCCDHN C[N@@H+](Cc1ccccc1[O-])CC(C)(CO)CO ZINC000271362588 385820733 /nfs/dbraw/zinc/82/07/33/385820733.db2.gz NVHDEJNMAKDUGS-UHFFFAOYSA-N 0 3 239.315 0.815 20 10 BCCDHN CNC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000037224810 173278276 /nfs/dbraw/zinc/27/82/76/173278276.db2.gz LNUKYBQHQFIFIR-MRVPVSSYSA-N 0 3 238.287 0.797 20 10 BCCDHN CNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000037224854 173278605 /nfs/dbraw/zinc/27/86/05/173278605.db2.gz BBYNHPCJYDLKRM-MRVPVSSYSA-N 0 3 208.261 0.789 20 10 BCCDHN COC[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297589496 174497289 /nfs/dbraw/zinc/49/72/89/174497289.db2.gz HOGJOCYCRLFWFJ-WDEREUQCSA-N 0 3 237.299 0.976 20 10 BCCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CO)c1 ZINC000035602238 175158827 /nfs/dbraw/zinc/15/88/27/175158827.db2.gz GOMMHQKSLPZWMO-MRVPVSSYSA-N 0 3 211.261 0.871 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1COCCN1 ZINC000530182263 323205738 /nfs/dbraw/zinc/20/57/38/323205738.db2.gz TUKUHFGNMZBFGJ-LLVKDONJSA-N 0 3 240.278 0.609 20 10 BCCDHN CN(C)c1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278434296 490295592 /nfs/dbraw/zinc/29/55/92/490295592.db2.gz UNDLDHHOWWYWCC-STQMWFEESA-N 0 3 236.315 0.290 20 10 BCCDHN COC[C@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000894616633 583495117 /nfs/dbraw/zinc/49/51/17/583495117.db2.gz GWJZQSQXGFJXJW-JTQLQIEISA-N 0 3 225.288 0.798 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1COCO1 ZINC000894876719 583541619 /nfs/dbraw/zinc/54/16/19/583541619.db2.gz USKVMOXBSJNWDY-SNVBAGLBSA-N 0 3 227.235 0.994 20 10 BCCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895651318 583701380 /nfs/dbraw/zinc/70/13/80/583701380.db2.gz ZVCNRAVMSXOBBP-NOZJJQNGSA-N 0 3 235.283 0.967 20 10 BCCDHN COc1cccc([O-])c1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895651318 583701382 /nfs/dbraw/zinc/70/13/82/583701382.db2.gz ZVCNRAVMSXOBBP-NOZJJQNGSA-N 0 3 235.283 0.967 20 10 BCCDHN C[NH+](C)CCNC(=O)c1cc([O-])cs1 ZINC000779370680 585752670 /nfs/dbraw/zinc/75/26/70/585752670.db2.gz JMVQHUWEHXQEFM-UHFFFAOYSA-N 0 3 214.290 0.745 20 10 BCCDHN C[N@H+](CCN1CCNC1=O)Cc1ccccc1[O-] ZINC000808735827 586486026 /nfs/dbraw/zinc/48/60/26/586486026.db2.gz BVWZEFYBJCMQBJ-UHFFFAOYSA-N 0 3 249.314 0.849 20 10 BCCDHN C[N@@H+](CCN1CCNC1=O)Cc1ccccc1[O-] ZINC000808735827 586486028 /nfs/dbraw/zinc/48/60/28/586486028.db2.gz BVWZEFYBJCMQBJ-UHFFFAOYSA-N 0 3 249.314 0.849 20 10 BCCDHN COc1cccc([O-])c1CN[C@@H]1CC[NH2+]C1 ZINC000841044270 587939273 /nfs/dbraw/zinc/93/92/73/587939273.db2.gz BWIBJIOTVFNXGI-SECBINFHSA-N 0 3 222.288 0.852 20 10 BCCDHN [NH3+]CCN(CCO)Cc1cc(Cl)ccc1[O-] ZINC000841059215 587940903 /nfs/dbraw/zinc/94/09/03/587940903.db2.gz NJNJJFLICJPKPO-UHFFFAOYSA-N 0 3 244.722 0.799 20 10 BCCDHN CN(C)c1ccc(CNC[C@@H]2CNCCO2)cc1 ZINC000841099605 587946391 /nfs/dbraw/zinc/94/63/91/587946391.db2.gz SPUKUVXJNFQEKN-AWEZNQCLSA-N 0 3 249.358 0.831 20 10 BCCDHN CN(C)c1ccc(CNC[C@H]2CNCCO2)cc1 ZINC000841099606 587946736 /nfs/dbraw/zinc/94/67/36/587946736.db2.gz SPUKUVXJNFQEKN-CQSZACIVSA-N 0 3 249.358 0.831 20 10 BCCDHN Cc1cccc(C[NH2+]C[C@H]2CNCCO2)c1[O-] ZINC000841098876 587946766 /nfs/dbraw/zinc/94/67/66/587946766.db2.gz JOIADKAINMFTSD-GFCCVEGCSA-N 0 3 236.315 0.779 20 10 BCCDHN CO[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000842752755 588059539 /nfs/dbraw/zinc/05/95/39/588059539.db2.gz UPEPJFVNAVPYNB-ZYHUDNBSSA-N 0 3 223.272 0.896 20 10 BCCDHN CCc1cccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1[O-] ZINC000848887584 588417904 /nfs/dbraw/zinc/41/79/04/588417904.db2.gz ZOLRFDCQZOOHDU-TXEJJXNPSA-N 0 3 237.299 0.492 20 10 BCCDHN CCc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1[O-] ZINC000848887584 588417905 /nfs/dbraw/zinc/41/79/05/588417905.db2.gz ZOLRFDCQZOOHDU-TXEJJXNPSA-N 0 3 237.299 0.492 20 10 BCCDHN CCc1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1O ZINC000848887584 588417907 /nfs/dbraw/zinc/41/79/07/588417907.db2.gz ZOLRFDCQZOOHDU-TXEJJXNPSA-N 0 3 237.299 0.492 20 10 BCCDHN COc1ccc([O-])c(CNC2=[NH+]C[C@H](C)N2)c1 ZINC000849009086 588433991 /nfs/dbraw/zinc/43/39/91/588433991.db2.gz ZSSVTBLTBVAPJH-QMMMGPOBSA-N 0 3 235.287 0.838 20 10 BCCDHN CO[C@H]1CN[C@@](C)(C(=O)Nc2ccc(N)cc2)C1 ZINC000876504495 590204093 /nfs/dbraw/zinc/20/40/93/590204093.db2.gz OPSPBGYXSSABRD-DGCLKSJQSA-N 0 3 249.314 0.974 20 10 BCCDHN Cc1ccc(CNC2(C(N)=O)CC2)c(O)c1 ZINC000877323091 590316998 /nfs/dbraw/zinc/31/69/98/590316998.db2.gz IDKLDGSGBRKHGG-UHFFFAOYSA-N 0 3 220.272 0.808 20 10 BCCDHN COC[C@@H](O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877505353 590343048 /nfs/dbraw/zinc/34/30/48/590343048.db2.gz RZNAGKVLLDLDTB-NSHDSACASA-N 0 3 225.288 0.798 20 10 BCCDHN Cc1cccc(C[NH2+][C@@H]2COC[C@@H]2O)c1[O-] ZINC000134415482 591926476 /nfs/dbraw/zinc/92/64/76/591926476.db2.gz NHEYCSZIVFXBQX-MNOVXSKESA-N 0 3 223.272 0.550 20 10 BCCDHN Cc1cccc(CN[C@@H]2COC[C@@H]2O)c1O ZINC000134415482 591926479 /nfs/dbraw/zinc/92/64/79/591926479.db2.gz NHEYCSZIVFXBQX-MNOVXSKESA-N 0 3 223.272 0.550 20 10 BCCDHN O[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC000886243183 592183853 /nfs/dbraw/zinc/18/38/53/592183853.db2.gz QKGJLWIBXDAWKV-XYYAHUGASA-N 0 3 249.310 0.595 20 10 BCCDHN N[C@H](CC(F)F)C(=O)NCc1ccccc1O ZINC000310067447 634068544 /nfs/dbraw/zinc/06/85/44/634068544.db2.gz CCBVHYHQVZSYHN-MRVPVSSYSA-N 0 3 244.241 0.991 20 10 BCCDHN C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000323379727 636924966 /nfs/dbraw/zinc/92/49/66/636924966.db2.gz GSWIYNQCOMOINU-KOLSJAJHSA-N 0 3 241.262 0.942 20 10 BCCDHN [NH3+]C[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000229019298 640912231 /nfs/dbraw/zinc/91/22/31/640912231.db2.gz DCEPCIFYQLLGNJ-NSHDSACASA-N 0 3 240.278 0.691 20 10 BCCDHN COc1ccc(CNC(=O)[C@H](C)N)c(O)c1 ZINC000083353188 644403918 /nfs/dbraw/zinc/40/39/18/644403918.db2.gz UQPSNPQYMKXMEQ-ZETCQYMHSA-N 0 3 224.260 0.364 20 10 BCCDHN C[C@@H](NCC(N)=O)c1ccc(N(C)C)cc1 ZINC000037183905 712553085 /nfs/dbraw/zinc/55/30/85/712553085.db2.gz BCKZTFOVJDZJDO-SECBINFHSA-N 0 3 221.304 0.889 20 10 BCCDHN Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1[O-] ZINC000187670874 179083921 /nfs/dbraw/zinc/08/39/21/179083921.db2.gz KTTRTRYTIRGQTG-RYUDHWBXSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1[O-] ZINC000187670874 179083922 /nfs/dbraw/zinc/08/39/22/179083922.db2.gz KTTRTRYTIRGQTG-RYUDHWBXSA-N 0 3 237.299 0.628 20 10 BCCDHN OC[C@]1(NCc2ccc3c(c2)CCO3)CCOC1 ZINC000184190201 183159281 /nfs/dbraw/zinc/15/92/81/183159281.db2.gz RHGIYMLCPNNMHG-CQSZACIVSA-N 0 3 249.310 0.863 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000180876821 183275745 /nfs/dbraw/zinc/27/57/45/183275745.db2.gz IUTUHGQGMRSNKS-GFCCVEGCSA-N 0 3 241.262 0.772 20 10 BCCDHN Cc1ccc(O)c(CNCC(=O)N(C)C)c1 ZINC000070955146 384142696 /nfs/dbraw/zinc/14/26/96/384142696.db2.gz BJDRSZLWTLFPPC-UHFFFAOYSA-N 0 3 222.288 0.878 20 10 BCCDHN CN(C)c1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000083360034 384764974 /nfs/dbraw/zinc/76/49/74/384764974.db2.gz VQSNFWPNBMCPLU-UHFFFAOYSA-N 0 3 233.315 0.860 20 10 BCCDHN O=C1NC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]12 ZINC000367940005 384965202 /nfs/dbraw/zinc/96/52/02/384965202.db2.gz BIYGSUGMJMJKDB-NWDGAFQWSA-N 0 3 246.310 0.960 20 10 BCCDHN O=C1NC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]12 ZINC000367940005 384965211 /nfs/dbraw/zinc/96/52/11/384965211.db2.gz BIYGSUGMJMJKDB-NWDGAFQWSA-N 0 3 246.310 0.960 20 10 BCCDHN CO[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000289909817 385700288 /nfs/dbraw/zinc/70/02/88/385700288.db2.gz UPEPJFVNAVPYNB-JQWIXIFHSA-N 0 3 223.272 0.896 20 10 BCCDHN C[N@H+](CCOCCO)Cc1cc(F)ccc1[O-] ZINC000282841884 385790504 /nfs/dbraw/zinc/79/05/04/385790504.db2.gz VRTIFQWTNHBCSV-UHFFFAOYSA-N 0 3 243.278 0.972 20 10 BCCDHN C[N@@H+](CCOCCO)Cc1cc(F)ccc1[O-] ZINC000282841884 385790509 /nfs/dbraw/zinc/79/05/09/385790509.db2.gz VRTIFQWTNHBCSV-UHFFFAOYSA-N 0 3 243.278 0.972 20 10 BCCDHN CCNC(=O)CNCc1cc(OC)ccc1O ZINC000036780264 170065178 /nfs/dbraw/zinc/06/51/78/170065178.db2.gz LGIGYGWDXCUAGE-UHFFFAOYSA-N 0 3 238.287 0.627 20 10 BCCDHN CNC(=O)CNCc1cccc(OC)c1O ZINC000087728084 173277297 /nfs/dbraw/zinc/27/72/97/173277297.db2.gz RPCDXZNQPUNEJV-UHFFFAOYSA-N 0 3 224.260 0.236 20 10 BCCDHN CNC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000037224809 173277305 /nfs/dbraw/zinc/27/73/05/173277305.db2.gz LNUKYBQHQFIFIR-QMMMGPOBSA-N 0 3 238.287 0.797 20 10 BCCDHN COc1ccc([O-])c(C[N@H+](C)CCC(N)=O)c1 ZINC000289699073 175157783 /nfs/dbraw/zinc/15/77/83/175157783.db2.gz ONNUCPQFCLHKFJ-UHFFFAOYSA-N 0 3 238.287 0.708 20 10 BCCDHN COc1ccc([O-])c(C[N@@H+](C)CCC(N)=O)c1 ZINC000289699073 175157786 /nfs/dbraw/zinc/15/77/86/175157786.db2.gz ONNUCPQFCLHKFJ-UHFFFAOYSA-N 0 3 238.287 0.708 20 10 BCCDHN COc1ccc(O)c([C@@H](C)NCC(N)=O)c1 ZINC000021962321 175160502 /nfs/dbraw/zinc/16/05/02/175160502.db2.gz BBVKDYHQOBILBH-SSDOTTSWSA-N 0 3 224.260 0.537 20 10 BCCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(N)=O)c1 ZINC000035793362 175160771 /nfs/dbraw/zinc/16/07/71/175160771.db2.gz FTODPOQUKQHEHP-YUMQZZPRSA-N 0 3 238.287 0.925 20 10 BCCDHN COc1cccc(CN(C)CCO)c1O ZINC000127925880 175256205 /nfs/dbraw/zinc/25/62/05/175256205.db2.gz REOMGXQVKGALDP-UHFFFAOYSA-N 0 3 211.261 0.825 20 10 BCCDHN COc1cccc(C[NH2+]CCOCCO)c1[O-] ZINC000020198711 175264879 /nfs/dbraw/zinc/26/48/79/175264879.db2.gz JAECZQKRUMMOPW-UHFFFAOYSA-N 0 3 241.287 0.499 20 10 BCCDHN COc1ccc(CNC2=[NH+]CCN2C)c([O-])c1 ZINC000849024900 582830465 /nfs/dbraw/zinc/83/04/65/582830465.db2.gz FDPLACLFXQSPLC-UHFFFAOYSA-N 0 3 235.287 0.792 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895649657 583700079 /nfs/dbraw/zinc/70/00/79/583700079.db2.gz RSEQYIBBEMQSBI-ZYHUDNBSSA-N 0 3 205.257 0.959 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895649657 583700080 /nfs/dbraw/zinc/70/00/80/583700080.db2.gz RSEQYIBBEMQSBI-ZYHUDNBSSA-N 0 3 205.257 0.959 20 10 BCCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895651321 583701071 /nfs/dbraw/zinc/70/10/71/583701071.db2.gz ZVCNRAVMSXOBBP-ZANVPECISA-N 0 3 235.283 0.967 20 10 BCCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895651321 583701072 /nfs/dbraw/zinc/70/10/72/583701072.db2.gz ZVCNRAVMSXOBBP-ZANVPECISA-N 0 3 235.283 0.967 20 10 BCCDHN COc1ccc(O)c(CN2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895651908 583703407 /nfs/dbraw/zinc/70/34/07/583703407.db2.gz DFTJMMXXIJXDQA-ZWNOBZJWSA-N 0 3 235.283 0.967 20 10 BCCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895651908 583703408 /nfs/dbraw/zinc/70/34/08/583703408.db2.gz DFTJMMXXIJXDQA-ZWNOBZJWSA-N 0 3 235.283 0.967 20 10 BCCDHN COc1ccc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895651908 583703409 /nfs/dbraw/zinc/70/34/09/583703409.db2.gz DFTJMMXXIJXDQA-ZWNOBZJWSA-N 0 3 235.283 0.967 20 10 BCCDHN [NH3+]CCN(CCO)Cc1c([O-])cccc1Cl ZINC000841059842 584126212 /nfs/dbraw/zinc/12/62/12/584126212.db2.gz XVHMWYDUEJGSQV-UHFFFAOYSA-N 0 3 244.722 0.799 20 10 BCCDHN COc1ccc(O)c(CN[C@H]2CNOC2)c1 ZINC000904425157 584881126 /nfs/dbraw/zinc/88/11/26/584881126.db2.gz AQDTZMNYAGWTQY-VIFPVBQESA-N 0 3 224.260 0.394 20 10 BCCDHN Cc1ccc(O)c(CN[C@H]2CNOC2)c1 ZINC000904427202 584881526 /nfs/dbraw/zinc/88/15/26/584881526.db2.gz REDLKNPVAAFHCY-JTQLQIEISA-N 0 3 208.261 0.694 20 10 BCCDHN Cc1ccc(O)c(CN[C@@H]2CNOC2)c1 ZINC000904421769 584882503 /nfs/dbraw/zinc/88/25/03/584882503.db2.gz REDLKNPVAAFHCY-SNVBAGLBSA-N 0 3 208.261 0.694 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000824625615 587279660 /nfs/dbraw/zinc/27/96/60/587279660.db2.gz LPSHJRFCSDMYJK-LLVKDONJSA-N 0 3 223.272 0.585 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000824625615 587279661 /nfs/dbraw/zinc/27/96/61/587279661.db2.gz LPSHJRFCSDMYJK-LLVKDONJSA-N 0 3 223.272 0.585 20 10 BCCDHN CNCC(=O)NCc1ccc(OC)cc1O ZINC000832178863 587648394 /nfs/dbraw/zinc/64/83/94/587648394.db2.gz YJSBGZZRGXKDGU-UHFFFAOYSA-N 0 3 224.260 0.236 20 10 BCCDHN CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832284065 587653199 /nfs/dbraw/zinc/65/31/99/587653199.db2.gz HGWSXBRIWCDXFV-GFCCVEGCSA-N 0 3 221.304 0.889 20 10 BCCDHN COCCNCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000841048764 587939660 /nfs/dbraw/zinc/93/96/60/587939660.db2.gz TZHXBUOIQIAMAL-UHFFFAOYSA-N 0 3 242.294 0.857 20 10 BCCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CNCCO2)c1 ZINC000841099271 587946423 /nfs/dbraw/zinc/94/64/23/587946423.db2.gz OBKSBSGOWCYWKT-GFCCVEGCSA-N 0 3 236.315 0.779 20 10 BCCDHN COc1ccc(O)c([C@@H](C)NC(=O)CN)c1 ZINC000843489470 588114833 /nfs/dbraw/zinc/11/48/33/588114833.db2.gz PLACZVDKBFAHRF-SSDOTTSWSA-N 0 3 224.260 0.537 20 10 BCCDHN CCNCC(=O)NCc1ccc(OC)cc1O ZINC000843500259 588116379 /nfs/dbraw/zinc/11/63/79/588116379.db2.gz TUPQIBFQROFAPN-UHFFFAOYSA-N 0 3 238.287 0.627 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH+](CCO)CCO ZINC000862429772 589212504 /nfs/dbraw/zinc/21/25/04/589212504.db2.gz KCELHPVYEFBXSG-UHFFFAOYSA-N 0 3 229.251 0.318 20 10 BCCDHN CN(C[C@@H]1CNCCO1)c1ccc(N)cc1 ZINC000863558223 589299117 /nfs/dbraw/zinc/29/91/17/589299117.db2.gz AGRBRBKOLDMIHP-LBPRGKRZSA-N 0 3 221.304 0.693 20 10 BCCDHN [O-]c1cc2c(cc1C[NH2+]C1(CO)CC1)OCO2 ZINC000120393292 589409002 /nfs/dbraw/zinc/40/90/02/589409002.db2.gz NAVSRJLYMUVAAT-UHFFFAOYSA-N 0 3 237.255 0.735 20 10 BCCDHN CCN[C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000876527460 590208932 /nfs/dbraw/zinc/20/89/32/590208932.db2.gz GJKQBWGZGYGVRW-JTQLQIEISA-N 0 3 235.331 0.926 20 10 BCCDHN Cc1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c([O-])c1 ZINC000876796947 590242798 /nfs/dbraw/zinc/24/27/98/590242798.db2.gz KXKQRKFRLOKRHF-TXEJJXNPSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c([O-])c1 ZINC000876796947 590242800 /nfs/dbraw/zinc/24/28/00/590242800.db2.gz KXKQRKFRLOKRHF-TXEJJXNPSA-N 0 3 237.299 0.628 20 10 BCCDHN CN(C(=O)C1=NO[C@@H](CN)C1)c1ccc(N)cc1 ZINC000877074417 590278327 /nfs/dbraw/zinc/27/83/27/590278327.db2.gz JJGIISYCEALLCD-SNVBAGLBSA-N 0 3 248.286 0.335 20 10 BCCDHN Cc1ccc(C[NH2+][C@]2(CO)CCOC2)c([O-])c1 ZINC000877335668 590318030 /nfs/dbraw/zinc/31/80/30/590318030.db2.gz KGSSXLGCDWJUDN-ZDUSSCGKSA-N 0 3 237.299 0.942 20 10 BCCDHN COC[C@@H](O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877505572 590342785 /nfs/dbraw/zinc/34/27/85/590342785.db2.gz VZFFBVJAWTZXNX-JTQLQIEISA-N 0 3 225.288 0.798 20 10 BCCDHN C[C@H]([NH2+]CCn1cnnn1)c1ccccc1[O-] ZINC000879650377 590843234 /nfs/dbraw/zinc/84/32/34/590843234.db2.gz XPQIZBVRBUSKKC-VIFPVBQESA-N 0 3 233.275 0.730 20 10 BCCDHN COC[C@H](CO)NCc1c(O)cccc1OC ZINC000883107738 591540627 /nfs/dbraw/zinc/54/06/27/591540627.db2.gz ISEUIEANKLKMQE-VIFPVBQESA-N 0 3 241.287 0.498 20 10 BCCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1COC[C@H]1O ZINC000309507214 633181253 /nfs/dbraw/zinc/18/12/53/633181253.db2.gz NQXOPWVPXBBABI-GXSJLCMTSA-N 0 3 227.235 0.381 20 10 BCCDHN OCC(CO)NCc1ccc2c(c1)CCCO2 ZINC000258646260 635180290 /nfs/dbraw/zinc/18/02/90/635180290.db2.gz GDCNAZMGFBLLTM-UHFFFAOYSA-N 0 3 237.299 0.454 20 10 BCCDHN O[C@@H]1COC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000323203641 636907035 /nfs/dbraw/zinc/90/70/35/636907035.db2.gz UXYKPZYIIBVNNW-NWDGAFQWSA-N 0 3 235.283 0.471 20 10 BCCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(N)=O ZINC000035793672 639947145 /nfs/dbraw/zinc/94/71/45/639947145.db2.gz PKCKPEDHGGCMQK-YUMQZZPRSA-N 0 3 208.261 0.917 20 10 BCCDHN C[C@@H](O)[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000931555206 640273658 /nfs/dbraw/zinc/27/36/58/640273658.db2.gz VFCKCBQABNESJO-KBVBSXBZSA-N 0 3 225.288 0.785 20 10 BCCDHN C[C@H](CC(N)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226615824 640780425 /nfs/dbraw/zinc/78/04/25/640780425.db2.gz PUWHTUGVNGOLGA-SSDOTTSWSA-N 0 3 226.251 0.885 20 10 BCCDHN Nc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000238140597 642787968 /nfs/dbraw/zinc/78/79/68/642787968.db2.gz HZWFHUFSQYYEQA-LBPRGKRZSA-N 0 3 249.314 0.976 20 10 BCCDHN COC[C@@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000069912944 642935687 /nfs/dbraw/zinc/93/56/87/642935687.db2.gz IUFVGKGDTITLSO-LBPRGKRZSA-N 0 3 225.288 0.879 20 10 BCCDHN C[C@@H]([NH2+]C[C@@H](O)CO)c1ccccc1[O-] ZINC000085246042 643698488 /nfs/dbraw/zinc/69/84/88/643698488.db2.gz YYKTVORTIFKDIU-RKDXNWHRSA-N 0 3 211.261 0.396 20 10 BCCDHN O[C@@H]1COC[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000922299819 643960358 /nfs/dbraw/zinc/96/03/58/643960358.db2.gz SEGFWXVCDBHRBG-QWHCGFSZSA-N 0 3 249.310 0.861 20 10 BCCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CNCCO1)CC2 ZINC000817983593 644994982 /nfs/dbraw/zinc/99/49/82/644994982.db2.gz OMTWGRLFIQZBRJ-NEPJUHHUSA-N 0 3 248.326 0.958 20 10 BCCDHN NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000846047102 645394196 /nfs/dbraw/zinc/39/41/96/645394196.db2.gz TUOHTXOUOWJONL-WKFQBHICSA-N 0 3 238.262 0.885 20 10 BCCDHN COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1[O-] ZINC000846053792 645394724 /nfs/dbraw/zinc/39/47/24/645394724.db2.gz WXQACXVQPYYAHD-VXGBXAGGSA-N 0 3 237.299 0.974 20 10 BCCDHN COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1[O-] ZINC000846053792 645394731 /nfs/dbraw/zinc/39/47/31/645394731.db2.gz WXQACXVQPYYAHD-VXGBXAGGSA-N 0 3 237.299 0.974 20 10 BCCDHN C[C@H]([NH2+][C@H]1CCNC1=O)c1ccccc1[O-] ZINC000381328648 710622560 /nfs/dbraw/zinc/62/25/60/710622560.db2.gz SCRLTYWXDCFJAL-WPRPVWTQSA-N 0 3 220.272 0.931 20 10 BCCDHN Cc1cccc(CN2CCOC[C@H](O)C2)c1O ZINC000294774518 179078865 /nfs/dbraw/zinc/07/88/65/179078865.db2.gz KOLTYAHAZFJABP-GFCCVEGCSA-N 0 3 237.299 0.894 20 10 BCCDHN Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1[O-] ZINC000359973369 179085238 /nfs/dbraw/zinc/08/52/38/179085238.db2.gz KTTRTRYTIRGQTG-NEPJUHHUSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1[O-] ZINC000359973369 179085239 /nfs/dbraw/zinc/08/52/39/179085239.db2.gz KTTRTRYTIRGQTG-NEPJUHHUSA-N 0 3 237.299 0.628 20 10 BCCDHN Cc1cccc(C[NH2+]CCOCCO)c1[O-] ZINC000083353990 179092797 /nfs/dbraw/zinc/09/27/97/179092797.db2.gz STBSZQYNZPRXMW-UHFFFAOYSA-N 0 3 225.288 0.799 20 10 BCCDHN Cc1cccc(C[NH2+]C[C@]2(O)CCOC2)c1[O-] ZINC000224917629 179093954 /nfs/dbraw/zinc/09/39/54/179093954.db2.gz BSJYLCVKVSEPIN-CYBMUJFWSA-N 0 3 237.299 0.942 20 10 BCCDHN NC(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000183293763 181283244 /nfs/dbraw/zinc/28/32/44/181283244.db2.gz WFWJKAIVAOGUBP-JTQLQIEISA-N 0 3 220.272 0.699 20 10 BCCDHN NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000183293763 181283246 /nfs/dbraw/zinc/28/32/46/181283246.db2.gz WFWJKAIVAOGUBP-JTQLQIEISA-N 0 3 220.272 0.699 20 10 BCCDHN [O-]c1ccccc1C[NH2+]CCCOCCO ZINC000134669612 183082918 /nfs/dbraw/zinc/08/29/18/183082918.db2.gz NJZXCMXLJZIZNK-UHFFFAOYSA-N 0 3 225.288 0.881 20 10 BCCDHN O=C1NC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]12 ZINC000367940006 384967751 /nfs/dbraw/zinc/96/77/51/384967751.db2.gz BIYGSUGMJMJKDB-RYUDHWBXSA-N 0 3 246.310 0.960 20 10 BCCDHN O=C1NC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]12 ZINC000367940006 384967756 /nfs/dbraw/zinc/96/77/56/384967756.db2.gz BIYGSUGMJMJKDB-RYUDHWBXSA-N 0 3 246.310 0.960 20 10 BCCDHN CN1CCCc2cc(CNC(=O)CN)ccc21 ZINC000166477036 385247498 /nfs/dbraw/zinc/24/74/98/385247498.db2.gz OQFIHOABQOIKMT-UHFFFAOYSA-N 0 3 233.315 0.644 20 10 BCCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)CCCO ZINC000272244977 385888222 /nfs/dbraw/zinc/88/82/22/385888222.db2.gz HHNFHATWMLTLCF-UHFFFAOYSA-N 0 3 243.278 0.708 20 10 BCCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)CCCO ZINC000272244977 385888225 /nfs/dbraw/zinc/88/82/25/385888225.db2.gz HHNFHATWMLTLCF-UHFFFAOYSA-N 0 3 243.278 0.708 20 10 BCCDHN COC[C@H](CO)NCc1ccc2c(c1)CCO2 ZINC000234802012 386100656 /nfs/dbraw/zinc/10/06/56/386100656.db2.gz AIHJENJWBAKCGE-LBPRGKRZSA-N 0 3 237.299 0.718 20 10 BCCDHN COC[C@@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296568726 133670243 /nfs/dbraw/zinc/67/02/43/133670243.db2.gz UXMNTZRHXUBYLI-GHMZBOCLSA-N 0 3 237.299 0.976 20 10 BCCDHN CN1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000272482967 173186451 /nfs/dbraw/zinc/18/64/51/173186451.db2.gz SYCBXRDLXMPBKR-JTQLQIEISA-N 0 3 238.262 0.852 20 10 BCCDHN CON(C)C(=O)CNCc1ccc(C)cc1O ZINC000895046256 583572174 /nfs/dbraw/zinc/57/21/74/583572174.db2.gz FDGIXTYAVYAZCV-UHFFFAOYSA-N 0 3 238.287 0.810 20 10 BCCDHN Oc1cc2c(cc1CN1C[C@@H]3C[C@]3(O)C1)OCO2 ZINC000895645220 583700500 /nfs/dbraw/zinc/70/05/00/583700500.db2.gz AGHPTORNQLHDNP-ZANVPECISA-N 0 3 249.266 0.688 20 10 BCCDHN NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000858249070 588940577 /nfs/dbraw/zinc/94/05/77/588940577.db2.gz JFYPSFOAOKZIKA-MGCOHNPYSA-N 0 3 220.272 0.746 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000824625616 587279980 /nfs/dbraw/zinc/27/99/80/587279980.db2.gz LPSHJRFCSDMYJK-NSHDSACASA-N 0 3 223.272 0.585 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000824625616 587279981 /nfs/dbraw/zinc/27/99/81/587279981.db2.gz LPSHJRFCSDMYJK-NSHDSACASA-N 0 3 223.272 0.585 20 10 BCCDHN Cc1ccc(O)c(CN2CCOC[C@H](O)C2)c1 ZINC000824626035 587280265 /nfs/dbraw/zinc/28/02/65/587280265.db2.gz TVGMBARXQWVFKU-GFCCVEGCSA-N 0 3 237.299 0.894 20 10 BCCDHN CO[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@H]1O ZINC000825016604 587298792 /nfs/dbraw/zinc/29/87/92/587298792.db2.gz FTZXMNSHDTUVOZ-CHWSQXEVSA-N 0 3 237.299 0.892 20 10 BCCDHN CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@H]1O ZINC000825016604 587298793 /nfs/dbraw/zinc/29/87/93/587298793.db2.gz FTZXMNSHDTUVOZ-CHWSQXEVSA-N 0 3 237.299 0.892 20 10 BCCDHN CC1(OCC(=O)Nc2ccc(N)cc2)CNC1 ZINC000843291937 588097864 /nfs/dbraw/zinc/09/78/64/588097864.db2.gz GBUCSWFBMFULBB-UHFFFAOYSA-N 0 3 235.287 0.586 20 10 BCCDHN CCON(C)C(=O)CNCc1ccccc1O ZINC000846063563 588254870 /nfs/dbraw/zinc/25/48/70/588254870.db2.gz TVOLHHOPYWLBJG-UHFFFAOYSA-N 0 3 238.287 0.892 20 10 BCCDHN CCN(C)c1ccc(CNC(CO)CO)cc1 ZINC000846939316 588297928 /nfs/dbraw/zinc/29/79/28/588297928.db2.gz MYEHSQWPBYWRAN-UHFFFAOYSA-N 0 3 238.331 0.586 20 10 BCCDHN COc1ccc([O-])c(CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000849009085 588433799 /nfs/dbraw/zinc/43/37/99/588433799.db2.gz ZSSVTBLTBVAPJH-MRVPVSSYSA-N 0 3 235.287 0.838 20 10 BCCDHN CNC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849025054 588440235 /nfs/dbraw/zinc/44/02/35/588440235.db2.gz LKWXVPHFOCKASL-UHFFFAOYSA-N 0 3 209.249 0.645 20 10 BCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CNC(=O)C1 ZINC000851841914 588634226 /nfs/dbraw/zinc/63/42/26/588634226.db2.gz ZUCSMVNCCJRVGW-SNVBAGLBSA-N 0 3 234.299 0.960 20 10 BCCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CNC(=O)C1 ZINC000851841914 588634227 /nfs/dbraw/zinc/63/42/27/588634227.db2.gz ZUCSMVNCCJRVGW-SNVBAGLBSA-N 0 3 234.299 0.960 20 10 BCCDHN O=C1OC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]12 ZINC000862545630 589219865 /nfs/dbraw/zinc/21/98/65/589219865.db2.gz ZKJSEEUTBBZMCP-GHMZBOCLSA-N 0 3 233.267 0.997 20 10 BCCDHN O=C1OC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]12 ZINC000862545630 589219866 /nfs/dbraw/zinc/21/98/66/589219866.db2.gz ZKJSEEUTBBZMCP-GHMZBOCLSA-N 0 3 233.267 0.997 20 10 BCCDHN CN(C(=O)CCOC1CNC1)c1ccc(N)cc1 ZINC000877077663 590279365 /nfs/dbraw/zinc/27/93/65/590279365.db2.gz QOINUQYTLZPTPW-UHFFFAOYSA-N 0 3 249.314 0.610 20 10 BCCDHN CN(C(=O)C1(N)CC1)c1ccc(N)cc1 ZINC000877079464 590279486 /nfs/dbraw/zinc/27/94/86/590279486.db2.gz ZOKSRFRJEPFRPF-UHFFFAOYSA-N 0 3 205.261 0.723 20 10 BCCDHN Cc1ccc(C[NH2+]C[C@]2(O)CCOC2)c([O-])c1 ZINC000877118226 590288553 /nfs/dbraw/zinc/28/85/53/590288553.db2.gz RWAOWRLMEZTNQC-CYBMUJFWSA-N 0 3 237.299 0.942 20 10 BCCDHN Cc1cccc([O-])c1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000877561360 590360229 /nfs/dbraw/zinc/36/02/29/590360229.db2.gz KPQPPZWUQVSUDG-NSHDSACASA-N 0 3 237.299 0.894 20 10 BCCDHN Cc1cccc([O-])c1C[N@H+]1CCOC[C@@H](O)C1 ZINC000877561360 590360230 /nfs/dbraw/zinc/36/02/30/590360230.db2.gz KPQPPZWUQVSUDG-NSHDSACASA-N 0 3 237.299 0.894 20 10 BCCDHN CNC(=O)C1CN(Cc2ccc(C)cc2O)C1 ZINC000877581602 590365883 /nfs/dbraw/zinc/36/58/83/590365883.db2.gz KMMMJQRLGXFEFH-UHFFFAOYSA-N 0 3 234.299 0.878 20 10 BCCDHN Cc1ccc(C[NH2+][C@@H]2COC[C@@H]2O)c([O-])c1 ZINC000877668477 590389314 /nfs/dbraw/zinc/38/93/14/590389314.db2.gz ZWLCQGOZGWHYQQ-PWSUYJOCSA-N 0 3 223.272 0.550 20 10 BCCDHN Cn1nncc1CNCc1ccccc1O ZINC000129740999 591391637 /nfs/dbraw/zinc/39/16/37/591391637.db2.gz JLZSSJWJKAGSSR-UHFFFAOYSA-N 0 3 218.260 0.811 20 10 BCCDHN Cc1ccc([O-])c(C[NH2+]CCN2CCNC2=O)c1 ZINC000886323627 592208100 /nfs/dbraw/zinc/20/81/00/592208100.db2.gz CFBXSAMPZAAIIJ-UHFFFAOYSA-N 0 3 249.314 0.815 20 10 BCCDHN [O-]c1ccccc1CNC1=[NH+]CCCN1 ZINC000066245221 632860781 /nfs/dbraw/zinc/86/07/81/632860781.db2.gz LVNFCZDNWBBPSO-UHFFFAOYSA-N 0 3 205.261 0.831 20 10 BCCDHN COCC[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000180061875 642771333 /nfs/dbraw/zinc/77/13/33/642771333.db2.gz IXCJKSVHRLSWKX-UHFFFAOYSA-N 0 3 243.278 0.972 20 10 BCCDHN COCC[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000180061875 642771346 /nfs/dbraw/zinc/77/13/46/642771346.db2.gz IXCJKSVHRLSWKX-UHFFFAOYSA-N 0 3 243.278 0.972 20 10 BCCDHN Cc1ccc(C[NH2+]CCOCCO)c([O-])c1 ZINC000083353991 643434567 /nfs/dbraw/zinc/43/45/67/643434567.db2.gz XNZPTIYGIGUXSF-UHFFFAOYSA-N 0 3 225.288 0.799 20 10 BCCDHN C[C@H]([NH2+]C[C@H](O)CO)c1ccccc1[O-] ZINC000085246036 643698134 /nfs/dbraw/zinc/69/81/34/643698134.db2.gz YYKTVORTIFKDIU-IUCAKERBSA-N 0 3 211.261 0.396 20 10 BCCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CNCCO1)CC2 ZINC000817983598 644994379 /nfs/dbraw/zinc/99/43/79/644994379.db2.gz OMTWGRLFIQZBRJ-VXGBXAGGSA-N 0 3 248.326 0.958 20 10 BCCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CNCCO1)CC2 ZINC000817983597 644995800 /nfs/dbraw/zinc/99/58/00/644995800.db2.gz OMTWGRLFIQZBRJ-RYUDHWBXSA-N 0 3 248.326 0.958 20 10 BCCDHN [O-]c1ccccc1C[NH+]1CCC(O)(CO)CC1 ZINC000827146940 645073497 /nfs/dbraw/zinc/07/34/97/645073497.db2.gz LFNJUBOJZFGWSX-UHFFFAOYSA-N 0 3 237.299 0.711 20 10 BCCDHN C[C@@H](NCc1ccc(N(C)C)cc1)C(N)=O ZINC000035142464 645977177 /nfs/dbraw/zinc/97/71/77/645977177.db2.gz ZDTKPCFCHJLCMO-SECBINFHSA-N 0 3 221.304 0.716 20 10 BCCDHN C[C@H](O)[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000929969930 646382062 /nfs/dbraw/zinc/38/20/62/646382062.db2.gz GEXUPUKDCOKKIJ-JOYOIKCWSA-N 0 3 225.288 0.566 20 10 BCCDHN C[C@H](O)[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000929969930 646382065 /nfs/dbraw/zinc/38/20/65/646382065.db2.gz GEXUPUKDCOKKIJ-JOYOIKCWSA-N 0 3 225.288 0.566 20 10 BCCDHN C[C@@H](O)[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000717309603 712646175 /nfs/dbraw/zinc/64/61/75/712646175.db2.gz VFCKCBQABNESJO-YGOYTEALSA-N 0 3 225.288 0.785 20 10 BCCDHN CCNC(=O)CNCc1cccc(OC)c1O ZINC000036780430 712494890 /nfs/dbraw/zinc/49/48/90/712494890.db2.gz HCVNFTDEICKNQD-UHFFFAOYSA-N 0 3 238.287 0.627 20 10 BCCDHN [O-]c1ccccc1C[N@H+]1CCC(CO)(CO)C1 ZINC000827474895 712593276 /nfs/dbraw/zinc/59/32/76/712593276.db2.gz NWCNWTINFAOROF-UHFFFAOYSA-N 0 3 237.299 0.569 20 10 BCCDHN [O-]c1ccccc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000827474895 712593277 /nfs/dbraw/zinc/59/32/77/712593277.db2.gz NWCNWTINFAOROF-UHFFFAOYSA-N 0 3 237.299 0.569 20 10 BCCDHN