smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(CN[C@]2(CO)CCOC2)c1O ZINC000184197430 351405019 /nfs/dbraw/zinc/40/50/19/351405019.db2.gz WHSMIFVEEODFAO-ZDUSSCGKSA-N 0 3 253.298 0.642 20 10 CCCDHN COc1ccc(O)c(CN2CC[C@H](NC(N)=O)C2)c1 ZINC000271777124 353034005 /nfs/dbraw/zinc/03/40/05/353034005.db2.gz DPKAULVTGIQDED-JTQLQIEISA-N 0 3 265.313 0.643 20 10 CCCDHN Cc1cccc(CNCCNS(=O)(=O)N(C)C)c1O ZINC000298148518 200345333 /nfs/dbraw/zinc/34/53/33/200345333.db2.gz RLBJCNUCTHNQAN-UHFFFAOYSA-N 0 3 287.385 0.186 20 10 CCCDHN Cc1cccc(C[NH2+]CCNS(=O)(=O)N(C)C)c1[O-] ZINC000298148518 200345334 /nfs/dbraw/zinc/34/53/34/200345334.db2.gz RLBJCNUCTHNQAN-UHFFFAOYSA-N 0 3 287.385 0.186 20 10 CCCDHN NCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269257802 389411199 /nfs/dbraw/zinc/41/11/99/389411199.db2.gz URIGFSCBNLFPFP-UHFFFAOYSA-N 0 3 277.368 0.470 20 10 CCCDHN COC[C@@H](O)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000153769790 261082635 /nfs/dbraw/zinc/08/26/35/261082635.db2.gz AVTSXZWJAAXOCW-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c1 ZINC000271866934 328198640 /nfs/dbraw/zinc/19/86/40/328198640.db2.gz VJXQFAJGHSTCIT-VIFPVBQESA-N 0 3 293.323 0.603 20 10 CCCDHN COC[C@H](O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000231608290 333326107 /nfs/dbraw/zinc/32/61/07/333326107.db2.gz YEWZXZGUTCVNCI-SNVBAGLBSA-N 0 3 269.297 0.608 20 10 CCCDHN COC[C@@H](O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000071267135 522419253 /nfs/dbraw/zinc/41/92/53/522419253.db2.gz NYTKVXJNOQXZTE-VIFPVBQESA-N 0 3 255.270 0.218 20 10 CCCDHN COc1cc(O)c(CN[C@H]2COC[C@@H]2OC)cc1OC ZINC000290953695 522782376 /nfs/dbraw/zinc/78/23/76/522782376.db2.gz QVAHNOUFHQGFFJ-HZMBPMFUSA-N 0 3 283.324 0.913 20 10 CCCDHN CC[C@H](CO)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000727059334 581299897 /nfs/dbraw/zinc/29/98/97/581299897.db2.gz XRISSEFJBJTHPY-CYBMUJFWSA-N 0 3 279.384 0.729 20 10 CCCDHN CN(C)C(=O)NCCN(C)Cc1cc2c(cc1O)OCO2 ZINC000757867469 581713237 /nfs/dbraw/zinc/71/32/37/581713237.db2.gz VKIBLTAEEQVVLD-UHFFFAOYSA-N 0 3 295.339 0.824 20 10 CCCDHN CN(C)CCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761908660 581925726 /nfs/dbraw/zinc/92/57/26/581925726.db2.gz UCTNFWLOVGEWJW-UHFFFAOYSA-N 0 3 294.311 0.924 20 10 CCCDHN COc1c([O-])c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774914220 582002505 /nfs/dbraw/zinc/00/25/05/582002505.db2.gz MICGFSKGMLMKOG-QWRGUYRKSA-N 0 3 293.323 0.960 20 10 CCCDHN COc1cc(C)cc(CN2CC[C@@H](NC(N)=O)C2)c1O ZINC000894092907 617175399 /nfs/dbraw/zinc/17/53/99/617175399.db2.gz AAXJZHPUEVWGQW-LLVKDONJSA-N 0 3 279.340 0.952 20 10 CCCDHN COc1ccc(CNC(=O)CNC[C@@H]2CCCO2)c(O)c1 ZINC000832177573 617253517 /nfs/dbraw/zinc/25/35/17/617253517.db2.gz ASQCMCPNTQXFSQ-ZDUSSCGKSA-N 0 3 294.351 0.786 20 10 CCCDHN COc1ccc(CNCC(=O)N(C)OC)c(O)c1OC ZINC000894989094 617256967 /nfs/dbraw/zinc/25/69/67/617256967.db2.gz RMTDAVLUUPFNMC-UHFFFAOYSA-N 0 3 284.312 0.519 20 10 CCCDHN COc1ccc(CN[C@H](C)C(=O)N(C)C)c(O)c1OC ZINC000893361223 617260229 /nfs/dbraw/zinc/26/02/29/617260229.db2.gz IRJKWUFHXSCBQA-SECBINFHSA-N 0 3 282.340 0.976 20 10 CCCDHN COc1ccc(N(C)CCN(C)C[C@H](O)[C@H](C)O)cc1 ZINC000930847692 617267108 /nfs/dbraw/zinc/26/71/08/617267108.db2.gz BPLAZKOZJLURBI-WFASDCNBSA-N 0 3 282.384 0.805 20 10 CCCDHN CC(=O)N1CCN(CC[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000876931589 613415219 /nfs/dbraw/zinc/41/52/19/613415219.db2.gz PZVKVNNNCGGECS-UHFFFAOYSA-N 0 3 291.395 0.954 20 10 CCCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322359 616164910 /nfs/dbraw/zinc/16/49/10/616164910.db2.gz DRCJNEZTVLKDEW-PLMOITTCSA-N 0 3 292.335 0.514 20 10 CCCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322359 616164911 /nfs/dbraw/zinc/16/49/11/616164911.db2.gz DRCJNEZTVLKDEW-PLMOITTCSA-N 0 3 292.335 0.514 20 10 CCCDHN COCCNCC(=O)NCc1ccc(N(C)C)cc1 ZINC000105852763 616508236 /nfs/dbraw/zinc/50/82/36/616508236.db2.gz HHYCUFGABRBIKZ-UHFFFAOYSA-N 0 3 265.357 0.605 20 10 CCCDHN CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650074 616705580 /nfs/dbraw/zinc/70/55/80/616705580.db2.gz ZTTVXNIEPJNAJX-RKDXNWHRSA-N 0 3 265.313 0.887 20 10 CCCDHN COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccccc2[O-])C1 ZINC000843434400 616724292 /nfs/dbraw/zinc/72/42/92/616724292.db2.gz KRZDHDXHOKHEQT-RYUDHWBXSA-N 0 3 265.309 0.748 20 10 CCCDHN COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000843434400 616724294 /nfs/dbraw/zinc/72/42/94/616724294.db2.gz KRZDHDXHOKHEQT-RYUDHWBXSA-N 0 3 265.309 0.748 20 10 CCCDHN COc1c([O-])c(C[NH2+][C@@H](C)CN)ccc1[N+](=O)[O-] ZINC000841065842 617149216 /nfs/dbraw/zinc/14/92/16/617149216.db2.gz HTPGOYJFXMVFGG-ZETCQYMHSA-N 0 3 255.274 0.746 20 10 CCCDHN C[C@@H](NC(=O)NC[C@H]1CNCCO1)c1ccccc1O ZINC000892185062 622651968 /nfs/dbraw/zinc/65/19/68/622651968.db2.gz YVKSQYWWLLVNIT-GHMZBOCLSA-N 0 3 279.340 0.741 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000839159646 640307276 /nfs/dbraw/zinc/30/72/76/640307276.db2.gz OEDSUSOLJRAYAB-ZDUSSCGKSA-N 0 3 255.289 0.851 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000839159646 640307278 /nfs/dbraw/zinc/30/72/78/640307278.db2.gz OEDSUSOLJRAYAB-ZDUSSCGKSA-N 0 3 255.289 0.851 20 10 CCCDHN N[C@H]1CCCCN(CC(=O)NCc2ccccc2O)C1=O ZINC000818214314 641314104 /nfs/dbraw/zinc/31/41/04/641314104.db2.gz VEUBDQOAMFLNHD-LBPRGKRZSA-N 0 3 291.351 0.348 20 10 CCCDHN Cc1ccc(CN2CCC[C@H]2CS(N)(=O)=O)c(O)c1 ZINC000876737751 646653261 /nfs/dbraw/zinc/65/32/61/646653261.db2.gz UCPATPBATSZSTA-LBPRGKRZSA-N 0 3 284.381 0.954 20 10 CCCDHN C[C@H](NS(=O)(=O)C1CNC1)c1ccccc1O ZINC000923668195 646876276 /nfs/dbraw/zinc/87/62/76/646876276.db2.gz DNTLKRURVMAPME-QMMMGPOBSA-N 0 3 256.327 0.344 20 10 CCCDHN C[C@H](NS(=O)(=O)N1CCNCC1)c1ccccc1O ZINC000923668180 646876518 /nfs/dbraw/zinc/87/65/18/646876518.db2.gz DIKIIYZMPWPJGP-JTQLQIEISA-N 0 3 285.369 0.193 20 10 CCCDHN CS(=O)(=O)C[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000927021447 648538828 /nfs/dbraw/zinc/53/88/28/648538828.db2.gz BREDTXKTGUNFNW-QWRGUYRKSA-N 0 3 285.365 0.375 20 10 CCCDHN CNS(=O)(=O)CCNCc1cc(OC)ccc1O ZINC000188541055 649353609 /nfs/dbraw/zinc/35/36/09/649353609.db2.gz QRXIUSWXIIHXTR-UHFFFAOYSA-N 0 3 274.342 0.040 20 10 CCCDHN CN1C(=O)CC[C@@H](NCc2ccc3c(c2)CCO3)C1=O ZINC000090024671 649666310 /nfs/dbraw/zinc/66/63/10/649666310.db2.gz KYZKPJGKALLIDQ-GFCCVEGCSA-N 0 3 274.320 0.859 20 10 CCCDHN COc1cc(Cl)cc(CN(C)C[C@H](O)CO)c1O ZINC001233288410 806038098 /nfs/dbraw/zinc/03/80/98/806038098.db2.gz KCMYIYFMBIKWDV-JTQLQIEISA-N 0 3 275.732 0.839 20 10 CCCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H](O)CO)c1[O-] ZINC001233288410 806038102 /nfs/dbraw/zinc/03/81/02/806038102.db2.gz KCMYIYFMBIKWDV-JTQLQIEISA-N 0 3 275.732 0.839 20 10 CCCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)CO)c1[O-] ZINC001233288410 806038108 /nfs/dbraw/zinc/03/81/08/806038108.db2.gz KCMYIYFMBIKWDV-JTQLQIEISA-N 0 3 275.732 0.839 20 10 CCCDHN COc1cc(Cl)cc(CN(C)C[C@@H](O)CO)c1O ZINC001233288411 806039541 /nfs/dbraw/zinc/03/95/41/806039541.db2.gz KCMYIYFMBIKWDV-SNVBAGLBSA-N 0 3 275.732 0.839 20 10 CCCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)CO)c1[O-] ZINC001233288411 806039552 /nfs/dbraw/zinc/03/95/52/806039552.db2.gz KCMYIYFMBIKWDV-SNVBAGLBSA-N 0 3 275.732 0.839 20 10 CCCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)CO)c1[O-] ZINC001233288411 806039560 /nfs/dbraw/zinc/03/95/60/806039560.db2.gz KCMYIYFMBIKWDV-SNVBAGLBSA-N 0 3 275.732 0.839 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(OC)c(O)cc1O ZINC001236055649 806537070 /nfs/dbraw/zinc/53/70/70/806537070.db2.gz VVHUVTSMSKNRRL-JTQLQIEISA-N 0 3 296.323 0.053 20 10 CCCDHN COc1ccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c([O-])c1 ZINC001203620343 803037061 /nfs/dbraw/zinc/03/70/61/803037061.db2.gz AGUNVLBLYAQBRK-AWEZNQCLSA-N 0 3 267.325 0.984 20 10 CCCDHN COc1ccc(C[N@H+]2CCOC[C@@](C)(O)C2)c([O-])c1 ZINC001203620343 803037068 /nfs/dbraw/zinc/03/70/68/803037068.db2.gz AGUNVLBLYAQBRK-AWEZNQCLSA-N 0 3 267.325 0.984 20 10 CCCDHN COc1ccc(CN2CCOC[C@@](C)(O)C2)c(O)c1 ZINC001203620343 803037075 /nfs/dbraw/zinc/03/70/75/803037075.db2.gz AGUNVLBLYAQBRK-AWEZNQCLSA-N 0 3 267.325 0.984 20 10 CCCDHN COc1cccc(CN2CC(N3CCN(C)CC3)C2)c1O ZINC001203601658 803037121 /nfs/dbraw/zinc/03/71/21/803037121.db2.gz FTBGIZXMPFDQHP-UHFFFAOYSA-N 0 3 291.395 0.832 20 10 CCCDHN CN1C[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1=O ZINC001204273447 803074594 /nfs/dbraw/zinc/07/45/94/803074594.db2.gz BSOKMXJJTYYABM-PWSUYJOCSA-N 0 3 262.309 0.618 20 10 CCCDHN CN1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1=O ZINC001204273447 803074600 /nfs/dbraw/zinc/07/46/00/803074600.db2.gz BSOKMXJJTYYABM-PWSUYJOCSA-N 0 3 262.309 0.618 20 10 CCCDHN COc1cc(CN2C[C@@H]3C[C@H]2CN3C)cc(O)c1O ZINC001204348923 803080604 /nfs/dbraw/zinc/08/06/04/803080604.db2.gz LGYSAXYBGVLMJL-QWRGUYRKSA-N 0 3 264.325 0.995 20 10 CCCDHN [O-]c1cccc2c1C[N@H+](C[C@@H](O)CN1CCOCC1)CC2 ZINC001251020067 807643760 /nfs/dbraw/zinc/64/37/60/807643760.db2.gz CLZUVJRECYDMEB-AWEZNQCLSA-N 0 3 292.379 0.443 20 10 CCCDHN [O-]c1cccc2c1C[N@@H+](C[C@@H](O)CN1CCOCC1)CC2 ZINC001251020067 807643761 /nfs/dbraw/zinc/64/37/61/807643761.db2.gz CLZUVJRECYDMEB-AWEZNQCLSA-N 0 3 292.379 0.443 20 10 CCCDHN C[C@@H](NC(=O)[C@H]1CNCCN1C)c1ccccc1O ZINC001263176151 809471059 /nfs/dbraw/zinc/47/10/59/809471059.db2.gz XEVYMAKUXSNAOW-ZYHUDNBSSA-N 0 3 263.341 0.473 20 10 CCCDHN CN1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(O)c(O)c1)C2 ZINC001270038198 813596259 /nfs/dbraw/zinc/59/62/59/813596259.db2.gz UUJBLVZUXVGGJG-KOLCDFICSA-N 0 3 262.309 0.874 20 10 CCCDHN COc1cc(CN2CCN3CC[C@H]3C2)cc(O)c1O ZINC001204350478 843885406 /nfs/dbraw/zinc/88/54/06/843885406.db2.gz HSIWGYSYFUCSNQ-NSHDSACASA-N 0 3 264.325 0.996 20 10 CCCDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(Cl)c1 ZINC001205972731 848202179 /nfs/dbraw/zinc/20/21/79/848202179.db2.gz ADTIAYIXZWXAAC-DGCLKSJQSA-N 0 3 286.759 0.948 20 10 CCCDHN C[C@H]([NH2+]CCC(=O)NC(N)=O)c1ccccc1[O-] ZINC001197002596 900060123 /nfs/dbraw/zinc/06/01/23/900060123.db2.gz BTEWKCOFVCALHU-QMMMGPOBSA-N 0 3 251.286 0.628 20 10 CCCDHN COc1cc([O-])c(C[NH2+]C[C@H]2COCCN2)cc1OC ZINC000530180895 333527156 /nfs/dbraw/zinc/52/71/56/333527156.db2.gz DNVZESOCPAHRBS-NSHDSACASA-N 0 3 282.340 0.487 20 10 CCCDHN CNC(=O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000044990620 524068967 /nfs/dbraw/zinc/06/89/67/524068967.db2.gz JVYHGTNWMFIYAH-UHFFFAOYSA-N 0 3 252.270 0.347 20 10 CCCDHN CNC(=O)CN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000036990278 524072005 /nfs/dbraw/zinc/07/20/05/524072005.db2.gz KAHCYTORAKJAMG-UHFFFAOYSA-N 0 3 277.368 0.692 20 10 CCCDHN CN(C)c1ccc(CNC[C@@](C)(O)CO)cc1F ZINC000794748744 581387261 /nfs/dbraw/zinc/38/72/61/581387261.db2.gz QQYXTLSWUAXRAF-CYBMUJFWSA-N 0 3 256.321 0.725 20 10 CCCDHN C[NH+]1CCC(O)(CNC(=O)c2cc([O-])cs2)CC1 ZINC000748365060 581971730 /nfs/dbraw/zinc/97/17/30/581971730.db2.gz POJOELNZWNANJN-UHFFFAOYSA-N 0 3 270.354 0.640 20 10 CCCDHN COc1cc([O-])c(C[NH2+]C[C@H]2COCCO2)cc1OC ZINC000776034354 582050146 /nfs/dbraw/zinc/05/01/46/582050146.db2.gz QPEIEIUGSWZWCM-NSHDSACASA-N 0 3 283.324 0.914 20 10 CCCDHN COC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000776173839 582055936 /nfs/dbraw/zinc/05/59/36/582055936.db2.gz ANRNDIFCXRHXGD-CQSZACIVSA-N 0 3 285.340 0.896 20 10 CCCDHN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)N)cc1 ZINC000846697177 617267104 /nfs/dbraw/zinc/26/71/04/617267104.db2.gz LYZYGXRPPMKPJI-NSHDSACASA-N 0 3 265.357 0.937 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CN)OC)c1 ZINC000884310337 617274064 /nfs/dbraw/zinc/27/40/64/617274064.db2.gz VPDLJFQWGXHGNL-PELKAZGASA-N 0 3 268.313 0.552 20 10 CCCDHN CCOc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c([O-])c1 ZINC000877765077 615510654 /nfs/dbraw/zinc/51/06/54/615510654.db2.gz XFXWQTDGDWWSDE-BETUJISGSA-N 0 3 281.352 0.824 20 10 CCCDHN CCOc1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c([O-])c1 ZINC000877765077 615510656 /nfs/dbraw/zinc/51/06/56/615510656.db2.gz XFXWQTDGDWWSDE-BETUJISGSA-N 0 3 281.352 0.824 20 10 CCCDHN CCOc1ccc(O)c(CN2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877749655 615512228 /nfs/dbraw/zinc/51/22/28/615512228.db2.gz ZTTCEHNGSOGINT-KGLIPLIRSA-N 0 3 267.325 0.718 20 10 CCCDHN C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000834565478 615951942 /nfs/dbraw/zinc/95/19/42/615951942.db2.gz ULJFEHNKXFCPLP-OAHLLOKOSA-N 0 3 294.351 0.627 20 10 CCCDHN COCCNCC(=O)NCc1ccc(OC)cc1O ZINC000832177733 616507922 /nfs/dbraw/zinc/50/79/22/616507922.db2.gz DRPHDDQZZMTTGZ-UHFFFAOYSA-N 0 3 268.313 0.253 20 10 CCCDHN COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650972 616601873 /nfs/dbraw/zinc/60/18/73/616601873.db2.gz AOOQIGWXBHRYDF-VHSXEESVSA-N 0 3 280.324 0.721 20 10 CCCDHN CNS(=O)(=O)CCN[C@@H](C)c1cccc(OC)c1O ZINC000846163054 617021143 /nfs/dbraw/zinc/02/11/43/617021143.db2.gz DQOOQGHIVLJWMG-VIFPVBQESA-N 0 3 288.369 0.601 20 10 CCCDHN COc1c([O-])c(C[NH2+][C@H](C)CN)ccc1[N+](=O)[O-] ZINC000841060233 617149235 /nfs/dbraw/zinc/14/92/35/617149235.db2.gz HTPGOYJFXMVFGG-SSDOTTSWSA-N 0 3 255.274 0.746 20 10 CCCDHN C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000187812312 625437526 /nfs/dbraw/zinc/43/75/26/625437526.db2.gz OJFGVQGYEDPRKB-SNVBAGLBSA-N 0 3 284.381 0.934 20 10 CCCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2COC[C@@H]2O)c1[O-] ZINC000323611049 633939890 /nfs/dbraw/zinc/93/98/90/633939890.db2.gz BDXOHVRSYLSKBY-ZJUUUORDSA-N 0 3 273.716 0.904 20 10 CCCDHN C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000187812292 638200722 /nfs/dbraw/zinc/20/07/22/638200722.db2.gz OJFGVQGYEDPRKB-JTQLQIEISA-N 0 3 284.381 0.934 20 10 CCCDHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccccc1O ZINC000827941172 642051569 /nfs/dbraw/zinc/05/15/69/642051569.db2.gz OOOAFFXWEGVMLF-OCCSQVGLSA-N 0 3 289.379 0.959 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1COCCN1 ZINC000863483861 645100047 /nfs/dbraw/zinc/10/00/47/645100047.db2.gz QLBZOUNWPQMKFJ-JTQLQIEISA-N 0 3 252.314 0.479 20 10 CCCDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@@H]3C1)[C@H](O)CO2 ZINC000872785709 646324360 /nfs/dbraw/zinc/32/43/60/646324360.db2.gz HRMFRAHDRVBSSU-UHIISALHSA-N 0 3 277.320 0.896 20 10 CCCDHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@@H]3C1)[C@H](O)CO2 ZINC000872785709 646324364 /nfs/dbraw/zinc/32/43/64/646324364.db2.gz HRMFRAHDRVBSSU-UHIISALHSA-N 0 3 277.320 0.896 20 10 CCCDHN Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC000877592043 646826238 /nfs/dbraw/zinc/82/62/38/646826238.db2.gz KOYGEBORSJQYDO-OLZOCXBDSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC000877592043 646826241 /nfs/dbraw/zinc/82/62/41/646826241.db2.gz KOYGEBORSJQYDO-OLZOCXBDSA-N 0 3 251.326 0.876 20 10 CCCDHN O[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000877650262 646831478 /nfs/dbraw/zinc/83/14/78/646831478.db2.gz HRIXRXSXYMMSRN-HOTGVXAUSA-N 0 3 292.379 0.185 20 10 CCCDHN Cc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)c([O-])c1 ZINC000877657803 646832830 /nfs/dbraw/zinc/83/28/30/646832830.db2.gz IUXPOQCSJNSEDH-CYBMUJFWSA-N 0 3 250.342 0.857 20 10 CCCDHN C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccccc1[O-] ZINC000877757219 646840293 /nfs/dbraw/zinc/84/02/93/646840293.db2.gz PBAROFOUWXCWAA-JTQLQIEISA-N 0 3 289.335 0.640 20 10 CCCDHN C[C@@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)c1ccccc1O ZINC000879649669 647090277 /nfs/dbraw/zinc/09/02/77/647090277.db2.gz SDMGTEBLEYZMGX-MNOVXSKESA-N 0 3 293.367 0.636 20 10 CCCDHN C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccccc1[O-] ZINC000879649272 647090302 /nfs/dbraw/zinc/09/03/02/647090302.db2.gz OTICUSSRCIXIDY-SNVBAGLBSA-N 0 3 289.335 0.640 20 10 CCCDHN NC(=O)[C@H]1COCCC12CN(Cc1cc(O)ccc1O)C2 ZINC001277657423 805932936 /nfs/dbraw/zinc/93/29/36/805932936.db2.gz QGYHVYPTYYAHMR-GFCCVEGCSA-N 0 3 292.335 0.422 20 10 CCCDHN [O-]c1ccc(F)cc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052571 806355632 /nfs/dbraw/zinc/35/56/32/806355632.db2.gz GAOFXWXCDNIKRB-CQSZACIVSA-N 0 3 265.332 0.669 20 10 CCCDHN [NH3+]CCS(=O)(=O)Nc1ccc([O-])c(Br)c1 ZINC001237616987 806702326 /nfs/dbraw/zinc/70/23/26/806702326.db2.gz SWEQXFIFCONTNV-UHFFFAOYSA-N 0 3 295.158 0.855 20 10 CCCDHN COc1cc(CN2C[C@@H](O)[C@H](CO)C2)c(O)c(OC)c1 ZINC001237668308 806709133 /nfs/dbraw/zinc/70/91/33/806709133.db2.gz BZXAHCRLOXPFMV-CMPLNLGQSA-N 0 3 283.324 0.194 20 10 CCCDHN OC[C@@H]1CN(Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141156568 799985283 /nfs/dbraw/zinc/98/52/83/799985283.db2.gz NNFQKGSOOFFWJX-GWCFXTLKSA-N 0 3 253.298 0.273 20 10 CCCDHN OC[C@H]1CCN(Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156019 799985550 /nfs/dbraw/zinc/98/55/50/799985550.db2.gz CXYZDQPQPMVLIC-RNCFNFMXSA-N 0 3 253.298 0.273 20 10 CCCDHN CS(=O)(=O)N1CC[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000400148374 803764244 /nfs/dbraw/zinc/76/42/44/803764244.db2.gz AIQBWJKMWBLQPE-ZDUSSCGKSA-N 0 3 296.392 0.745 20 10 CCCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001249178412 807546525 /nfs/dbraw/zinc/54/65/25/807546525.db2.gz QSZBSASHPXSNKE-HZMBPMFUSA-N 0 3 279.336 0.920 20 10 CCCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001249178412 807546527 /nfs/dbraw/zinc/54/65/27/807546527.db2.gz QSZBSASHPXSNKE-HZMBPMFUSA-N 0 3 279.336 0.920 20 10 CCCDHN OC[C@]1(F)CCN(Cc2c(O)cc(O)cc2O)C1 ZINC001144500122 840066946 /nfs/dbraw/zinc/06/69/46/840066946.db2.gz PITRPZARMLVMSC-LBPRGKRZSA-N 0 3 257.261 0.710 20 10 CCCDHN OC[C@H]1C[C@@H]2[C@H](C1)OCCN2Cc1c(O)cc(O)cc1O ZINC001144504320 840068575 /nfs/dbraw/zinc/06/85/75/840068575.db2.gz PHGFENOYPWEBFV-UAKXVISKSA-N 0 3 295.335 0.775 20 10 CCCDHN C[NH+](C)CCN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126392069 840252867 /nfs/dbraw/zinc/25/28/67/840252867.db2.gz NRIDJQGOSCIPLO-UHFFFAOYSA-N 0 3 293.367 0.417 20 10 CCCDHN C[C@H](NCCNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000037241480 841648585 /nfs/dbraw/zinc/64/85/85/841648585.db2.gz ZLRHUDZHLWMLFA-NSHDSACASA-N 0 3 285.413 0.952 20 10 CCCDHN C[C@@]1(CO)CC[N@H+](Cc2ccccc2[O-])C[C@H]1O ZINC001203550251 897683503 /nfs/dbraw/zinc/68/35/03/897683503.db2.gz OFXLTMQZWSMOSC-KGLIPLIRSA-N 0 3 251.326 0.957 20 10 CCCDHN C[C@@]1(CO)CC[N@@H+](Cc2ccccc2[O-])C[C@H]1O ZINC001203550251 897683516 /nfs/dbraw/zinc/68/35/16/897683516.db2.gz OFXLTMQZWSMOSC-KGLIPLIRSA-N 0 3 251.326 0.957 20 10 CCCDHN CN(C)C(=O)NCCN(C)Cc1ccc(N)cc1 ZINC001356083662 926342472 /nfs/dbraw/zinc/34/24/72/926342472.db2.gz XBXXTHKDOWMYIG-UHFFFAOYSA-N 0 3 250.346 0.972 20 10 CCCDHN CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000295000153 199292607 /nfs/dbraw/zinc/29/26/07/199292607.db2.gz IIYQNYCNXZKCGU-LLVKDONJSA-N 0 3 290.360 0.949 20 10 CCCDHN CNS(=O)(=O)CCN[C@H](C)c1cc(C)ccc1O ZINC000187185681 351532869 /nfs/dbraw/zinc/53/28/69/351532869.db2.gz YCCYODMXWCQKIR-SNVBAGLBSA-N 0 3 272.370 0.900 20 10 CCCDHN CNS(=O)(=O)CCNCc1ccc(N(C)C)cc1 ZINC000190306338 351717458 /nfs/dbraw/zinc/71/74/58/351717458.db2.gz XIFWKANGOBLSRK-UHFFFAOYSA-N 0 3 271.386 0.391 20 10 CCCDHN COc1ccc(O)c([C@H](C)N[C@@H]2COC[C@H]2O)c1 ZINC000295974269 353926559 /nfs/dbraw/zinc/92/65/59/353926559.db2.gz ODHFHIAFGNOKIT-RLCGTCKNSA-N 0 3 253.298 0.811 20 10 CCCDHN CN(CCN1CCOCC1)Cc1cc2c(cc1O)OCO2 ZINC000118947354 389138646 /nfs/dbraw/zinc/13/86/46/389138646.db2.gz OPXXQLIDBGMFEI-UHFFFAOYSA-N 0 3 294.351 0.885 20 10 CCCDHN CNCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132914779 389228802 /nfs/dbraw/zinc/22/88/02/389228802.db2.gz DBSRCDVWZCXEDZ-UHFFFAOYSA-N 0 3 281.331 0.498 20 10 CCCDHN CCOc1cccc(CN[C@@H](CO)COC)c1O ZINC000233786207 521371897 /nfs/dbraw/zinc/37/18/97/521371897.db2.gz BPDBJQIEEPFWJQ-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1)OCO2 ZINC000280243153 527606583 /nfs/dbraw/zinc/60/65/83/527606583.db2.gz IGYFSNOWBVVGQV-PWSUYJOCSA-N 0 3 295.335 0.856 20 10 CCCDHN CN1CCN(c2ccc(CNC3(C(N)=O)CC3)cc2)CC1 ZINC000792175545 581251039 /nfs/dbraw/zinc/25/10/39/581251039.db2.gz VTDNPDHBMXLSRZ-UHFFFAOYSA-N 0 3 288.395 0.546 20 10 CCCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768443582 582106662 /nfs/dbraw/zinc/10/66/62/582106662.db2.gz SXESTAHFVRSQKT-NOZJJQNGSA-N 0 3 293.319 0.813 20 10 CCCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768443582 582106663 /nfs/dbraw/zinc/10/66/63/582106663.db2.gz SXESTAHFVRSQKT-NOZJJQNGSA-N 0 3 293.319 0.813 20 10 CCCDHN COc1ccc(CN2CCC(CO)(CO)C2)c(O)c1OC ZINC000895434196 617249297 /nfs/dbraw/zinc/24/92/97/617249297.db2.gz RBNYGKRLOHOJGP-UHFFFAOYSA-N 0 3 297.351 0.586 20 10 CCCDHN COc1ccc(CNC[C@H](O)CO)cc1Cn1cccn1 ZINC000873116346 617258260 /nfs/dbraw/zinc/25/82/60/617258260.db2.gz BZNJBQHSBMSIMW-AWEZNQCLSA-N 0 3 291.351 0.383 20 10 CCCDHN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CNCCO2)c1 ZINC000828667698 617273949 /nfs/dbraw/zinc/27/39/49/617273949.db2.gz TXEPCOQYGKKVKJ-JQWIXIFHSA-N 0 3 294.351 0.957 20 10 CCCDHN CCOc1ccc(C[NH2+][C@H]2CCNC2=O)c([O-])c1 ZINC000850342537 615511222 /nfs/dbraw/zinc/51/12/22/615511222.db2.gz HEDWVWDHFUZUQJ-NSHDSACASA-N 0 3 250.298 0.769 20 10 CCCDHN CCOc1ccc(O)c(CNCC(=O)N(C)OC)c1 ZINC000895040716 615512130 /nfs/dbraw/zinc/51/21/30/615512130.db2.gz FDNRNTRKXLLDHN-UHFFFAOYSA-N 0 3 268.313 0.900 20 10 CCCDHN COC(=O)CNC(=O)CNCc1cc(C)ccc1O ZINC000877705981 616597593 /nfs/dbraw/zinc/59/75/93/616597593.db2.gz COGRZBCBOUWRJR-UHFFFAOYSA-N 0 3 266.297 0.079 20 10 CCCDHN COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648162 616604401 /nfs/dbraw/zinc/60/44/01/616604401.db2.gz AOOQIGWXBHRYDF-ZJUUUORDSA-N 0 3 280.324 0.721 20 10 CCCDHN COCC[C@@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000883111971 616627025 /nfs/dbraw/zinc/62/70/25/616627025.db2.gz VGGRTGGWNWPLGD-JTQLQIEISA-N 0 3 255.314 0.888 20 10 CCCDHN COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(F)ccc2O)C1 ZINC000843435183 616706979 /nfs/dbraw/zinc/70/69/79/616706979.db2.gz QWQAOWQTMIGCHE-CMPLNLGQSA-N 0 3 283.299 0.887 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccnn1C ZINC000922972073 639988153 /nfs/dbraw/zinc/98/81/53/639988153.db2.gz FPUFLAZPXMNXOC-ZDUSSCGKSA-N 0 3 277.324 0.958 20 10 CCCDHN O=C([C@H]1CN2CCN1CCC2)N1Cc2cccc(O)c2C1 ZINC000871203830 646119496 /nfs/dbraw/zinc/11/94/96/646119496.db2.gz SGXKBHJVHDPERO-CQSZACIVSA-N 0 3 287.363 0.624 20 10 CCCDHN CC(C)(O)CN1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233017267 806009117 /nfs/dbraw/zinc/00/91/17/806009117.db2.gz FPHXGDUTDUHNJV-UHFFFAOYSA-N 0 3 296.367 0.692 20 10 CCCDHN CC1(C)CN(Cc2c(O)cccc2F)CCN1CC(N)=O ZINC001137839015 799690326 /nfs/dbraw/zinc/69/03/26/799690326.db2.gz OAEKNXVNSMDFLL-UHFFFAOYSA-N 0 3 295.358 0.913 20 10 CCCDHN CCN(CCO)CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001138718676 799749403 /nfs/dbraw/zinc/74/94/03/799749403.db2.gz OSKLWRPLNRKSAB-UHFFFAOYSA-N 0 3 282.340 0.071 20 10 CCCDHN CN1CCOc2cc(CN3CC[C@H](CO)[C@H](O)C3)ccc21 ZINC001141140247 799984690 /nfs/dbraw/zinc/98/46/90/799984690.db2.gz JUPVAASVYKMGSH-UKRRQHHQSA-N 0 3 292.379 0.690 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001203620785 803037224 /nfs/dbraw/zinc/03/72/24/803037224.db2.gz IBURDXNCZVVKQF-RISCZKNCSA-N 0 3 267.325 0.576 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001203620785 803037233 /nfs/dbraw/zinc/03/72/33/803037233.db2.gz IBURDXNCZVVKQF-RISCZKNCSA-N 0 3 267.325 0.576 20 10 CCCDHN COCC(=O)N[C@@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204278154 803076345 /nfs/dbraw/zinc/07/63/45/803076345.db2.gz VQEUFBVOMYCCSE-GFCCVEGCSA-N 0 3 294.351 0.825 20 10 CCCDHN C[C@@]1(CO)CC[N@H+](Cc2ccc(O)cc2[O-])C[C@@H]1O ZINC001204276949 803076898 /nfs/dbraw/zinc/07/68/98/803076898.db2.gz UQKZHWZCXHBOKP-KBPBESRZSA-N 0 3 267.325 0.663 20 10 CCCDHN C[C@@]1(CO)CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@@H]1O ZINC001204276949 803076905 /nfs/dbraw/zinc/07/69/05/803076905.db2.gz UQKZHWZCXHBOKP-KBPBESRZSA-N 0 3 267.325 0.663 20 10 CCCDHN Cn1cncc1C[C@H](N)C(=O)NCc1ccccc1O ZINC001219923110 804447881 /nfs/dbraw/zinc/44/78/81/804447881.db2.gz BVFSXYBTRSFRPO-LBPRGKRZSA-N 0 3 274.324 0.312 20 10 CCCDHN COc1ccc(CN2CCOC[C@H](O)C2)c(O)c1 ZINC001203620723 844437870 /nfs/dbraw/zinc/43/78/70/844437870.db2.gz HJMUNWDPFAHFET-LLVKDONJSA-N 0 3 253.298 0.594 20 10 CCCDHN CN(C)C1(C)CN(C(=O)CN2C(=O)CSC2=S)C1 ZINC001144844578 840158836 /nfs/dbraw/zinc/15/88/36/840158836.db2.gz WRNFWKKRACHVKL-UHFFFAOYSA-N 0 3 287.410 0.009 20 10 CCCDHN CN(CC[NH+]1CCCC1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583988 840854188 /nfs/dbraw/zinc/85/41/88/840854188.db2.gz JRSPSCVKWVCVOV-UHFFFAOYSA-N 0 3 280.324 0.971 20 10 CCCDHN CO[C@H](C[NH3+])CC(=O)NCc1c([O-])cccc1F ZINC001342538536 922995253 /nfs/dbraw/zinc/99/52/53/922995253.db2.gz ZZNUVGNOSIBWFF-QMMMGPOBSA-N 0 3 256.277 0.511 20 10 CCCDHN CNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)ccc2O)C1 ZINC000092068427 349482572 /nfs/dbraw/zinc/48/25/72/349482572.db2.gz AEEZSGGRMLHWLW-GFCCVEGCSA-N 0 3 284.381 0.824 20 10 CCCDHN COCC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227216230 352041009 /nfs/dbraw/zinc/04/10/09/352041009.db2.gz CDWGTRHFSFIZKA-CQSZACIVSA-N 0 3 283.324 0.998 20 10 CCCDHN CN(C)c1ccc(CN2CC[C@H](NC(N)=O)C2)cc1 ZINC000271384555 353033570 /nfs/dbraw/zinc/03/35/70/353033570.db2.gz RXWXSNWKBUALQY-LBPRGKRZSA-N 0 3 262.357 0.995 20 10 CCCDHN COc1cccc(CN[C@H](C)C(=O)NCCF)c1O ZINC000282756437 353449542 /nfs/dbraw/zinc/44/95/42/353449542.db2.gz SXKKJMJIFMKWBZ-SECBINFHSA-N 0 3 270.304 0.965 20 10 CCCDHN CCOc1cccc(CN(CCO)CCCO)c1O ZINC000093323933 389036423 /nfs/dbraw/zinc/03/64/23/389036423.db2.gz VWINLDQUURBKLZ-UHFFFAOYSA-N 0 3 269.341 0.968 20 10 CCCDHN CCOc1cccc(C[N@H+](CCO)CCCO)c1[O-] ZINC000093323933 389036427 /nfs/dbraw/zinc/03/64/27/389036427.db2.gz VWINLDQUURBKLZ-UHFFFAOYSA-N 0 3 269.341 0.968 20 10 CCCDHN CCOc1cccc(C[N@@H+](CCO)CCCO)c1[O-] ZINC000093323933 389036430 /nfs/dbraw/zinc/03/64/30/389036430.db2.gz VWINLDQUURBKLZ-UHFFFAOYSA-N 0 3 269.341 0.968 20 10 CCCDHN Cc1cccc(CN2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000372733909 389456033 /nfs/dbraw/zinc/45/60/33/389456033.db2.gz AFTOWFMGPGDHAV-LBPRGKRZSA-N 0 3 284.381 0.954 20 10 CCCDHN CCNS(=O)(=O)[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000181556075 389688444 /nfs/dbraw/zinc/68/84/44/389688444.db2.gz ITXKRRQHMAIZKJ-GFCCVEGCSA-N 0 3 284.381 0.906 20 10 CCCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2COCCN2)cc1OC ZINC000530180894 390876025 /nfs/dbraw/zinc/87/60/25/390876025.db2.gz DNVZESOCPAHRBS-LLVKDONJSA-N 0 3 282.340 0.487 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NCCNS(C)(=O)=O)c1 ZINC000020203307 171067542 /nfs/dbraw/zinc/06/75/42/171067542.db2.gz NCXRXKXUEOXVOU-SECBINFHSA-N 0 3 288.369 0.601 20 10 CCCDHN CCN(CC)c1ccc(CNC[C@@H](O)CO)cc1 ZINC000083393595 520904883 /nfs/dbraw/zinc/90/48/83/520904883.db2.gz YSCIRPJFLFJIJN-CQSZACIVSA-N 0 3 252.358 0.976 20 10 CCCDHN COC[C@H](O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000071267133 522802329 /nfs/dbraw/zinc/80/23/29/522802329.db2.gz NYTKVXJNOQXZTE-SECBINFHSA-N 0 3 255.270 0.218 20 10 CCCDHN COCCN1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000265612552 523873049 /nfs/dbraw/zinc/87/30/49/523873049.db2.gz OILPQUHLWPXAGV-ZDUSSCGKSA-N 0 3 293.367 0.912 20 10 CCCDHN COc1cccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c1[O-] ZINC000068800172 526018677 /nfs/dbraw/zinc/01/86/77/526018677.db2.gz XYZLJLDHJUGYLC-CYBMUJFWSA-N 0 3 279.384 0.736 20 10 CCCDHN COc1ccc(O)c(CNC(=O)C(C)S(C)(=O)=O)c1 ZINC000734016556 581540812 /nfs/dbraw/zinc/54/08/12/581540812.db2.gz ZSZPUPFSNFIVNE-QMMMGPOBSA-N 0 3 287.337 0.450 20 10 CCCDHN CN(C)c1ccc(CNCCc2nnnn2C)cc1F ZINC000771871995 581822629 /nfs/dbraw/zinc/82/26/29/581822629.db2.gz ABIGJKVDAIKPTI-UHFFFAOYSA-N 0 3 278.335 0.748 20 10 CCCDHN CCOc1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)c([O-])c1 ZINC000762556382 581951132 /nfs/dbraw/zinc/95/11/32/581951132.db2.gz PXWYIIGMSFCTJM-HNNXBMFYSA-N 0 3 280.368 0.947 20 10 CCCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c([O-])c1 ZINC000775995407 582048945 /nfs/dbraw/zinc/04/89/45/582048945.db2.gz PCFMGQZMLDEOSA-NWDGAFQWSA-N 0 3 267.325 0.718 20 10 CCCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c([O-])c1 ZINC000775995407 582048948 /nfs/dbraw/zinc/04/89/48/582048948.db2.gz PCFMGQZMLDEOSA-NWDGAFQWSA-N 0 3 267.325 0.718 20 10 CCCDHN COc1cc(C)cc(CNCCS(C)(=O)=O)c1O ZINC000894207790 617175412 /nfs/dbraw/zinc/17/54/12/617175412.db2.gz YZIQZROPQDLTRE-UHFFFAOYSA-N 0 3 273.354 0.843 20 10 CCCDHN COc1cc(O)c(CN[C@H]2COC[C@H]2OC)cc1OC ZINC000839193233 617207728 /nfs/dbraw/zinc/20/77/28/617207728.db2.gz QVAHNOUFHQGFFJ-IINYFYTJSA-N 0 3 283.324 0.913 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)CN(C)C)c1 ZINC000876879720 617273859 /nfs/dbraw/zinc/27/38/59/617273859.db2.gz VMBCZJHHHPKKSV-SKDRFNHKSA-N 0 3 281.356 0.467 20 10 CCCDHN COc1cccc(CN2CCN(CCO)C[C@H]2C)c1O ZINC000825338650 617297332 /nfs/dbraw/zinc/29/73/32/617297332.db2.gz SKXYPKFLUHPLAS-GFCCVEGCSA-N 0 3 280.368 0.899 20 10 CCCDHN CCNC(=O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877142578 615050331 /nfs/dbraw/zinc/05/03/31/615050331.db2.gz TXUGAYZJVRMURW-UHFFFAOYSA-N 0 3 291.395 0.873 20 10 CCCDHN COCCOCC[N@H+](CCO)Cc1ccccc1[O-] ZINC000862468129 616541586 /nfs/dbraw/zinc/54/15/86/616541586.db2.gz CQNYNQAUJHSSHO-UHFFFAOYSA-N 0 3 269.341 0.850 20 10 CCCDHN COCCOCC[N@@H+](CCO)Cc1ccccc1[O-] ZINC000862468129 616541588 /nfs/dbraw/zinc/54/15/88/616541588.db2.gz CQNYNQAUJHSSHO-UHFFFAOYSA-N 0 3 269.341 0.850 20 10 CCCDHN COC(=O)[C@@]1(O)CCN(Cc2cc(F)ccc2O)C1 ZINC000895702962 616561299 /nfs/dbraw/zinc/56/12/99/616561299.db2.gz IEBBWBWZUGESJV-CYBMUJFWSA-N 0 3 269.272 0.641 20 10 CCCDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2cccc(OC)c2O)C1 ZINC000843435526 616724259 /nfs/dbraw/zinc/72/42/59/616724259.db2.gz VNXBUSYBTWVGHF-RYUDHWBXSA-N 0 3 295.335 0.757 20 10 CCCDHN COC(=O)[C@]1(O)CCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000895702515 616785832 /nfs/dbraw/zinc/78/58/32/616785832.db2.gz POHUFZVQZFZJIQ-HNNXBMFYSA-N 0 3 295.335 0.819 20 10 CCCDHN CNS(=O)(=O)CCC[NH2+]Cc1ccccc1[O-] ZINC000865707168 617012016 /nfs/dbraw/zinc/01/20/16/617012016.db2.gz NXDLTNRXAHLHLQ-UHFFFAOYSA-N 0 3 258.343 0.421 20 10 CCCDHN CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(C)cc2O)C1 ZINC000876814010 617033713 /nfs/dbraw/zinc/03/37/13/617033713.db2.gz IAAUYXXXBRUWER-GFCCVEGCSA-N 0 3 284.381 0.824 20 10 CCCDHN CCOCCOC[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000228414033 625399582 /nfs/dbraw/zinc/39/95/82/625399582.db2.gz CHEVMOYGEGYALH-CYBMUJFWSA-N 0 3 269.341 0.896 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1COCCN1C ZINC000858276237 644603966 /nfs/dbraw/zinc/60/39/66/644603966.db2.gz LKJJYVRQBSVSHA-NSHDSACASA-N 0 3 266.341 0.821 20 10 CCCDHN COc1cc(O)c(CN(C)[C@@]2(CO)CCOC2)cc1OC ZINC000862426559 644999345 /nfs/dbraw/zinc/99/93/45/644999345.db2.gz JRGTXCIPYVABRG-OAHLLOKOSA-N 0 3 297.351 0.993 20 10 CCCDHN Cc1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c([O-])c1 ZINC000877502216 646820263 /nfs/dbraw/zinc/82/02/63/646820263.db2.gz BTUMEEULWBPISB-UHFFFAOYSA-N 0 3 284.381 0.870 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000877592030 646826585 /nfs/dbraw/zinc/82/65/85/646826585.db2.gz KJXKWECVNYAXDA-AAEUAGOBSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000877592030 646826588 /nfs/dbraw/zinc/82/65/88/646826588.db2.gz KJXKWECVNYAXDA-AAEUAGOBSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1ccc(O)c(CN2CCN(C)C[C@H]2CO)c1 ZINC000877644141 646831939 /nfs/dbraw/zinc/83/19/39/646831939.db2.gz MMFSHFKYFYVPRZ-ZDUSSCGKSA-N 0 3 250.342 0.809 20 10 CCCDHN O[C@@H]1COC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877667318 646833956 /nfs/dbraw/zinc/83/39/56/646833956.db2.gz MVHMXLRMCCNCTH-JKSUJKDBSA-N 0 3 292.379 0.497 20 10 CCCDHN CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000927021445 648539081 /nfs/dbraw/zinc/53/90/81/648539081.db2.gz BREDTXKTGUNFNW-MNOVXSKESA-N 0 3 285.365 0.375 20 10 CCCDHN C[C@@H]([NH2+]C[C@H](O)C1(O)CCOCC1)c1ccccc1[O-] ZINC000931555214 649005176 /nfs/dbraw/zinc/00/51/76/649005176.db2.gz VGBJHCFIELATTA-RISCZKNCSA-N 0 3 281.352 0.945 20 10 CCCDHN COc1ccc(CN2CC3(C[C@H]3C(N)=O)C2)c(O)c1 ZINC001277454449 805597671 /nfs/dbraw/zinc/59/76/71/805597671.db2.gz RXIFVRVHJZMKRZ-NSHDSACASA-N 0 3 262.309 0.708 20 10 CCCDHN COc1cc(CN2CC[C@H](O)[C@@](C)(CO)C2)c(O)cc1O ZINC001231634467 805822454 /nfs/dbraw/zinc/82/24/54/805822454.db2.gz NKMKLOKGKOHREI-LSDHHAIUSA-N 0 3 297.351 0.672 20 10 CCCDHN O=C1NCC2(CCN(Cc3cc(O)c(O)cc3O)CC2)N1 ZINC001233487142 806064186 /nfs/dbraw/zinc/06/41/86/806064186.db2.gz RSUOYYOEYYCNOF-UHFFFAOYSA-N 0 3 293.323 0.451 20 10 CCCDHN C[C@H](NC(=O)[C@H]1CNCCN1C)c1ccccc1O ZINC001122192795 799165915 /nfs/dbraw/zinc/16/59/15/799165915.db2.gz XEVYMAKUXSNAOW-CMPLNLGQSA-N 0 3 263.341 0.473 20 10 CCCDHN COCCN1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2C1=O ZINC001203552617 803033984 /nfs/dbraw/zinc/03/39/84/803033984.db2.gz OXVCCUPGIUKZLY-KBPBESRZSA-N 0 3 290.363 0.929 20 10 CCCDHN COCCN1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1=O ZINC001203552617 803033987 /nfs/dbraw/zinc/03/39/87/803033987.db2.gz OXVCCUPGIUKZLY-KBPBESRZSA-N 0 3 290.363 0.929 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001204275807 803075017 /nfs/dbraw/zinc/07/50/17/803075017.db2.gz BSBXNRRJFZSKHX-GXFFZTMASA-N 0 3 253.298 0.273 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001204275807 803075024 /nfs/dbraw/zinc/07/50/24/803075024.db2.gz BSBXNRRJFZSKHX-GXFFZTMASA-N 0 3 253.298 0.273 20 10 CCCDHN COc1cc(CN2C[C@@H](F)[C@@H](N)C2)c(O)c(OC)c1 ZINC001204842790 803104179 /nfs/dbraw/zinc/10/41/79/803104179.db2.gz DSKIOSSGASUTDW-MNOVXSKESA-N 0 3 270.304 0.890 20 10 CCCDHN N[C@@H](CC1CCC1)C(=O)NCCc1cc(O)c(O)cc1O ZINC001220115065 804503547 /nfs/dbraw/zinc/50/35/47/804503547.db2.gz GDRMCEIIJYNHPM-NSHDSACASA-N 0 3 294.351 0.980 20 10 CCCDHN CN1CCC(CO)(NC(=O)Cc2ccc(N)cc2)CC1 ZINC001221407481 804808145 /nfs/dbraw/zinc/80/81/45/804808145.db2.gz YZUNYFGFFHVSCY-UHFFFAOYSA-N 0 3 277.368 0.384 20 10 CCCDHN C[C@@H](CNCc1cc2c(cc1O)OCO2)S(C)(=O)=O ZINC000697613087 815064092 /nfs/dbraw/zinc/06/40/92/815064092.db2.gz JKTXOCVQTPMRTR-QMMMGPOBSA-N 0 3 287.337 0.644 20 10 CCCDHN CNC(=O)CC[N@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249201047 807546431 /nfs/dbraw/zinc/54/64/31/807546431.db2.gz BVZRCBIQIVFOPV-UHFFFAOYSA-N 0 3 294.351 0.676 20 10 CCCDHN CNC(=O)CC[N@@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249201047 807546433 /nfs/dbraw/zinc/54/64/33/807546433.db2.gz BVZRCBIQIVFOPV-UHFFFAOYSA-N 0 3 294.351 0.676 20 10 CCCDHN Oc1ccc([C@@H](O)CNC[C@H](O)C(F)(F)F)cc1O ZINC001250956625 807625039 /nfs/dbraw/zinc/62/50/39/807625039.db2.gz CQHZVQORUVSMCF-UWVGGRQHSA-N 0 3 281.230 0.644 20 10 CCCDHN COC(=O)[C@@H](O)CN1CCc2cccc(O)c2C1 ZINC001252428781 807845670 /nfs/dbraw/zinc/84/56/70/807845670.db2.gz VCQWGATXOHYFNL-LBPRGKRZSA-N 0 3 251.282 0.284 20 10 CCCDHN O=C1NCC[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000693941434 811248356 /nfs/dbraw/zinc/24/83/56/811248356.db2.gz XVEDJURUUMNTSY-QMMMGPOBSA-N 0 3 250.254 0.099 20 10 CCCDHN CC(=O)N1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001169504105 836310614 /nfs/dbraw/zinc/31/06/14/836310614.db2.gz LGIICWRGTXJOAV-NSHDSACASA-N 0 3 250.298 0.808 20 10 CCCDHN COc1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001203621570 844441588 /nfs/dbraw/zinc/44/15/88/844441588.db2.gz XLTRVBQNPXOROP-ZWNOBZJWSA-N 0 3 253.298 0.186 20 10 CCCDHN COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001203621570 844441591 /nfs/dbraw/zinc/44/15/91/844441591.db2.gz XLTRVBQNPXOROP-ZWNOBZJWSA-N 0 3 253.298 0.186 20 10 CCCDHN [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2[O-])CC[C@H]1O ZINC001206092706 839584539 /nfs/dbraw/zinc/58/45/39/839584539.db2.gz TXVSPZWBCCYLHC-GHMZBOCLSA-N 0 3 256.733 0.940 20 10 CCCDHN Oc1cc(O)c(CN2CCC3(C2)OCCO3)c(O)c1 ZINC001144509240 840071554 /nfs/dbraw/zinc/07/15/54/840071554.db2.gz QARPAGORYVSFBW-UHFFFAOYSA-N 0 3 267.281 0.752 20 10 CCCDHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]21 ZINC001148588125 840854358 /nfs/dbraw/zinc/85/43/58/840854358.db2.gz OXUDYFUETULUIP-MWLCHTKSSA-N 0 3 292.335 0.970 20 10 CCCDHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]21 ZINC001148588125 840854366 /nfs/dbraw/zinc/85/43/66/840854366.db2.gz OXUDYFUETULUIP-MWLCHTKSSA-N 0 3 292.335 0.970 20 10 CCCDHN COC(=O)N1CC(NCc2cc(OC)c(OC)cc2O)C1 ZINC001181032417 843390121 /nfs/dbraw/zinc/39/01/21/843390121.db2.gz PUMBDQLLDOCYTH-UHFFFAOYSA-N 0 3 296.323 0.950 20 10 CCCDHN C[NH2+]C1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000386859869 853953456 /nfs/dbraw/zinc/95/34/56/853953456.db2.gz JIDKOENFZNYDIU-UHFFFAOYSA-N 0 3 250.298 0.970 20 10 CCCDHN Nc1ccc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 ZINC001336284630 920700834 /nfs/dbraw/zinc/70/08/34/920700834.db2.gz AYXJPKLMLGEXOB-CQSZACIVSA-N 0 3 289.379 0.732 20 10 CCCDHN CN(C)S(=O)(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000230992929 352123936 /nfs/dbraw/zinc/12/39/36/352123936.db2.gz BJRXIGNCKSEQKY-UHFFFAOYSA-N 0 3 276.333 0.512 20 10 CCCDHN COc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1O ZINC000288644450 353686889 /nfs/dbraw/zinc/68/68/89/353686889.db2.gz UPBLVFJLOBXLBT-GXSJLCMTSA-N 0 3 285.365 0.924 20 10 CCCDHN COc1cccc(CN2C[C@H](O)C[C@H]2CO)c1O ZINC000364327343 357109173 /nfs/dbraw/zinc/10/91/73/357109173.db2.gz YFVJMFFRLRQWLZ-WDEREUQCSA-N 0 3 253.298 0.328 20 10 CCCDHN C[N@H+]1C[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC000192532033 389042497 /nfs/dbraw/zinc/04/24/97/389042497.db2.gz YZQCAFVGVKJSIU-AOOOYVTPSA-N 0 3 262.309 0.731 20 10 CCCDHN C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC000192532033 389042502 /nfs/dbraw/zinc/04/25/02/389042502.db2.gz YZQCAFVGVKJSIU-AOOOYVTPSA-N 0 3 262.309 0.731 20 10 CCCDHN CCOc1cccc(C[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530181013 285558475 /nfs/dbraw/zinc/55/84/75/285558475.db2.gz ISJZGIBSAHFCAO-LBPRGKRZSA-N 0 3 266.341 0.869 20 10 CCCDHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)Cc1ccccc1O ZINC000126198566 519817098 /nfs/dbraw/zinc/81/70/98/519817098.db2.gz KBBSCLBSQFDABJ-AWEZNQCLSA-N 0 3 293.367 0.450 20 10 CCCDHN C[C@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794710235 581384686 /nfs/dbraw/zinc/38/46/86/581384686.db2.gz KKVACXFGJYHYNP-WFASDCNBSA-N 0 3 292.335 0.515 20 10 CCCDHN C[C@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794710235 581384687 /nfs/dbraw/zinc/38/46/87/581384687.db2.gz KKVACXFGJYHYNP-WFASDCNBSA-N 0 3 292.335 0.515 20 10 CCCDHN C[C@@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794710234 581384934 /nfs/dbraw/zinc/38/49/34/581384934.db2.gz KKVACXFGJYHYNP-SWLSCSKDSA-N 0 3 292.335 0.515 20 10 CCCDHN C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000794710234 581384936 /nfs/dbraw/zinc/38/49/36/581384936.db2.gz KKVACXFGJYHYNP-SWLSCSKDSA-N 0 3 292.335 0.515 20 10 CCCDHN CCN(C)c1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000773753370 581940665 /nfs/dbraw/zinc/94/06/65/581940665.db2.gz HSWYCKYPODEZQN-OKILXGFUSA-N 0 3 250.342 0.680 20 10 CCCDHN COc1ccc(CN2C[C@@H](O)[C@H](OC)C2)c(O)c1OC ZINC000894744564 617251628 /nfs/dbraw/zinc/25/16/28/617251628.db2.gz VRHJYVSNUCOFPG-ZYHUDNBSSA-N 0 3 283.324 0.601 20 10 CCCDHN COc1ccc(CNCC(=O)NC2CC2)c(O)c1OC ZINC000894501433 617257483 /nfs/dbraw/zinc/25/74/83/617257483.db2.gz UGMHUVITQZXYHZ-UHFFFAOYSA-N 0 3 280.324 0.778 20 10 CCCDHN COc1ccc(O)c(CN2CCOC3(CNC3)C2)c1 ZINC000853248368 617273017 /nfs/dbraw/zinc/27/30/17/617273017.db2.gz DRRWUHHQQJGOHI-UHFFFAOYSA-N 0 3 264.325 0.575 20 10 CCCDHN CCON(C)C(=O)CNCc1cc2c(cc1O)OCO2 ZINC000846063923 615337033 /nfs/dbraw/zinc/33/70/33/615337033.db2.gz YIBPJQLBUYVIGO-UHFFFAOYSA-N 0 3 282.296 0.620 20 10 CCCDHN CCOc1ccc(O)c(CN2CCOC3(CNC3)C2)c1 ZINC000853248709 615512033 /nfs/dbraw/zinc/51/20/33/615512033.db2.gz ISYKAYYBASGNTP-UHFFFAOYSA-N 0 3 278.352 0.965 20 10 CCCDHN CN(C)c1ccc([C@H](CN2C(=O)CNC2=O)N(C)C)cc1 ZINC000900185580 616019321 /nfs/dbraw/zinc/01/93/21/616019321.db2.gz OUVJOPUPMXRPRF-ZDUSSCGKSA-N 0 3 290.367 0.907 20 10 CCCDHN CN(Cc1cc2c(cc1O)OCO2)[C@]1(CO)CCOC1 ZINC000862427397 616165108 /nfs/dbraw/zinc/16/51/08/616165108.db2.gz XQEGDFVDSBDWNT-AWEZNQCLSA-N 0 3 281.308 0.704 20 10 CCCDHN COC(=O)[C@@]1(O)CCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000895702516 616560865 /nfs/dbraw/zinc/56/08/65/616560865.db2.gz POHUFZVQZFZJIQ-OAHLLOKOSA-N 0 3 295.335 0.819 20 10 CCCDHN COC(=O)CNC(=O)[C@H]1CCCN1Cc1ccccc1O ZINC000841892116 616606474 /nfs/dbraw/zinc/60/64/74/616606474.db2.gz FDUJBVQGMHNCER-GFCCVEGCSA-N 0 3 292.335 0.646 20 10 CCCDHN CS(=O)(=O)N[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000179557467 638233968 /nfs/dbraw/zinc/23/39/68/638233968.db2.gz KBXMHXGJBCUPGE-LBPRGKRZSA-N 0 3 284.381 0.906 20 10 CCCDHN C[C@H](O)[C@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000865739891 645409832 /nfs/dbraw/zinc/40/98/32/645409832.db2.gz XIDWNSYGTYCBNC-XHDPSFHLSA-N 0 3 298.358 0.494 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000877592033 646826484 /nfs/dbraw/zinc/82/64/84/646826484.db2.gz KJXKWECVNYAXDA-YPMHNXCESA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000877592033 646826487 /nfs/dbraw/zinc/82/64/87/646826487.db2.gz KJXKWECVNYAXDA-YPMHNXCESA-N 0 3 251.326 0.876 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877765263 646840801 /nfs/dbraw/zinc/84/08/01/646840801.db2.gz YTXKZMIKERZQEJ-PHIMTYICSA-N 0 3 255.289 0.564 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877765263 646840806 /nfs/dbraw/zinc/84/08/06/646840806.db2.gz YTXKZMIKERZQEJ-PHIMTYICSA-N 0 3 255.289 0.564 20 10 CCCDHN O=S(=O)(NCc1c([O-])cccc1F)[C@H]1CCC[NH2+]C1 ZINC000923676519 646939187 /nfs/dbraw/zinc/93/91/87/646939187.db2.gz JBBZQDWEKJQMJJ-VIFPVBQESA-N 0 3 288.344 0.703 20 10 CCCDHN C[C@@H](NCC(=O)N1CCNC(=O)C1)c1ccccc1O ZINC000879647608 647089990 /nfs/dbraw/zinc/08/99/90/647089990.db2.gz GCGCGGJRYNENAS-SNVBAGLBSA-N 0 3 277.324 0.001 20 10 CCCDHN C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccccc1[O-] ZINC000879647608 647089995 /nfs/dbraw/zinc/08/99/95/647089995.db2.gz GCGCGGJRYNENAS-SNVBAGLBSA-N 0 3 277.324 0.001 20 10 CCCDHN C[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccccc1[O-] ZINC000879652148 647090214 /nfs/dbraw/zinc/09/02/14/647090214.db2.gz WLWBXBORTDHTOE-JTQLQIEISA-N 0 3 277.324 0.985 20 10 CCCDHN Cn1ccn2c(CC[NH2+]Cc3ccccc3[O-])nnc2c1=O ZINC000886285357 647954651 /nfs/dbraw/zinc/95/46/51/647954651.db2.gz GXRZCGSKUXHLKO-UHFFFAOYSA-N 0 3 299.334 0.466 20 10 CCCDHN COC(=O)[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1[NH3+] ZINC001236351464 806582036 /nfs/dbraw/zinc/58/20/36/806582036.db2.gz USFCNESUFPSJHG-GXSJLCMTSA-N 0 3 284.743 0.978 20 10 CCCDHN C[C@@]1(CO)CCN(Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156124 799984940 /nfs/dbraw/zinc/98/49/40/799984940.db2.gz FZRUFVSRKGLSHN-KGLIPLIRSA-N 0 3 267.325 0.663 20 10 CCCDHN O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)CN1CCCC1 ZINC001141654681 800028195 /nfs/dbraw/zinc/02/81/95/800028195.db2.gz VEAJVBURUVGNSN-GFCCVEGCSA-N 0 3 294.351 0.213 20 10 CCCDHN N[C@H](Cc1c[nH]cn1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872023 802036793 /nfs/dbraw/zinc/03/67/93/802036793.db2.gz GFIWYUZIQJLYHH-CYBMUJFWSA-N 0 3 286.335 0.570 20 10 CCCDHN N[C@H]1CN(Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001206675134 802164492 /nfs/dbraw/zinc/16/44/92/802164492.db2.gz HEGXJPJNWZBOSQ-NSHDSACASA-N 0 3 274.267 0.972 20 10 CCCDHN Cc1ccc(C[NH2+]CCN2CCNC2=S)c([O-])c1 ZINC001207870031 803459915 /nfs/dbraw/zinc/45/99/15/803459915.db2.gz YXSBHLNKUGDVPK-UHFFFAOYSA-N 0 3 265.382 0.980 20 10 CCCDHN COc1ccc(O)c(CNC[C@@H](C)S(C)(=O)=O)c1 ZINC000697584438 815059744 /nfs/dbraw/zinc/05/97/44/815059744.db2.gz YMCYXLQFMRZCPI-SECBINFHSA-N 0 3 273.354 0.924 20 10 CCCDHN COC[C@@H]1C[C@@H](O)CN1Cc1ccc(OC)c(OC)c1O ZINC001262372990 809294015 /nfs/dbraw/zinc/29/40/15/809294015.db2.gz JAEVSLOTPYNYOG-NWDGAFQWSA-N 0 3 297.351 0.991 20 10 CCCDHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])N1CCOCC1 ZINC000388685713 809664366 /nfs/dbraw/zinc/66/43/66/809664366.db2.gz RMHNGTPKFZHMDH-UHFFFAOYSA-N 0 3 268.288 0.480 20 10 CCCDHN [NH3+][C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H]1O ZINC001205351986 844547355 /nfs/dbraw/zinc/54/73/55/844547355.db2.gz CHITVIRCKGANFP-MWLCHTKSSA-N 0 3 287.157 0.659 20 10 CCCDHN CN(CCO)CCN(C)C(=O)c1cccc(O)c1O ZINC000691249592 855583445 /nfs/dbraw/zinc/58/34/45/855583445.db2.gz KDZBGPYSEDCKFC-UHFFFAOYSA-N 0 3 268.313 0.094 20 10 CCCDHN NC(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC001319931759 910359425 /nfs/dbraw/zinc/35/94/25/910359425.db2.gz CIGFUNCVIOJIBC-ZDUSSCGKSA-N 0 3 292.335 0.515 20 10 CCCDHN COCCOC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000294973481 199277478 /nfs/dbraw/zinc/27/74/78/199277478.db2.gz OOMOKILQRPKMAC-CYBMUJFWSA-N 0 3 269.341 0.848 20 10 CCCDHN COCCOC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000294973481 199277480 /nfs/dbraw/zinc/27/74/80/199277480.db2.gz OOMOKILQRPKMAC-CYBMUJFWSA-N 0 3 269.341 0.848 20 10 CCCDHN COc1ccc(O)c(CN[C@H]2CCS(=O)(=O)C2)c1 ZINC000020086657 348076548 /nfs/dbraw/zinc/07/65/48/348076548.db2.gz LDCZJTAVCMTTPL-JTQLQIEISA-N 0 3 271.338 0.678 20 10 CCCDHN Cc1cccc(CNCCNS(C)(=O)=O)c1O ZINC000124639530 389161310 /nfs/dbraw/zinc/16/13/10/389161310.db2.gz QRBQUSVFKUSFPC-UHFFFAOYSA-N 0 3 258.343 0.339 20 10 CCCDHN Cc1cccc(C[NH2+]CCNS(C)(=O)=O)c1[O-] ZINC000124639530 389161314 /nfs/dbraw/zinc/16/13/14/389161314.db2.gz QRBQUSVFKUSFPC-UHFFFAOYSA-N 0 3 258.343 0.339 20 10 CCCDHN CC(C)NC(=O)CNCc1cc2c(cc1O)OCO2 ZINC000042879789 174901523 /nfs/dbraw/zinc/90/15/23/174901523.db2.gz JNNMXJQQXMRERX-UHFFFAOYSA-N 0 3 266.297 0.735 20 10 CCCDHN COCCN(C)CCCNC(=O)Cc1ccc(N)cc1 ZINC000262684058 523577002 /nfs/dbraw/zinc/57/70/02/523577002.db2.gz XCUWXSQAZKSNAW-UHFFFAOYSA-N 0 3 279.384 0.896 20 10 CCCDHN COCCN1CC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000264618441 523867150 /nfs/dbraw/zinc/86/71/50/523867150.db2.gz RBLJKRKVBSBZRK-GFCCVEGCSA-N 0 3 294.351 0.931 20 10 CCCDHN C[C@@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040855888 524985363 /nfs/dbraw/zinc/98/53/63/524985363.db2.gz MUNDELMPBLIOFL-GFCCVEGCSA-N 0 3 277.368 0.829 20 10 CCCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)CN(C)C)c1 ZINC000756557318 581671311 /nfs/dbraw/zinc/67/13/11/581671311.db2.gz SCSPCZMINJIXGX-JQWIXIFHSA-N 0 3 296.367 0.752 20 10 CCCDHN CCOc1ccc([O-])c(C[NH2+]CCc2nnnn2C)c1 ZINC000771874428 581831909 /nfs/dbraw/zinc/83/19/09/581831909.db2.gz ARSANXREBZBWIZ-UHFFFAOYSA-N 0 3 277.328 0.647 20 10 CCCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC(N)=O)c1 ZINC000775370755 582020987 /nfs/dbraw/zinc/02/09/87/582020987.db2.gz QHDQKNGNDLFSJL-JGVFFNPUSA-N 0 3 281.312 0.635 20 10 CCCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC(N)=O)c1 ZINC000775370756 582021291 /nfs/dbraw/zinc/02/12/91/582021291.db2.gz QHDQKNGNDLFSJL-SFYZADRCSA-N 0 3 281.312 0.635 20 10 CCCDHN COc1cc(C)cc(CN[C@@H]2CCS(=O)(=O)C2)c1O ZINC000893870935 617176058 /nfs/dbraw/zinc/17/60/58/617176058.db2.gz GMWAVIPVMXCOPX-LLVKDONJSA-N 0 3 285.365 0.986 20 10 CCCDHN COc1cc(O)c(CN(C)CCNC(C)=O)cc1OC ZINC000842634509 617207449 /nfs/dbraw/zinc/20/74/49/617207449.db2.gz DXBOTWVOSVKHLB-UHFFFAOYSA-N 0 3 282.340 0.977 20 10 CCCDHN COc1ccc(CNCC(=O)N(C)C)c(O)c1OC ZINC000893345836 617257150 /nfs/dbraw/zinc/25/71/50/617257150.db2.gz YPGUUNLVUGBEJJ-UHFFFAOYSA-N 0 3 268.313 0.587 20 10 CCCDHN COc1ccc(CNC[C@@H](O)CO)cc1Cn1cccn1 ZINC000873116347 617257810 /nfs/dbraw/zinc/25/78/10/617257810.db2.gz BZNJBQHSBMSIMW-CQSZACIVSA-N 0 3 291.351 0.383 20 10 CCCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)CO)cc1 ZINC000930850691 617267175 /nfs/dbraw/zinc/26/71/75/617267175.db2.gz YHEICEYQWWDGHE-CYBMUJFWSA-N 0 3 268.357 0.416 20 10 CCCDHN COc1cccc(O)c1CN1CC[C@@H](O)[C@@H](O)C1 ZINC000877749027 617305308 /nfs/dbraw/zinc/30/53/08/617305308.db2.gz PMABCYITWMANIS-NEPJUHHUSA-N 0 3 253.298 0.328 20 10 CCCDHN CCCN(CC(=O)NC(N)=O)Cc1ccccc1O ZINC000130728817 614555976 /nfs/dbraw/zinc/55/59/76/614555976.db2.gz KLNQQAUHROTIIE-UHFFFAOYSA-N 0 3 265.313 0.799 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CCC(CO)(CO)C2)c([O-])c1 ZINC000827474500 615510094 /nfs/dbraw/zinc/51/00/94/615510094.db2.gz AVGWOXKFXIEFNI-UHFFFAOYSA-N 0 3 281.352 0.968 20 10 CCCDHN CCOc1ccc(C[N@H+]2CCC(CO)(CO)C2)c([O-])c1 ZINC000827474500 615510097 /nfs/dbraw/zinc/51/00/97/615510097.db2.gz AVGWOXKFXIEFNI-UHFFFAOYSA-N 0 3 281.352 0.968 20 10 CCCDHN CNC(=O)NC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648739 616696219 /nfs/dbraw/zinc/69/62/19/616696219.db2.gz BQPDVIOEFZYWCT-SECBINFHSA-N 0 3 265.313 0.889 20 10 CCCDHN CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652328 616698625 /nfs/dbraw/zinc/69/86/25/616698625.db2.gz CFGYEKVOUFFICR-QMMMGPOBSA-N 0 3 251.286 0.498 20 10 CCCDHN CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653983 616705813 /nfs/dbraw/zinc/70/58/13/616705813.db2.gz ZTTVXNIEPJNAJX-DTWKUNHWSA-N 0 3 265.313 0.887 20 10 CCCDHN COCCN(C)CCNC(=O)NCc1c(O)cccc1F ZINC000916332772 616959498 /nfs/dbraw/zinc/95/94/98/616959498.db2.gz YULYMBOZYRZVTD-UHFFFAOYSA-N 0 3 299.346 0.909 20 10 CCCDHN O=C1NCCN1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000895813249 632160597 /nfs/dbraw/zinc/16/05/97/632160597.db2.gz AVYOHFSERFVPNS-UHFFFAOYSA-N 0 3 253.277 0.646 20 10 CCCDHN Cc1ccc(C(=O)N[C@H](CO)CN2CCCC2)c(O)c1O ZINC000908201675 635313903 /nfs/dbraw/zinc/31/39/03/635313903.db2.gz GIBQMXNHOHQTBH-NSHDSACASA-N 0 3 294.351 0.593 20 10 CCCDHN O=C(C[NH2+]Cc1ccccc1[O-])N1CCOCC1 ZINC000164840678 636884204 /nfs/dbraw/zinc/88/42/04/636884204.db2.gz CJFPZSAKLMJANH-UHFFFAOYSA-N 0 3 250.298 0.341 20 10 CCCDHN O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1CNC1 ZINC000923586103 640195524 /nfs/dbraw/zinc/19/55/24/640195524.db2.gz BCELSVIXILLACM-UHFFFAOYSA-N 0 3 295.408 0.678 20 10 CCCDHN NC(=O)CCNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819360284 641404011 /nfs/dbraw/zinc/40/40/11/641404011.db2.gz LAVOAGQEIXQGLB-UHFFFAOYSA-N 0 3 299.321 0.766 20 10 CCCDHN C[C@@H](O)[C@@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000865739888 645409940 /nfs/dbraw/zinc/40/99/40/645409940.db2.gz XIDWNSYGTYCBNC-ABAIWWIYSA-N 0 3 298.358 0.494 20 10 CCCDHN Cc1ccc(CN2CC[C@@H](S(N)(=O)=O)C2)c(O)c1 ZINC000877464047 646817876 /nfs/dbraw/zinc/81/78/76/646817876.db2.gz IZLQACAYYOTLEU-LLVKDONJSA-N 0 3 270.354 0.563 20 10 CCCDHN Cc1ccc(C[NH2+]CCCn2cc(CO)nn2)c([O-])c1 ZINC000877540265 646822325 /nfs/dbraw/zinc/82/23/25/646822325.db2.gz VDRUMCYMOBSEAZ-UHFFFAOYSA-N 0 3 276.340 0.964 20 10 CCCDHN Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC000877592045 646826632 /nfs/dbraw/zinc/82/66/32/646826632.db2.gz KOYGEBORSJQYDO-STQMWFEESA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC000877592045 646826634 /nfs/dbraw/zinc/82/66/34/646826634.db2.gz KOYGEBORSJQYDO-STQMWFEESA-N 0 3 251.326 0.876 20 10 CCCDHN C[C@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1ccccc1[O-] ZINC000879650318 647089620 /nfs/dbraw/zinc/08/96/20/647089620.db2.gz UDTVJSAREARKPU-VHSXEESVSA-N 0 3 277.324 0.983 20 10 CCCDHN C[C@H]([NH2+]C[C@H](O)C1(O)CCOCC1)c1ccccc1[O-] ZINC000931555213 649005324 /nfs/dbraw/zinc/00/53/24/649005324.db2.gz VGBJHCFIELATTA-FZMZJTMJSA-N 0 3 281.352 0.945 20 10 CCCDHN O=C1NCC2(CCN(Cc3cc(O)c(O)cc3O)CC2)O1 ZINC001233486240 806061863 /nfs/dbraw/zinc/06/18/63/806061863.db2.gz FAUAOSKNBHTDQO-UHFFFAOYSA-N 0 3 294.307 0.878 20 10 CCCDHN COc1cc(CN2CC[C@@H](CO)[C@H](O)C2)c(O)c(OC)c1 ZINC001237669841 806708916 /nfs/dbraw/zinc/70/89/16/806708916.db2.gz PGOFTMHYKICYMZ-GXFFZTMASA-N 0 3 297.351 0.585 20 10 CCCDHN NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278254703 806792031 /nfs/dbraw/zinc/79/20/31/806792031.db2.gz DWNYQSWYDWCQTK-NOZJJQNGSA-N 0 3 250.273 0.839 20 10 CCCDHN NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278254703 806792033 /nfs/dbraw/zinc/79/20/33/806792033.db2.gz DWNYQSWYDWCQTK-NOZJJQNGSA-N 0 3 250.273 0.839 20 10 CCCDHN NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2O1 ZINC001278255183 806792596 /nfs/dbraw/zinc/79/25/96/806792596.db2.gz NTXPVOSOWJKPIW-OSMZGAPFSA-N 0 3 294.326 0.996 20 10 CCCDHN NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2O1 ZINC001278255183 806792604 /nfs/dbraw/zinc/79/26/04/806792604.db2.gz NTXPVOSOWJKPIW-OSMZGAPFSA-N 0 3 294.326 0.996 20 10 CCCDHN O[C@H]1COC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001203332298 803026276 /nfs/dbraw/zinc/02/62/76/803026276.db2.gz OVMIJEXZEVJWNF-HIFRSBDPSA-N 0 3 296.342 0.512 20 10 CCCDHN CNC(=O)CC[N@H+](C)Cc1ccc(OC)cc1[O-] ZINC000179413183 803745311 /nfs/dbraw/zinc/74/53/11/803745311.db2.gz MWJMCVRZXHZDRP-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN CNC(=O)CC[N@@H+](C)Cc1ccc(OC)cc1[O-] ZINC000179413183 803745318 /nfs/dbraw/zinc/74/53/18/803745318.db2.gz MWJMCVRZXHZDRP-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN NC(=O)[C@H]1CCSC12CN(Cc1ccc(O)cc1O)C2 ZINC001277192027 805333827 /nfs/dbraw/zinc/33/38/27/805333827.db2.gz JQDKJHIPWHCAIS-LLVKDONJSA-N 0 3 294.376 0.891 20 10 CCCDHN COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c([O-])c1 ZINC001249178595 807545885 /nfs/dbraw/zinc/54/58/85/807545885.db2.gz SSCXHJBEWVLPQW-ZDUSSCGKSA-N 0 3 295.335 0.301 20 10 CCCDHN COC(=O)Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)c([O-])c1 ZINC001249178595 807545892 /nfs/dbraw/zinc/54/58/92/807545892.db2.gz SSCXHJBEWVLPQW-ZDUSSCGKSA-N 0 3 295.335 0.301 20 10 CCCDHN COC(=O)Cc1ccc(CN2CCOC[C@@H](O)C2)c(O)c1 ZINC001249178595 807545895 /nfs/dbraw/zinc/54/58/95/807545895.db2.gz SSCXHJBEWVLPQW-ZDUSSCGKSA-N 0 3 295.335 0.301 20 10 CCCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CNCCN1C ZINC001263100883 809443275 /nfs/dbraw/zinc/44/32/75/809443275.db2.gz BEXAPJMUVVYWJD-OAHLLOKOSA-N 0 3 290.411 0.581 20 10 CCCDHN C[NH+]1CC2(C1)CCN(C(=O)c1cc(O)c([O-])c(O)c1)CC2 ZINC001270069426 813612148 /nfs/dbraw/zinc/61/21/48/813612148.db2.gz KZHXESNMAFFBSN-UHFFFAOYSA-N 0 3 292.335 0.971 20 10 CCCDHN O=S1(=O)CCC(O)(C[NH2+]Cc2ccccc2[O-])CC1 ZINC001117104556 855913998 /nfs/dbraw/zinc/91/39/98/855913998.db2.gz NTXLWUPVWYPVII-UHFFFAOYSA-N 0 3 285.365 0.422 20 10 CCCDHN C[C@]1(CO)CC[N@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC001203550252 897682195 /nfs/dbraw/zinc/68/21/95/897682195.db2.gz OFXLTMQZWSMOSC-UONOGXRCSA-N 0 3 251.326 0.957 20 10 CCCDHN C[C@]1(CO)CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC001203550252 897682200 /nfs/dbraw/zinc/68/22/00/897682200.db2.gz OFXLTMQZWSMOSC-UONOGXRCSA-N 0 3 251.326 0.957 20 10 CCCDHN CN1CC[NH2+]C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001358167295 926649814 /nfs/dbraw/zinc/64/98/14/926649814.db2.gz GCUHDQTWKVGYDN-LLVKDONJSA-N 0 3 267.304 0.051 20 10 CCCDHN CCN(CCO)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000187569257 351546912 /nfs/dbraw/zinc/54/69/12/351546912.db2.gz JFZQDXYKHLMAFP-UHFFFAOYSA-N 0 3 256.321 0.935 20 10 CCCDHN CCN(C)C(=O)CNCc1cc(OC)c(OC)cc1O ZINC000187676205 351552754 /nfs/dbraw/zinc/55/27/54/351552754.db2.gz IOCJFTMPKXRYFC-UHFFFAOYSA-N 0 3 282.340 0.977 20 10 CCCDHN COC(=O)c1cn(CC[NH2+]Cc2cccc(C)c2[O-])nn1 ZINC000284877075 353557299 /nfs/dbraw/zinc/55/72/99/353557299.db2.gz DUEROLHEUWKKSJ-UHFFFAOYSA-N 0 3 290.323 0.869 20 10 CCCDHN O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)N1 ZINC000193467384 389070599 /nfs/dbraw/zinc/07/05/99/389070599.db2.gz IWPKRWDVWUIUDN-CQSZACIVSA-N 0 3 293.298 0.705 20 10 CCCDHN O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)N1 ZINC000193467384 389070602 /nfs/dbraw/zinc/07/06/02/389070602.db2.gz IWPKRWDVWUIUDN-CQSZACIVSA-N 0 3 293.298 0.705 20 10 CCCDHN C[C@H](C[S@@](C)=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000168189420 389449833 /nfs/dbraw/zinc/44/98/33/389449833.db2.gz HTPAEJQIPISOEO-CVJBHZAOSA-N 0 3 271.338 0.978 20 10 CCCDHN C[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccccc1[O-] ZINC000020203144 171067908 /nfs/dbraw/zinc/06/79/08/171067908.db2.gz JKAJVTUTCAZQPS-SECBINFHSA-N 0 3 258.343 0.592 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2COCCO2)c1 ZINC000038060640 174071633 /nfs/dbraw/zinc/07/16/33/174071633.db2.gz TYXVMLMWBJPIHO-GFCCVEGCSA-N 0 3 253.298 0.906 20 10 CCCDHN COc1cccc(C[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000179021680 327798139 /nfs/dbraw/zinc/79/81/39/327798139.db2.gz HDLIMFQOUBGTHL-ZDUSSCGKSA-N 0 3 253.298 0.642 20 10 CCCDHN CC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236918469 522329164 /nfs/dbraw/zinc/32/91/64/522329164.db2.gz BCOZDVXMTYEIMG-AWEZNQCLSA-N 0 3 277.368 0.877 20 10 CCCDHN CO[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1OC ZINC000234841950 523739186 /nfs/dbraw/zinc/73/91/86/523739186.db2.gz FAESLCIYYULKIG-OKILXGFUSA-N 0 3 281.308 0.967 20 10 CCCDHN COC[C@H](CO)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000793325822 581294921 /nfs/dbraw/zinc/29/49/21/581294921.db2.gz VYVKTWRCFHVIRW-HNNXBMFYSA-N 0 3 293.411 0.535 20 10 CCCDHN C[C@H](NCC(=O)N1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000775829929 582042017 /nfs/dbraw/zinc/04/20/17/582042017.db2.gz AXZYIEFKYRMTEL-NSHDSACASA-N 0 3 290.367 0.955 20 10 CCCDHN CC(=O)N1CCN(CC[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876931754 613415340 /nfs/dbraw/zinc/41/53/40/613415340.db2.gz UXVOWNOWTSFRCY-UHFFFAOYSA-N 0 3 291.395 0.954 20 10 CCCDHN CCON(C)C(=O)CNCc1cccc(OC)c1O ZINC000846062602 615337583 /nfs/dbraw/zinc/33/75/83/615337583.db2.gz IQKJIGVACLJIAD-UHFFFAOYSA-N 0 3 268.313 0.900 20 10 CCCDHN CCOc1cccc(CN2CC[C@@](O)(C(=O)OC)C2)c1O ZINC000895708568 615516301 /nfs/dbraw/zinc/51/63/01/615516301.db2.gz SLOOKXCUFLVBSX-HNNXBMFYSA-N 0 3 295.335 0.901 20 10 CCCDHN CN(C)c1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000808751106 616014252 /nfs/dbraw/zinc/01/42/52/616014252.db2.gz RERWXMMXUDJYRH-UKRRQHHQSA-N 0 3 264.369 0.928 20 10 CCCDHN C[N@@H+]1CCC[C@](O)(CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928710716 616218742 /nfs/dbraw/zinc/21/87/42/616218742.db2.gz WFEMSDZASWMWJQ-HNNXBMFYSA-N 0 3 296.342 0.994 20 10 CCCDHN C[N@H+]1CCC[C@](O)(CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928710716 616218743 /nfs/dbraw/zinc/21/87/43/616218743.db2.gz WFEMSDZASWMWJQ-HNNXBMFYSA-N 0 3 296.342 0.994 20 10 CCCDHN C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]21 ZINC000834310034 616329309 /nfs/dbraw/zinc/32/93/09/616329309.db2.gz BRHHNRJRKHRICO-KOLCDFICSA-N 0 3 262.309 0.874 20 10 CCCDHN C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]21 ZINC000834310034 616329315 /nfs/dbraw/zinc/32/93/15/616329315.db2.gz BRHHNRJRKHRICO-KOLCDFICSA-N 0 3 262.309 0.874 20 10 CCCDHN COCCNCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828666135 616508538 /nfs/dbraw/zinc/50/85/38/616508538.db2.gz AAROREBDDQODAM-SNVBAGLBSA-N 0 3 282.340 0.814 20 10 CCCDHN COCC[C@@H](N)C(=O)NCc1ccc(OC)cc1O ZINC000884334813 616635706 /nfs/dbraw/zinc/63/57/06/616635706.db2.gz CGSBYKFIVPFIQH-LLVKDONJSA-N 0 3 268.313 0.381 20 10 CCCDHN CNS(=O)(=O)CCNCc1ccc(N(C)C)cc1C ZINC000840940424 617021656 /nfs/dbraw/zinc/02/16/56/617021656.db2.gz YWXQYOYAPIKZQG-UHFFFAOYSA-N 0 3 285.413 0.700 20 10 CCCDHN CO[C@@H](CN)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315468 617164094 /nfs/dbraw/zinc/16/40/94/617164094.db2.gz POKSBGBHMVBQHB-AWEZNQCLSA-N 0 3 278.352 0.861 20 10 CCCDHN CCN1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015104025 650526689 /nfs/dbraw/zinc/52/66/89/650526689.db2.gz PJDZAUUSUFRJDS-NSHDSACASA-N 0 3 279.340 0.923 20 10 CCCDHN [O-]c1ccc(F)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000862552460 645005202 /nfs/dbraw/zinc/00/52/02/645005202.db2.gz ZIFVCTPTQMJOLB-LBPRGKRZSA-N 0 3 254.305 0.688 20 10 CCCDHN Cc1cccc(O)c1CN1CCN2C(=O)NC[C@H]2C1 ZINC000876799218 646667536 /nfs/dbraw/zinc/66/75/36/646667536.db2.gz BAPJILOBWHOBFB-NSHDSACASA-N 0 3 261.325 0.910 20 10 CCCDHN C[C@@H](NC(=O)[C@@H](N)CN(C)C)c1ccccc1O ZINC000877255633 646771236 /nfs/dbraw/zinc/77/12/36/646771236.db2.gz GBCNHPKPEQYEEO-KOLCDFICSA-N 0 3 251.330 0.458 20 10 CCCDHN Cc1ccc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c(O)c1 ZINC000877578170 646825753 /nfs/dbraw/zinc/82/57/53/646825753.db2.gz XIRHPUSLQLJINL-JSGCOSHPSA-N 0 3 276.336 0.790 20 10 CCCDHN C[C@@H]([NH2+]C[C@H](O)C[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000931555251 649005193 /nfs/dbraw/zinc/00/51/93/649005193.db2.gz WBFQRLWCUIINFK-LALPHHSUSA-N 0 3 281.352 0.945 20 10 CCCDHN COc1cc(N(C)C)ccc1CN1C[C@@H](O)[C@H](CO)C1 ZINC001231849720 805863219 /nfs/dbraw/zinc/86/32/19/805863219.db2.gz XJDOGONFORBAID-GXTWGEPZSA-N 0 3 280.368 0.546 20 10 CCCDHN CCc1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001236783303 806609090 /nfs/dbraw/zinc/60/90/90/806609090.db2.gz JUSNSYDNNVXZCN-TZMCWYRMSA-N 0 3 251.326 0.740 20 10 CCCDHN CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001236783303 806609093 /nfs/dbraw/zinc/60/90/93/806609093.db2.gz JUSNSYDNNVXZCN-TZMCWYRMSA-N 0 3 251.326 0.740 20 10 CCCDHN Cc1c(O)ccc(CN2CCN3CCOC[C@@H]3C2)c1O ZINC001140743822 799938442 /nfs/dbraw/zinc/93/84/42/799938442.db2.gz AEWCDZZIECWZDQ-ZDUSSCGKSA-N 0 3 278.352 0.923 20 10 CCCDHN COc1ccc(CN2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001203627609 803038945 /nfs/dbraw/zinc/03/89/45/803038945.db2.gz KXAPQUULEYLJTO-UHFFFAOYSA-N 0 3 264.325 0.921 20 10 CCCDHN Nc1ccc(CC(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)cc1 ZINC001219849683 804432409 /nfs/dbraw/zinc/43/24/09/804432409.db2.gz FKNMTEUVJFCHKU-KCQAQPDRSA-N 0 3 275.352 0.447 20 10 CCCDHN C[C@@H](CC(=O)N1CCOCC1)NCc1ccc(O)c(O)c1 ZINC001256326386 808496902 /nfs/dbraw/zinc/49/69/02/808496902.db2.gz MLQNPQSJMNEWSB-NSHDSACASA-N 0 3 294.351 0.825 20 10 CCCDHN CN(C)c1ccc(CNC(=O)[C@H]2CNCCN2C)cc1F ZINC001263097964 809441610 /nfs/dbraw/zinc/44/16/10/809441610.db2.gz NZYMVQPDGUKBMD-CQSZACIVSA-N 0 3 294.374 0.412 20 10 CCCDHN Cc1c(O)ccc(CN2CCOC[C@](C)(O)C2)c1O ZINC001140744511 811378535 /nfs/dbraw/zinc/37/85/35/811378535.db2.gz ZVOCACZSUIAXNJ-CQSZACIVSA-N 0 3 267.325 0.989 20 10 CCCDHN C[N@@H+]1CCC2(CN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC001269608092 813444300 /nfs/dbraw/zinc/44/43/00/813444300.db2.gz SYFUAJYAKFZNSJ-UHFFFAOYSA-N 0 3 262.309 0.876 20 10 CCCDHN C[N@H+]1CCC2(CN(C(=O)c3cccc(O)c3[O-])C2)C1 ZINC001269608092 813444306 /nfs/dbraw/zinc/44/43/06/813444306.db2.gz SYFUAJYAKFZNSJ-UHFFFAOYSA-N 0 3 262.309 0.876 20 10 CCCDHN COC(=O)CN1CCN(Cc2c(C)cccc2O)CC1 ZINC001237488983 817509133 /nfs/dbraw/zinc/50/91/33/817509133.db2.gz BBPOWKUKFXPCKV-UHFFFAOYSA-N 0 3 278.352 0.991 20 10 CCCDHN OC[C@@]1(F)CCN(Cc2c(O)cc(O)cc2O)C1 ZINC001144500120 840067111 /nfs/dbraw/zinc/06/71/11/840067111.db2.gz PITRPZARMLVMSC-GFCCVEGCSA-N 0 3 257.261 0.710 20 10 CCCDHN CCN(CC)CC(=O)NCCc1cc(O)c(O)cc1O ZINC001180390104 843160637 /nfs/dbraw/zinc/16/06/37/843160637.db2.gz IULWUUPFXYOQEU-UHFFFAOYSA-N 0 3 282.340 0.804 20 10 CCCDHN COc1cccc([O-])c1C[NH+]1CCC(OCC(N)=O)CC1 ZINC001116444865 855767993 /nfs/dbraw/zinc/76/79/93/855767993.db2.gz BUUMSXJJOBBFPG-UHFFFAOYSA-N 0 3 294.351 0.867 20 10 CCCDHN C[C@@H](NCC1C[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001593257429 994528574 /nfs/dbraw/zinc/52/85/74/994528574.db2.gz NNJGAYUPCXCBOP-MRVPVSSYSA-N 0 3 250.298 0.960 20 10 CCCDHN CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000187176907 351532254 /nfs/dbraw/zinc/53/22/54/351532254.db2.gz QHAWHUIOHOOLNS-VIFPVBQESA-N 0 3 258.343 0.592 20 10 CCCDHN CCOc1cccc(CN2CC(C(=O)NC)C2)c1O ZINC000297393912 200174848 /nfs/dbraw/zinc/17/48/48/200174848.db2.gz KRJQXZDZPDXGPC-UHFFFAOYSA-N 0 3 264.325 0.969 20 10 CCCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC(C)(CO)CO ZINC000180172616 389667329 /nfs/dbraw/zinc/66/73/29/389667329.db2.gz QNHOOUBCCSOOBJ-UHFFFAOYSA-N 0 3 257.305 0.954 20 10 CCCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC(C)(CO)CO ZINC000180172616 389667332 /nfs/dbraw/zinc/66/73/32/389667332.db2.gz QNHOOUBCCSOOBJ-UHFFFAOYSA-N 0 3 257.305 0.954 20 10 CCCDHN CCN(C(=O)c1cn[n-]c1[C@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000662830181 414821844 /nfs/dbraw/zinc/82/18/44/414821844.db2.gz APOZFRWJSBTWIW-JTQLQIEISA-N 0 3 288.355 0.887 20 10 CCCDHN COc1cc([O-])c(C[NH2+]C[C@@]2(O)CCOC2)cc1OC ZINC000271805751 328197393 /nfs/dbraw/zinc/19/73/93/328197393.db2.gz JSTDXETZDIIWTR-AWEZNQCLSA-N 0 3 283.324 0.650 20 10 CCCDHN CN(Cc1ccccc1O)C(=O)C[C@H]1CNCCO1 ZINC000091301328 327102134 /nfs/dbraw/zinc/10/21/34/327102134.db2.gz CNRGPJQFTAIMEU-LBPRGKRZSA-N 0 3 264.325 0.729 20 10 CCCDHN COc1ccc(O)c(CN[C@H]2CCCNC2=O)c1 ZINC000050394657 524756282 /nfs/dbraw/zinc/75/62/82/524756282.db2.gz KWEFMDKZACWDRW-NSHDSACASA-N 0 3 250.298 0.769 20 10 CCCDHN CCOc1ccc(C[NH2+]CCS(=O)(=O)NC)c([O-])c1 ZINC000784000113 581370367 /nfs/dbraw/zinc/37/03/67/581370367.db2.gz WITADCJWIKTAJK-UHFFFAOYSA-N 0 3 288.369 0.430 20 10 CCCDHN CN(CCO)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775639295 582032417 /nfs/dbraw/zinc/03/24/17/582032417.db2.gz SJOCEYXRSKWDCK-UHFFFAOYSA-N 0 3 263.385 0.863 20 10 CCCDHN COc1ccc(O)c(CN2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000775717884 582035143 /nfs/dbraw/zinc/03/51/43/582035143.db2.gz TVWIGKQVMHBMFZ-HIFRSBDPSA-N 0 3 278.352 0.916 20 10 CCCDHN CCNC(=O)CNCc1cc(C)cc(OC)c1O ZINC000894382700 615050126 /nfs/dbraw/zinc/05/01/26/615050126.db2.gz YYUMCEHDPIFVPT-UHFFFAOYSA-N 0 3 252.314 0.935 20 10 CCCDHN CCN(OC)C(=O)CNCc1cc(OC)c(OC)cc1O ZINC000843430326 615076174 /nfs/dbraw/zinc/07/61/74/615076174.db2.gz INRDOWOJYZPFOY-UHFFFAOYSA-N 0 3 298.339 0.909 20 10 CCCDHN CN(C)c1ccc(/C=C/CNCCNS(C)(=O)=O)cc1 ZINC000835032656 616011475 /nfs/dbraw/zinc/01/14/75/616011475.db2.gz IBIICQHWJDGIES-SNAWJCMRSA-N 0 3 297.424 0.905 20 10 CCCDHN COC(=O)[C@@H]1OCC[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000826967312 616498226 /nfs/dbraw/zinc/49/82/26/616498226.db2.gz MHEHORKCFWZNFN-TVQRCGJNSA-N 0 3 295.291 0.541 20 10 CCCDHN COC(=O)CCNC(=O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877657025 616560036 /nfs/dbraw/zinc/56/00/36/616560036.db2.gz DYUHJBHBMFEXNN-UHFFFAOYSA-N 0 3 294.351 0.860 20 10 CCCDHN COC(=O)CNC(=O)CNCc1ccc(N(C)C)cc1C ZINC000877706630 616597507 /nfs/dbraw/zinc/59/75/07/616597507.db2.gz PCGNIZNEDHGODE-UHFFFAOYSA-N 0 3 293.367 0.440 20 10 CCCDHN COC(=O)[C@]1(O)CCN(Cc2c(O)cccc2OC)C1 ZINC000895709047 616785023 /nfs/dbraw/zinc/78/50/23/616785023.db2.gz YJYKIUFJOPQVDO-AWEZNQCLSA-N 0 3 281.308 0.511 20 10 CCCDHN COC(=O)N1CC(NCc2ccc(OC)c(OC)c2O)C1 ZINC000893146475 616807557 /nfs/dbraw/zinc/80/75/57/616807557.db2.gz LSSADIFPVKMJFS-UHFFFAOYSA-N 0 3 296.323 0.950 20 10 CCCDHN COCCN(C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841781038 616958955 /nfs/dbraw/zinc/95/89/55/616958955.db2.gz MQBDJOZJVLDZBR-UHFFFAOYSA-N 0 3 294.399 0.689 20 10 CCCDHN COCCNCC(=O)N(C)Cc1ccccc1O ZINC000092496030 624994346 /nfs/dbraw/zinc/99/43/46/624994346.db2.gz HDWTZFWQVHDWCK-UHFFFAOYSA-N 0 3 252.314 0.587 20 10 CCCDHN O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000895771307 632151536 /nfs/dbraw/zinc/15/15/36/632151536.db2.gz JRZRVKUUBFVIIT-ZDUSSCGKSA-N 0 3 294.326 0.916 20 10 CCCDHN Cc1cccc(CN2CC(N3CC[C@@H](O)C3)C2)c1O ZINC000846068546 643377475 /nfs/dbraw/zinc/37/74/75/643377475.db2.gz WOLPLKIKGIIMMR-CQSZACIVSA-N 0 3 262.353 0.951 20 10 CCCDHN Cc1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)c([O-])c1 ZINC000877584688 646825478 /nfs/dbraw/zinc/82/54/78/646825478.db2.gz INNONXCMLWBBEA-LBPRGKRZSA-N 0 3 262.313 0.443 20 10 CCCDHN Cc1ccc(C[N@@H+]2CCC(CO)(CO)C2)c([O-])c1 ZINC000877632927 646830688 /nfs/dbraw/zinc/83/06/88/646830688.db2.gz RTAGSBNJXUOJQV-UHFFFAOYSA-N 0 3 251.326 0.877 20 10 CCCDHN Cc1ccc(C[N@H+]2CCC(CO)(CO)C2)c([O-])c1 ZINC000877632927 646830690 /nfs/dbraw/zinc/83/06/90/646830690.db2.gz RTAGSBNJXUOJQV-UHFFFAOYSA-N 0 3 251.326 0.877 20 10 CCCDHN C[C@@H]([NH2+]C[C@H](O)C[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000931555250 649004974 /nfs/dbraw/zinc/00/49/74/649004974.db2.gz WBFQRLWCUIINFK-JMSVASOKSA-N 0 3 281.352 0.945 20 10 CCCDHN C[C@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000931558636 649005256 /nfs/dbraw/zinc/00/52/56/649005256.db2.gz WBFQRLWCUIINFK-HUBLWGQQSA-N 0 3 281.352 0.945 20 10 CCCDHN COCCN1CCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000193014583 649521980 /nfs/dbraw/zinc/52/19/80/649521980.db2.gz BEUURTVVDMZEIT-NSHDSACASA-N 0 3 294.351 0.938 20 10 CCCDHN CN(C)C[C@H]1CN(Cc2cc(O)c(O)c(O)c2)CCO1 ZINC001233010849 806005301 /nfs/dbraw/zinc/00/53/01/806005301.db2.gz VSXIQNIHWDWSDZ-NSHDSACASA-N 0 3 282.340 0.566 20 10 CCCDHN CCN1CCN(C2CN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC001123964077 799517872 /nfs/dbraw/zinc/51/78/72/799517872.db2.gz CYBGTTKRHFUUSB-UHFFFAOYSA-N 0 3 295.408 0.916 20 10 CCCDHN CN1CCOc2cc(CN3CC[C@@H](O)[C@H](CO)C3)ccc21 ZINC001141140898 799984831 /nfs/dbraw/zinc/98/48/31/799984831.db2.gz RHVUDWWAWAUKDV-DZGCQCFKSA-N 0 3 292.379 0.690 20 10 CCCDHN C[C@@H](N)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924038 802047996 /nfs/dbraw/zinc/04/79/96/802047996.db2.gz ALDIXZWNGFVGOK-MRVPVSSYSA-N 0 3 250.298 0.720 20 10 CCCDHN CN1CCN(C2CN(Cc3ccccc3O)C2)CC1 ZINC001203560671 803034819 /nfs/dbraw/zinc/03/48/19/803034819.db2.gz GCDSQNHTHIGFRS-UHFFFAOYSA-N 0 3 261.369 0.824 20 10 CCCDHN COc1ccc(O)c(CN2CC(C(=O)N(C)C)C2)c1 ZINC001203678602 803041410 /nfs/dbraw/zinc/04/14/10/803041410.db2.gz NSACNBATLIITAV-UHFFFAOYSA-N 0 3 264.325 0.921 20 10 CCCDHN NC(=O)[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874440 803049336 /nfs/dbraw/zinc/04/93/36/803049336.db2.gz XZOJFRZCKNMCQT-SNVBAGLBSA-N 0 3 250.298 0.795 20 10 CCCDHN COc1cc(CN2CCO[C@@H](CN(C)C)C2)cc(O)c1O ZINC001204342767 803080249 /nfs/dbraw/zinc/08/02/49/803080249.db2.gz MPTNOKOJAAYRKT-LBPRGKRZSA-N 0 3 296.367 0.869 20 10 CCCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC001249201460 807547209 /nfs/dbraw/zinc/54/72/09/807547209.db2.gz TUFIBFMXYFYWSI-GFCCVEGCSA-N 0 3 279.336 0.922 20 10 CCCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC001249201460 807547217 /nfs/dbraw/zinc/54/72/17/807547217.db2.gz TUFIBFMXYFYWSI-GFCCVEGCSA-N 0 3 279.336 0.922 20 10 CCCDHN CCOC(=O)C[C@H](O)CNC[C@@H](O)c1ccc(O)c(O)c1 ZINC001253788799 808139549 /nfs/dbraw/zinc/13/95/49/808139549.db2.gz KGWVBUUWVPBKPD-GXFFZTMASA-N 0 3 299.323 0.035 20 10 CCCDHN CCOc1cccc(CN[C@H]2CCNC2=O)c1O ZINC000693938592 811245331 /nfs/dbraw/zinc/24/53/31/811245331.db2.gz MVWHJYZAONKEAO-JTQLQIEISA-N 0 3 250.298 0.769 20 10 CCCDHN CN1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(O)c1O)C2 ZINC001269608075 813444268 /nfs/dbraw/zinc/44/42/68/813444268.db2.gz SHAMQXOMFDCDRG-ZJUUUORDSA-N 0 3 262.309 0.874 20 10 CCCDHN C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c([O-])c(O)c1 ZINC001270069031 813612652 /nfs/dbraw/zinc/61/26/52/813612652.db2.gz HTBSLVGVCHEWEY-UWVGGRQHSA-N 0 3 278.308 0.722 20 10 CCCDHN C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)c([O-])c(O)c1 ZINC001270069031 813612659 /nfs/dbraw/zinc/61/26/59/813612659.db2.gz HTBSLVGVCHEWEY-UWVGGRQHSA-N 0 3 278.308 0.722 20 10 CCCDHN N[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1F ZINC001157537050 837104773 /nfs/dbraw/zinc/10/47/73/837104773.db2.gz UDHILHHLTUUZTJ-WMSLEYKJSA-N 0 3 266.272 0.619 20 10 CCCDHN CN(Cc1ccccc1O)C(=O)c1c(CN)cnn1C ZINC000719296900 849306738 /nfs/dbraw/zinc/30/67/38/849306738.db2.gz IOBNIMUNXQWIAE-UHFFFAOYSA-N 0 3 274.324 0.857 20 10 CCCDHN CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000390196524 854024144 /nfs/dbraw/zinc/02/41/44/854024144.db2.gz USWOGLUHDMQAON-SNVBAGLBSA-N 0 3 272.370 0.982 20 10 CCCDHN NC(=O)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC001325271726 913312480 /nfs/dbraw/zinc/31/24/80/913312480.db2.gz VOOLQOBNXIQAPZ-TVQRCGJNSA-N 0 3 292.335 0.515 20 10 CCCDHN NC(=O)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC001325271726 913312494 /nfs/dbraw/zinc/31/24/94/913312494.db2.gz VOOLQOBNXIQAPZ-TVQRCGJNSA-N 0 3 292.335 0.515 20 10 CCCDHN COCC[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC001330865991 916934740 /nfs/dbraw/zinc/93/47/40/916934740.db2.gz FSZGTVIQVCDNTP-LBPRGKRZSA-N 0 3 251.330 0.291 20 10 CCCDHN Cc1cccc(CNCCS(=O)(=O)N(C)C)c1O ZINC000230988747 352124346 /nfs/dbraw/zinc/12/43/46/352124346.db2.gz OZNMEOCNVGNMGU-UHFFFAOYSA-N 0 3 272.370 0.682 20 10 CCCDHN Cc1cccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1[O-] ZINC000271744210 353034683 /nfs/dbraw/zinc/03/46/83/353034683.db2.gz ANSCGPQECLVQAL-HNNXBMFYSA-N 0 3 294.395 0.826 20 10 CCCDHN Cc1cccc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1[O-] ZINC000271744210 353034685 /nfs/dbraw/zinc/03/46/85/353034685.db2.gz ANSCGPQECLVQAL-HNNXBMFYSA-N 0 3 294.395 0.826 20 10 CCCDHN COCCN(CCO)Cc1cccc(OC)c1O ZINC000093006010 389033671 /nfs/dbraw/zinc/03/36/71/389033671.db2.gz IJXHSGWRJKYFRH-UHFFFAOYSA-N 0 3 255.314 0.842 20 10 CCCDHN Cc1cccc(CN2CCC[C@@H](S(N)(=O)=O)C2)c1O ZINC000372733908 389456579 /nfs/dbraw/zinc/45/65/79/389456579.db2.gz AFTOWFMGPGDHAV-GFCCVEGCSA-N 0 3 284.381 0.954 20 10 CCCDHN NC(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000377160997 268051702 /nfs/dbraw/zinc/05/17/02/268051702.db2.gz IARBRYYFOLWTKF-SECBINFHSA-N 0 3 278.308 0.818 20 10 CCCDHN NC(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000377160997 268051704 /nfs/dbraw/zinc/05/17/04/268051704.db2.gz IARBRYYFOLWTKF-SECBINFHSA-N 0 3 278.308 0.818 20 10 CCCDHN CCOc1ccc(O)c(CN[C@H](CO)COC)c1 ZINC000279644860 521155429 /nfs/dbraw/zinc/15/54/29/521155429.db2.gz DHZNBGMFGRHSDQ-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN CCOc1cccc(CN2C[C@@H](O)[C@H](O)C2)c1O ZINC000278377374 521346612 /nfs/dbraw/zinc/34/66/12/521346612.db2.gz LGHHLGZVCPIWRA-GHMZBOCLSA-N 0 3 253.298 0.328 20 10 CCCDHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000237161364 521770332 /nfs/dbraw/zinc/77/03/32/521770332.db2.gz RLYFCQHPEODOJP-NSHDSACASA-N 0 3 290.367 0.617 20 10 CCCDHN COCC[C@@H](CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000282147167 521808445 /nfs/dbraw/zinc/80/84/45/521808445.db2.gz HLYZBWUBPRYAMM-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN CCN(C)c1ccc(CN(CCO)CCO)cc1 ZINC000773747407 581940323 /nfs/dbraw/zinc/94/03/23/581940323.db2.gz FSVGIHMGLVUDLT-UHFFFAOYSA-N 0 3 252.358 0.929 20 10 CCCDHN COc1cc(C)cc(CN2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000895461196 617175505 /nfs/dbraw/zinc/17/55/05/617175505.db2.gz ZGHUGGPHXQFMHV-NEPJUHHUSA-N 0 3 267.325 0.637 20 10 CCCDHN COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000840957359 616387262 /nfs/dbraw/zinc/38/72/62/616387262.db2.gz LIDORELOKTXBCU-CYBMUJFWSA-N 0 3 278.352 0.929 20 10 CCCDHN COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000840957359 616387266 /nfs/dbraw/zinc/38/72/66/616387266.db2.gz LIDORELOKTXBCU-CYBMUJFWSA-N 0 3 278.352 0.929 20 10 CCCDHN COC(=O)[C@@H]1C[C@H](O)CN(Cc2c(O)cccc2OC)C1 ZINC000843433616 616478647 /nfs/dbraw/zinc/47/86/47/616478647.db2.gz AWZIAPYGWWJDQJ-MNOVXSKESA-N 0 3 295.335 0.757 20 10 CCCDHN COCCN(C)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875216319 616958683 /nfs/dbraw/zinc/95/86/83/616958683.db2.gz QIGUJNTVTNIFDK-UHFFFAOYSA-N 0 3 293.367 0.996 20 10 CCCDHN O=C(NC[C@H]1CNCCO1)N1Cc2cccc(O)c2C1 ZINC000892182414 622651949 /nfs/dbraw/zinc/65/19/49/622651949.db2.gz ZKBFXVUSTJQYBD-LLVKDONJSA-N 0 3 277.324 0.406 20 10 CCCDHN COCC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000052809729 623486691 /nfs/dbraw/zinc/48/66/91/623486691.db2.gz SKKOIKKDXGUDQH-CYBMUJFWSA-N 0 3 265.357 0.733 20 10 CCCDHN C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccccc1[O-] ZINC000925797172 631252444 /nfs/dbraw/zinc/25/24/44/631252444.db2.gz PHVWLKWSNSLOQB-VXGBXAGGSA-N 0 3 298.408 0.820 20 10 CCCDHN Nc1ccc(CCNC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000238125712 631440972 /nfs/dbraw/zinc/44/09/72/631440972.db2.gz XNMUFZKMNOMSMC-AWEZNQCLSA-N 0 3 277.368 0.696 20 10 CCCDHN COCCNCC(=O)NCc1ccc(N(C)C)cc1C ZINC000237198816 631932503 /nfs/dbraw/zinc/93/25/03/631932503.db2.gz OUIHFGRZNWYRKN-UHFFFAOYSA-N 0 3 279.384 0.913 20 10 CCCDHN O=S1(=O)C[C@H]2CN(Cc3ccccc3O)C[C@H]2C1 ZINC000897618251 633216696 /nfs/dbraw/zinc/21/66/96/633216696.db2.gz BPZITAPHJDHFTN-TXEJJXNPSA-N 0 3 267.350 0.869 20 10 CCCDHN Cc1ccc(O)c(CN2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000846067720 643376341 /nfs/dbraw/zinc/37/63/41/643376341.db2.gz JMOUWXBMYFVAEQ-CQSZACIVSA-N 0 3 262.353 0.951 20 10 CCCDHN O=C1OC[C@H]2C[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@@H]12 ZINC000863338916 645082725 /nfs/dbraw/zinc/08/27/25/645082725.db2.gz XFZJHYQIUTUGQO-IRUJWGPZSA-N 0 3 291.303 0.423 20 10 CCCDHN O=C1OC[C@H]2C[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C[C@@H]12 ZINC000863338916 645082731 /nfs/dbraw/zinc/08/27/31/645082731.db2.gz XFZJHYQIUTUGQO-IRUJWGPZSA-N 0 3 291.303 0.423 20 10 CCCDHN COc1cc(C)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236807641 806613034 /nfs/dbraw/zinc/61/30/34/806613034.db2.gz HLGHGPBHANVWBH-HZMBPMFUSA-N 0 3 267.325 0.494 20 10 CCCDHN COc1cc(C)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236807641 806613037 /nfs/dbraw/zinc/61/30/37/806613037.db2.gz HLGHGPBHANVWBH-HZMBPMFUSA-N 0 3 267.325 0.494 20 10 CCCDHN COc1cc(CN2CC[C@@H](CO)[C@@H](O)C2)c(O)c(OC)c1 ZINC001237669840 806708194 /nfs/dbraw/zinc/70/81/94/806708194.db2.gz PGOFTMHYKICYMZ-GWCFXTLKSA-N 0 3 297.351 0.585 20 10 CCCDHN CN1CCOc2cc(CN3C[C@H](O)[C@@H](CO)C3)ccc21 ZINC001141139822 799982910 /nfs/dbraw/zinc/98/29/10/799982910.db2.gz CPHBFCWZWXKQPR-OCCSQVGLSA-N 0 3 278.352 0.300 20 10 CCCDHN COc1cc(C(=O)N2C[C@@H](F)[C@@H](N)C2)cc(O)c1O ZINC001157556307 801417225 /nfs/dbraw/zinc/41/72/25/801417225.db2.gz ZISVOUHZZUSWOZ-SFYZADRCSA-N 0 3 270.260 0.228 20 10 CCCDHN COc1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001203628475 803038974 /nfs/dbraw/zinc/03/89/74/803038974.db2.gz AJDPKUPYCNPHCA-GXFFZTMASA-N 0 3 276.336 0.969 20 10 CCCDHN COc1ccc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])c1 ZINC001203628475 803038979 /nfs/dbraw/zinc/03/89/79/803038979.db2.gz AJDPKUPYCNPHCA-GXFFZTMASA-N 0 3 276.336 0.969 20 10 CCCDHN COc1ccc(O)c(CN2CCOC[C@@](C)(O)C2)c1 ZINC001203669542 803040729 /nfs/dbraw/zinc/04/07/29/803040729.db2.gz FAONFNCXGPMINQ-AWEZNQCLSA-N 0 3 267.325 0.984 20 10 CCCDHN C[C@@]1(O)COCCN(Cc2ccc(O)cc2O)C1 ZINC001204275817 803074618 /nfs/dbraw/zinc/07/46/18/803074618.db2.gz BYJCVLSTBQPLHE-ZDUSSCGKSA-N 0 3 253.298 0.681 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001204276543 803077370 /nfs/dbraw/zinc/07/73/70/803077370.db2.gz MONTUNJQUBIOSA-JQWIXIFHSA-N 0 3 253.298 0.273 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001204276543 803077374 /nfs/dbraw/zinc/07/73/74/803077374.db2.gz MONTUNJQUBIOSA-JQWIXIFHSA-N 0 3 253.298 0.273 20 10 CCCDHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1O ZINC001219923410 804448653 /nfs/dbraw/zinc/44/86/53/804448653.db2.gz LQVJYUGHEXKEFN-HZMBPMFUSA-N 0 3 293.367 0.498 20 10 CCCDHN Cc1c(O)ccc(CN2CCOC[C@@](C)(O)C2)c1O ZINC001140744510 811379409 /nfs/dbraw/zinc/37/94/09/811379409.db2.gz ZVOCACZSUIAXNJ-AWEZNQCLSA-N 0 3 267.325 0.989 20 10 CCCDHN CN1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CSC1=S)C2 ZINC001268909821 813141262 /nfs/dbraw/zinc/14/12/62/813141262.db2.gz PHKDAXCPLWDKHH-BDAKNGLRSA-N 0 3 299.421 0.009 20 10 CCCDHN COC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H]1[NH3+] ZINC001236346983 817274271 /nfs/dbraw/zinc/27/42/71/817274271.db2.gz KDESESMTJNGKER-MNOVXSKESA-N 0 3 284.743 0.978 20 10 CCCDHN COc1cc(CN2C[C@@H]3CCNC(=O)[C@@H]3C2)cc(O)c1O ZINC001204346309 843851314 /nfs/dbraw/zinc/85/13/14/843851314.db2.gz MVOSJGQBLFLWDH-WDEREUQCSA-N 0 3 292.335 0.674 20 10 CCCDHN COc1ccc(O)c(CN2C[C@@H]3COC[C@H](C2)N3C)c1 ZINC001275278512 848683193 /nfs/dbraw/zinc/68/31/93/848683193.db2.gz LFHSKAOBOUIIFB-BETUJISGSA-N 0 3 278.352 0.916 20 10 CCCDHN CN(CCC[NH2+]Cc1ccccc1[O-])S(C)(=O)=O ZINC000692502329 855593135 /nfs/dbraw/zinc/59/31/35/855593135.db2.gz UTZXQPZZOVAMDA-UHFFFAOYSA-N 0 3 272.370 0.763 20 10 CCCDHN COCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC001119299453 856621811 /nfs/dbraw/zinc/62/18/11/856621811.db2.gz NWOLKJXFIKEXIE-MWLCHTKSSA-N 0 3 252.314 0.933 20 10 CCCDHN CC(C)(CNS(C)(=O)=O)NCc1ccc(N)cc1 ZINC001334775316 919756547 /nfs/dbraw/zinc/75/65/47/919756547.db2.gz VRIVCTMFRZSLBM-UHFFFAOYSA-N 0 3 271.386 0.686 20 10 CCCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)NCCF ZINC000282650629 353442277 /nfs/dbraw/zinc/44/22/77/353442277.db2.gz LDLDYYWKAPLNNT-MRVPVSSYSA-N 0 3 284.287 0.685 20 10 CCCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1OC ZINC000160154154 261206678 /nfs/dbraw/zinc/20/66/78/261206678.db2.gz QEZBNKNZDJHLDY-SECBINFHSA-N 0 3 280.324 0.717 20 10 CCCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1OC ZINC000160154154 261206680 /nfs/dbraw/zinc/20/66/80/261206680.db2.gz QEZBNKNZDJHLDY-SECBINFHSA-N 0 3 280.324 0.717 20 10 CCCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1OC ZINC000160154025 261206905 /nfs/dbraw/zinc/20/69/05/261206905.db2.gz QEZBNKNZDJHLDY-VIFPVBQESA-N 0 3 280.324 0.717 20 10 CCCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](C(N)=O)C2)cc1OC ZINC000160154025 261206906 /nfs/dbraw/zinc/20/69/06/261206906.db2.gz QEZBNKNZDJHLDY-VIFPVBQESA-N 0 3 280.324 0.717 20 10 CCCDHN COC[C@@H](CCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000219136618 333142536 /nfs/dbraw/zinc/14/25/36/333142536.db2.gz QYZKBXPUCCVBDG-SNVBAGLBSA-N 0 3 269.297 0.608 20 10 CCCDHN CC(C(=O)NCCc1ccc(O)c(O)c1)S(C)(=O)=O ZINC000768898987 581661735 /nfs/dbraw/zinc/66/17/35/581661735.db2.gz DARQVJFNRLHPNS-QMMMGPOBSA-N 0 3 287.337 0.190 20 10 CCCDHN C[C@H]([NH2+]CCc1nnnn1C)c1cc(F)ccc1[O-] ZINC000756677423 581674327 /nfs/dbraw/zinc/67/43/27/581674327.db2.gz QHSUGYADRGIKLS-QMMMGPOBSA-N 0 3 265.292 0.948 20 10 CCCDHN COc1cc(C)cc(CN2C[C@H](O)C[C@H](O)C2)c1O ZINC000894083191 617175744 /nfs/dbraw/zinc/17/57/44/617175744.db2.gz CBCLCUAXKUKMKD-TXEJJXNPSA-N 0 3 267.325 0.637 20 10 CCCDHN COc1cc(O)c(CN2C[C@@H]3C[C@]3(O)C2)cc1OC ZINC000895653851 617207659 /nfs/dbraw/zinc/20/76/59/617207659.db2.gz OFCVSDRLHGERBR-HZMBPMFUSA-N 0 3 265.309 0.976 20 10 CCCDHN COc1cc(O)c(CN[C@@H](C)C(=O)N(C)OC)cc1OC ZINC000862539143 617207751 /nfs/dbraw/zinc/20/77/51/617207751.db2.gz JWACYNMJBJMFRW-VIFPVBQESA-N 0 3 298.339 0.907 20 10 CCCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](CN)OC)C2)cc1 ZINC000884398156 617268274 /nfs/dbraw/zinc/26/82/74/617268274.db2.gz XDGZKVKNOXLZRF-FZMZJTMJSA-N 0 3 293.367 0.364 20 10 CCCDHN COc1ccc(O)c(CN2CC(C)(C(N)=O)C2)c1 ZINC000843416757 617272232 /nfs/dbraw/zinc/27/22/32/617272232.db2.gz WCYSGWIFULLEKG-UHFFFAOYSA-N 0 3 250.298 0.708 20 10 CCCDHN COc1cccc(CN(C)[C@]2(CO)CCOC2)c1O ZINC000862426512 617296646 /nfs/dbraw/zinc/29/66/46/617296646.db2.gz HXWAPQQQBUAMDI-AWEZNQCLSA-N 0 3 267.325 0.984 20 10 CCCDHN CN(C)c1ccc(CNCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000863649450 616015836 /nfs/dbraw/zinc/01/58/36/616015836.db2.gz ZMQXUZRGCVPWHM-UHFFFAOYSA-N 0 3 287.367 0.997 20 10 CCCDHN CNC(=O)C1([NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000895885357 616550589 /nfs/dbraw/zinc/55/05/89/616550589.db2.gz VTLGQYUNMJNNNB-UHFFFAOYSA-N 0 3 264.325 0.777 20 10 CCCDHN COCC[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000884204905 616677643 /nfs/dbraw/zinc/67/76/43/616677643.db2.gz HPMCGPNAQAUWRE-LBPRGKRZSA-N 0 3 283.347 0.872 20 10 CCCDHN O=C(NC[C@@H]1CNCCO1)N1Cc2cccc(O)c2C1 ZINC000892182415 622652423 /nfs/dbraw/zinc/65/24/23/622652423.db2.gz ZKBFXVUSTJQYBD-NSHDSACASA-N 0 3 277.324 0.406 20 10 CCCDHN C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(F)ccc1[O-] ZINC000903277853 634549044 /nfs/dbraw/zinc/54/90/44/634549044.db2.gz CVWHFTFDWXTJER-IAQYHMDHSA-N 0 3 298.358 0.875 20 10 CCCDHN NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000897063385 632386968 /nfs/dbraw/zinc/38/69/68/632386968.db2.gz USPBBFMDVFBFRP-VIFPVBQESA-N 0 3 288.344 0.642 20 10 CCCDHN NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000897063385 632386971 /nfs/dbraw/zinc/38/69/71/632386971.db2.gz USPBBFMDVFBFRP-VIFPVBQESA-N 0 3 288.344 0.642 20 10 CCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CN1CCOCC1 ZINC000305175222 632524229 /nfs/dbraw/zinc/52/42/29/632524229.db2.gz AOUMUCLVBYDSTH-CQSZACIVSA-N 0 3 280.368 0.517 20 10 CCCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CN1CCOCC1 ZINC000305175222 632524230 /nfs/dbraw/zinc/52/42/30/632524230.db2.gz AOUMUCLVBYDSTH-CQSZACIVSA-N 0 3 280.368 0.517 20 10 CCCDHN C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000927021238 633577063 /nfs/dbraw/zinc/57/70/63/633577063.db2.gz BJZYIDWYUFNSMA-SCZZXKLOSA-N 0 3 291.344 0.587 20 10 CCCDHN Cc1cccc(O)c1CN1CCN(CCO)CC1 ZINC000876509140 646615196 /nfs/dbraw/zinc/61/51/96/646615196.db2.gz AVCDDPVDVXMGIU-UHFFFAOYSA-N 0 3 250.342 0.811 20 10 CCCDHN COc1cc(CN2CCC(NC(N)=O)CC2)c(O)cc1O ZINC001231634110 805823305 /nfs/dbraw/zinc/82/33/05/805823305.db2.gz IHULJHMYYUCBGE-UHFFFAOYSA-N 0 3 295.339 0.739 20 10 CCCDHN Oc1cc(CN2CCN3CC[C@H]3C2)cc(O)c1O ZINC001233016152 806009092 /nfs/dbraw/zinc/00/90/92/806009092.db2.gz OECRQCGNQSABDM-JTQLQIEISA-N 0 3 250.298 0.693 20 10 CCCDHN C[C@@H]1CN(Cc2cc(O)c(O)cc2O)CCN1C ZINC001233485708 806058755 /nfs/dbraw/zinc/05/87/55/806058755.db2.gz HWVFIDBBXRWDDH-SECBINFHSA-N 0 3 252.314 0.939 20 10 CCCDHN CCOc1ccc(C[N@H+](C)C[C@H](O)CO)c([O-])c1 ZINC001237040212 806633146 /nfs/dbraw/zinc/63/31/46/806633146.db2.gz GAWVLFLISCWLEE-NSHDSACASA-N 0 3 255.314 0.576 20 10 CCCDHN CCOc1ccc(C[N@@H+](C)C[C@H](O)CO)c([O-])c1 ZINC001237040212 806633148 /nfs/dbraw/zinc/63/31/48/806633148.db2.gz GAWVLFLISCWLEE-NSHDSACASA-N 0 3 255.314 0.576 20 10 CCCDHN COc1cc(CN2CC[C@@H](O)[C@@H](CO)C2)c(O)c(OC)c1 ZINC001237669815 806708129 /nfs/dbraw/zinc/70/81/29/806708129.db2.gz OMOADFDEALUTME-DGCLKSJQSA-N 0 3 297.351 0.585 20 10 CCCDHN CN1CCN(c2ccc(CN3C[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC001139407917 799808943 /nfs/dbraw/zinc/80/89/43/799808943.db2.gz GFDLJNHMKWZUMP-JKSUJKDBSA-N 0 3 293.386 0.953 20 10 CCCDHN CN(C)C[C@@H]1CN(Cc2cc(O)ccc2O)CCO1 ZINC001141156902 799984519 /nfs/dbraw/zinc/98/45/19/799984519.db2.gz XDHWHHKHFJXRFD-CYBMUJFWSA-N 0 3 266.341 0.860 20 10 CCCDHN O=C1COCC2(CCN(Cc3cc(O)ccc3O)CC2)N1 ZINC001141157893 799984552 /nfs/dbraw/zinc/98/45/52/799984552.db2.gz PKHUBUCHWVGLSG-UHFFFAOYSA-N 0 3 292.335 0.579 20 10 CCCDHN NC(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141155801 799984597 /nfs/dbraw/zinc/98/45/97/799984597.db2.gz KDEJNTCNKJASDX-UHFFFAOYSA-N 0 3 265.313 0.731 20 10 CCCDHN COC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2)CN1 ZINC001246346548 807228873 /nfs/dbraw/zinc/22/88/73/807228873.db2.gz NNGNQXOMNUPBBY-STQMWFEESA-N 0 3 278.352 0.997 20 10 CCCDHN CNCc1cc(NCCc2cc(O)c(O)cc2O)ncn1 ZINC001168005791 814049577 /nfs/dbraw/zinc/04/95/77/814049577.db2.gz GFBFCGSFLAFAGG-UHFFFAOYSA-N 0 3 290.323 0.967 20 10 CCCDHN C[NH+](C)C[C@@H]1COCCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148587283 840852228 /nfs/dbraw/zinc/85/22/28/840852228.db2.gz GQVAOWDLFZAXAJ-SNVBAGLBSA-N 0 3 296.323 0.206 20 10 CCCDHN COC(=O)[C@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC001252441995 847964298 /nfs/dbraw/zinc/96/42/98/847964298.db2.gz OZSIWPWVQZQGNU-GXFFZTMASA-N 0 3 266.341 0.937 20 10 CCCDHN CC(C)OC[C@@H](O)CNCc1ccc(O)c(O)c1 ZINC001252695811 848067046 /nfs/dbraw/zinc/06/70/46/848067046.db2.gz FXTXVZCNLLJYLL-NSHDSACASA-N 0 3 255.314 0.973 20 10 CCCDHN C[C@H]1[C@H](NC(=O)c2cccc(O)c2O)CCN1C ZINC000719336387 849307690 /nfs/dbraw/zinc/30/76/90/849307690.db2.gz IDIMAKNUHYKECJ-WCBMZHEXSA-N 0 3 250.298 0.920 20 10 CCCDHN CS(=O)(=O)N1CC[C@@H](NCc2ccc(N)cc2)C1 ZINC001120371759 857047777 /nfs/dbraw/zinc/04/77/77/857047777.db2.gz PVOGTRRRKUUPTE-GFCCVEGCSA-N 0 3 269.370 0.392 20 10 CCCDHN Nc1ccc(CN2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC001335285581 920091679 /nfs/dbraw/zinc/09/16/79/920091679.db2.gz QCDNGSZWZPUKTR-GFCCVEGCSA-N 0 3 283.397 0.769 20 10 CCCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001354865132 926177057 /nfs/dbraw/zinc/17/70/57/926177057.db2.gz OFBVBHCGAQHRSV-YVZVNANGSA-N 0 3 250.273 0.755 20 10 CCCDHN CC(C)[C@@H](CO)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000298884322 353975325 /nfs/dbraw/zinc/97/53/25/353975325.db2.gz KNUFFSJHKZQWOJ-OAHLLOKOSA-N 0 3 293.411 0.975 20 10 CCCDHN Nc1ccc(CC(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000368654143 357337176 /nfs/dbraw/zinc/33/71/76/357337176.db2.gz XZTYIVOZTRQCAQ-JQWIXIFHSA-N 0 3 251.305 0.628 20 10 CCCDHN CCNS(=O)(=O)[C@H]1CCN(Cc2ccccc2O)C1 ZINC000181556094 389687842 /nfs/dbraw/zinc/68/78/42/389687842.db2.gz ITXKRRQHMAIZKJ-LBPRGKRZSA-N 0 3 284.381 0.906 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2COCCO2)c1 ZINC000038060641 174071803 /nfs/dbraw/zinc/07/18/03/174071803.db2.gz TYXVMLMWBJPIHO-LBPRGKRZSA-N 0 3 253.298 0.906 20 10 CCCDHN CC(C)C(=O)NCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879435 519501268 /nfs/dbraw/zinc/50/12/68/519501268.db2.gz ZEEWIJAJLKRYHG-UHFFFAOYSA-N 0 3 280.324 0.983 20 10 CCCDHN COC[C@H](CO)NCc1cc(OC)c(OC)cc1O ZINC000279789854 522684749 /nfs/dbraw/zinc/68/47/49/522684749.db2.gz MFDUOGGYNDBBQC-JTQLQIEISA-N 0 3 271.313 0.506 20 10 CCCDHN COc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1 ZINC000290190787 524756670 /nfs/dbraw/zinc/75/66/70/524756670.db2.gz OOLKYPBWKMNBCD-JOYOIKCWSA-N 0 3 285.365 0.924 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+][C@]1(CCO)CCOC1)OCO2 ZINC000278521349 527566725 /nfs/dbraw/zinc/56/67/25/527566725.db2.gz SDWIWKYDXFTIHC-CQSZACIVSA-N 0 3 281.308 0.752 20 10 CCCDHN O=S1(=O)CC(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000786823634 581450219 /nfs/dbraw/zinc/45/02/19/581450219.db2.gz APZXUVILMOKXNZ-UHFFFAOYSA-N 0 3 299.348 0.645 20 10 CCCDHN C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000752662298 581511649 /nfs/dbraw/zinc/51/16/49/581511649.db2.gz SYSRQFNZCJNUPT-LLVKDONJSA-N 0 3 258.343 0.496 20 10 CCCDHN CN(C)c1ccc(CNC(=O)CN[C@H](CO)C2CC2)cc1 ZINC000771815869 581824446 /nfs/dbraw/zinc/82/44/46/581824446.db2.gz DNJZRESWVZOJQB-OAHLLOKOSA-N 0 3 291.395 0.729 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(N)=O)c1 ZINC000775369471 582021179 /nfs/dbraw/zinc/02/11/79/582021179.db2.gz DJMAVMUHTKVWBS-SSDOTTSWSA-N 0 3 267.285 0.246 20 10 CCCDHN COc1cc(O)c(CN[C@H]2CCNC2=O)cc1OC ZINC000826768484 617207794 /nfs/dbraw/zinc/20/77/94/617207794.db2.gz ALDFIPMVBAGBCZ-VIFPVBQESA-N 0 3 266.297 0.388 20 10 CCCDHN COc1ccc(CN2C[C@H]3C[C@@]3(O)C2)c(O)c1OC ZINC000896021052 617252427 /nfs/dbraw/zinc/25/24/27/617252427.db2.gz FLRPAPIZVWNLNY-QMTHXVAHSA-N 0 3 265.309 0.976 20 10 CCCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)N)C2)cc1 ZINC000831752792 617267994 /nfs/dbraw/zinc/26/79/94/617267994.db2.gz DSRAUMVJMWFLTG-VXGBXAGGSA-N 0 3 277.368 0.985 20 10 CCCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)CN(C)C)c1 ZINC000876879718 617273857 /nfs/dbraw/zinc/27/38/57/617273857.db2.gz VMBCZJHHHPKKSV-CABZTGNLSA-N 0 3 281.356 0.467 20 10 CCCDHN COc1ccc(O)c(CN(C)[C@@]2(CO)CCOC2)c1 ZINC000862427143 617272394 /nfs/dbraw/zinc/27/23/94/617272394.db2.gz UPWUGYXNZJMYJD-CQSZACIVSA-N 0 3 267.325 0.984 20 10 CCCDHN COc1ccc(O)c(CN2C[C@@H](O)[C@H](OC)C2)c1 ZINC000825017669 617272984 /nfs/dbraw/zinc/27/29/84/617272984.db2.gz WTUWDAXIYCTFJZ-CHWSQXEVSA-N 0 3 253.298 0.592 20 10 CCCDHN COc1cccc([C@@H](C)NCC(=O)N2CCOCC2)c1O ZINC000846158783 617307653 /nfs/dbraw/zinc/30/76/53/617307653.db2.gz KPSCIVFHMSRANL-LLVKDONJSA-N 0 3 294.351 0.910 20 10 CCCDHN CN(C)CCCS(=O)(=O)NCCc1ccc(N)cc1 ZINC000866760581 615886036 /nfs/dbraw/zinc/88/60/36/615886036.db2.gz DCNFYRDLJFXCFU-UHFFFAOYSA-N 0 3 285.413 0.682 20 10 CCCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1COCCO1 ZINC000853557841 616165074 /nfs/dbraw/zinc/16/50/74/616165074.db2.gz OXJIJIDZACRBKR-BXUZGUMPSA-N 0 3 295.335 0.665 20 10 CCCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1COCCO1 ZINC000853557841 616165076 /nfs/dbraw/zinc/16/50/76/616165076.db2.gz OXJIJIDZACRBKR-BXUZGUMPSA-N 0 3 295.335 0.665 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2c(O)cccc2OC)C1 ZINC000843433615 616422779 /nfs/dbraw/zinc/42/27/79/616422779.db2.gz AWZIAPYGWWJDQJ-GHMZBOCLSA-N 0 3 295.335 0.757 20 10 CCCDHN COC(=O)CCNC(=O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877656969 616559888 /nfs/dbraw/zinc/55/98/88/616559888.db2.gz CYZTUBNDQJMVMM-UHFFFAOYSA-N 0 3 294.351 0.860 20 10 CCCDHN COC(=O)[C@@]1(O)CCN(Cc2cccc(OC)c2O)C1 ZINC000895706148 616562048 /nfs/dbraw/zinc/56/20/48/616562048.db2.gz DDTDMUVCBVOGJJ-CQSZACIVSA-N 0 3 281.308 0.511 20 10 CCCDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(OC)ccc2O)C1 ZINC000843434721 616724269 /nfs/dbraw/zinc/72/42/69/616724269.db2.gz MUEPYKNPTJPSFD-RYUDHWBXSA-N 0 3 295.335 0.757 20 10 CCCDHN COC(=O)[C@]1(O)CCN(Cc2cc(F)ccc2O)C1 ZINC000895702963 616786725 /nfs/dbraw/zinc/78/67/25/616786725.db2.gz IEBBWBWZUGESJV-ZDUSSCGKSA-N 0 3 269.272 0.641 20 10 CCCDHN CNS(=O)(=O)[C@@H]1CCN(Cc2c(C)cccc2O)C1 ZINC000876813282 617033363 /nfs/dbraw/zinc/03/33/63/617033363.db2.gz AZHOJSNDKOPBJW-LLVKDONJSA-N 0 3 284.381 0.824 20 10 CCCDHN COCCNCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166462313 622837577 /nfs/dbraw/zinc/83/75/77/622837577.db2.gz VFMJGRCAZLLWMW-UHFFFAOYSA-N 0 3 283.347 0.744 20 10 CCCDHN [NH3+][C@]1(CO)CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000904400770 634742277 /nfs/dbraw/zinc/74/22/77/634742277.db2.gz ARXJIMVGSLFRBK-CYBMUJFWSA-N 0 3 254.305 0.817 20 10 CCCDHN C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccccc1[O-] ZINC000925797171 631252152 /nfs/dbraw/zinc/25/21/52/631252152.db2.gz PHVWLKWSNSLOQB-RYUDHWBXSA-N 0 3 298.408 0.820 20 10 CCCDHN [O-]c1ccccc1C[NH+]1CCC(O)(COCCO)CC1 ZINC000895827168 632158675 /nfs/dbraw/zinc/15/86/75/632158675.db2.gz LCJUYZFHMPTOGH-UHFFFAOYSA-N 0 3 281.352 0.728 20 10 CCCDHN C[NH+](C)CCOCCNC(=O)c1cccc(O)c1[O-] ZINC000229417140 637114632 /nfs/dbraw/zinc/11/46/32/637114632.db2.gz VNRISRIVAGBWSG-UHFFFAOYSA-N 0 3 268.313 0.406 20 10 CCCDHN Nc1ccc(CCNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000832658796 642510724 /nfs/dbraw/zinc/51/07/24/642510724.db2.gz CIZUNXSTDCJEQX-JTQLQIEISA-N 0 3 257.284 0.910 20 10 CCCDHN C[C@]1(CO)CCN(Cc2cc(O)c(O)cc2O)C[C@@H]1O ZINC001233482949 806059483 /nfs/dbraw/zinc/05/94/83/806059483.db2.gz IMWIXWMDCKSDPE-UONOGXRCSA-N 0 3 283.324 0.369 20 10 CCCDHN CCOc1ccc(CN2CCNC[C@H]2C(=O)OC)c(O)c1 ZINC001236059001 806541196 /nfs/dbraw/zinc/54/11/96/806541196.db2.gz ZQMHNOIOXPZOHR-ZDUSSCGKSA-N 0 3 294.351 0.738 20 10 CCCDHN CCc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236783301 806609242 /nfs/dbraw/zinc/60/92/42/806609242.db2.gz JUSNSYDNNVXZCN-OCCSQVGLSA-N 0 3 251.326 0.740 20 10 CCCDHN CCc1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236783301 806609248 /nfs/dbraw/zinc/60/92/48/806609248.db2.gz JUSNSYDNNVXZCN-OCCSQVGLSA-N 0 3 251.326 0.740 20 10 CCCDHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)O)c1ccccc1O ZINC001122192389 799165770 /nfs/dbraw/zinc/16/57/70/799165770.db2.gz SGPLMEKCNRGVEV-LDYMZIIASA-N 0 3 252.314 0.668 20 10 CCCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(OC)c1 ZINC001141028192 799973729 /nfs/dbraw/zinc/97/37/29/799973729.db2.gz FJYTXAOMDMNMCW-SECBINFHSA-N 0 3 280.324 0.717 20 10 CCCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C(N)=O)C2)c(OC)c1 ZINC001141028192 799973732 /nfs/dbraw/zinc/97/37/32/799973732.db2.gz FJYTXAOMDMNMCW-SECBINFHSA-N 0 3 280.324 0.717 20 10 CCCDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])CN1 ZINC001246315633 807219564 /nfs/dbraw/zinc/21/95/64/807219564.db2.gz JODPFOGUOXIRHD-QWRGUYRKSA-N 0 3 280.324 0.481 20 10 CCCDHN Oc1ccc([C@H](O)CNC[C@@H](O)C(F)(F)F)cc1O ZINC001250956621 807625440 /nfs/dbraw/zinc/62/54/40/807625440.db2.gz CQHZVQORUVSMCF-NXEZZACHSA-N 0 3 281.230 0.644 20 10 CCCDHN COC[C@@H](O)CN1CCCc2cc(O)c(O)cc2C1 ZINC001252818990 807968668 /nfs/dbraw/zinc/96/86/68/807968668.db2.gz RTOJPXLJPOXBFB-LBPRGKRZSA-N 0 3 267.325 0.853 20 10 CCCDHN C[C@@H](NC(=O)[C@@H]1CNCCN1C)c1ccccc1O ZINC001263176150 809471138 /nfs/dbraw/zinc/47/11/38/809471138.db2.gz XEVYMAKUXSNAOW-PWSUYJOCSA-N 0 3 263.341 0.473 20 10 CCCDHN CN(C)c1ccc([C@@H](CNC(=O)CON)N(C)C)cc1 ZINC001263260109 809499304 /nfs/dbraw/zinc/49/93/04/809499304.db2.gz QUWAKJSNYONTSM-CYBMUJFWSA-N 0 3 280.372 0.362 20 10 CCCDHN Nc1ccc(CN2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC001120268743 821525179 /nfs/dbraw/zinc/52/51/79/821525179.db2.gz IJONJDUSLZFNFI-OAHLLOKOSA-N 0 3 288.395 0.665 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001203620448 844436185 /nfs/dbraw/zinc/43/61/85/844436185.db2.gz FXSYQTRYXIMYHQ-AAEUAGOBSA-N 0 3 267.325 0.576 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001203620448 844436186 /nfs/dbraw/zinc/43/61/86/844436186.db2.gz FXSYQTRYXIMYHQ-AAEUAGOBSA-N 0 3 267.325 0.576 20 10 CCCDHN COCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC001333643295 919064473 /nfs/dbraw/zinc/06/44/73/919064473.db2.gz NWOLKJXFIKEXIE-ONGXEEELSA-N 0 3 252.314 0.933 20 10 CCCDHN Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c([O-])c1 ZINC000187548344 351545949 /nfs/dbraw/zinc/54/59/49/351545949.db2.gz UGMKRSBJVVOLSX-SNVBAGLBSA-N 0 3 277.324 0.903 20 10 CCCDHN COc1cc(O)c(CN[C@H]2CC(=O)N(C)C2)cc1OC ZINC000271911449 353034445 /nfs/dbraw/zinc/03/44/45/353034445.db2.gz XZSBWSSBIYMOHT-JTQLQIEISA-N 0 3 280.324 0.730 20 10 CCCDHN COCC[C@@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000282095748 353393008 /nfs/dbraw/zinc/39/30/08/353393008.db2.gz CVDYYZPGLZDTMF-JTQLQIEISA-N 0 3 269.297 0.608 20 10 CCCDHN COc1ccc(O)c(CN[C@H](C)C(=O)NCCF)c1 ZINC000282772447 353451268 /nfs/dbraw/zinc/45/12/68/353451268.db2.gz PRLRVMCXJRYRHP-SECBINFHSA-N 0 3 270.304 0.965 20 10 CCCDHN Cc1cc(CN2CC[C@@](O)(C(N)=O)C2)ccc1N(C)C ZINC000294768294 199174380 /nfs/dbraw/zinc/17/43/80/199174380.db2.gz YXWARIPDLYNCDE-HNNXBMFYSA-N 0 3 277.368 0.483 20 10 CCCDHN COc1cccc(CN2CC(CC(N)=O)C2)c1O ZINC000297387873 200172538 /nfs/dbraw/zinc/17/25/38/200172538.db2.gz KGIRJLGECURXRM-UHFFFAOYSA-N 0 3 250.298 0.708 20 10 CCCDHN COc1cccc(CN2CCCN(C(N)=O)CC2)c1O ZINC000092754231 389032406 /nfs/dbraw/zinc/03/24/06/389032406.db2.gz HJUFCXXLWAXYLJ-UHFFFAOYSA-N 0 3 279.340 0.987 20 10 CCCDHN C[NH+](C)C[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000269760862 389426229 /nfs/dbraw/zinc/42/62/29/389426229.db2.gz BAGMTADJGQIVLU-CYBMUJFWSA-N 0 3 283.328 0.703 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(O)CCOC2)c1 ZINC000182662664 389713382 /nfs/dbraw/zinc/71/33/82/389713382.db2.gz XCBCDVAKEUILPE-CYBMUJFWSA-N 0 3 253.298 0.642 20 10 CCCDHN COc1ccc(O)c(CN(C)CC(C)(CO)CO)c1 ZINC000180313962 389669506 /nfs/dbraw/zinc/66/95/06/389669506.db2.gz KBBQYUXKPQBYOD-UHFFFAOYSA-N 0 3 269.341 0.824 20 10 CCCDHN CN(C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180585800 389672903 /nfs/dbraw/zinc/67/29/03/389672903.db2.gz RLOBOLWAXDMITM-GQCTYLIASA-N 0 3 250.298 0.789 20 10 CCCDHN COCCN(C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181019459 389679628 /nfs/dbraw/zinc/67/96/28/389679628.db2.gz DBRPHVQSAMYVTE-GQCTYLIASA-N 0 3 294.351 0.805 20 10 CCCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCN1 ZINC000444267291 389898258 /nfs/dbraw/zinc/89/82/58/389898258.db2.gz JUZSOCHJHFAPAB-LLVKDONJSA-N 0 3 261.325 0.840 20 10 CCCDHN COc1ccc(O)c(CN(C)CC(=O)N2CCNCC2)c1 ZINC000038031121 174025060 /nfs/dbraw/zinc/02/50/60/174025060.db2.gz WRFMJWQNCDGLTB-UHFFFAOYSA-N 0 3 293.367 0.264 20 10 CCCDHN Nc1ccc(CC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091661996 260266243 /nfs/dbraw/zinc/26/62/43/260266243.db2.gz MOZQGUKSLOTBGT-HUUCEWRRSA-N 0 3 289.379 0.791 20 10 CCCDHN Nc1ccc(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091661997 260266352 /nfs/dbraw/zinc/26/63/52/260266352.db2.gz MOZQGUKSLOTBGT-CABCVRRESA-N 0 3 289.379 0.791 20 10 CCCDHN CC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccccc1[O-] ZINC000183312443 327818755 /nfs/dbraw/zinc/81/87/55/327818755.db2.gz ZRVGWXACDKAZBL-LLVKDONJSA-N 0 3 277.324 0.985 20 10 CCCDHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(N(C)C)cc1 ZINC000130622051 525445656 /nfs/dbraw/zinc/44/56/56/525445656.db2.gz FPKJWPCNLOSAIG-LLVKDONJSA-N 0 3 290.367 0.955 20 10 CCCDHN CN(C)c1ccc(CNC2(C(N)=O)CCOCC2)cc1 ZINC000789558254 581151319 /nfs/dbraw/zinc/15/13/19/581151319.db2.gz UWRIWYLWRQONEB-UHFFFAOYSA-N 0 3 277.368 0.877 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)CCN1CCOCC1 ZINC000779000473 581172693 /nfs/dbraw/zinc/17/26/93/581172693.db2.gz XTCYNAHLIKWMSL-UHFFFAOYSA-N 0 3 298.358 0.658 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)CCN1CCOCC1 ZINC000779000473 581172694 /nfs/dbraw/zinc/17/26/94/581172694.db2.gz XTCYNAHLIKWMSL-UHFFFAOYSA-N 0 3 298.358 0.658 20 10 CCCDHN COC[C@@H](CO)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000793325828 581294953 /nfs/dbraw/zinc/29/49/53/581294953.db2.gz VYVKTWRCFHVIRW-OAHLLOKOSA-N 0 3 293.411 0.535 20 10 CCCDHN COc1ccc(CNC(=S)NCCN(C)C)c(O)c1 ZINC000795030901 581395071 /nfs/dbraw/zinc/39/50/71/581395071.db2.gz FJQOPBHDMZKDJG-UHFFFAOYSA-N 0 3 283.397 0.927 20 10 CCCDHN C[C@@H]([NH2+]CCc1nnnn1C)c1cc(F)ccc1[O-] ZINC000756677422 581674133 /nfs/dbraw/zinc/67/41/33/581674133.db2.gz QHSUGYADRGIKLS-MRVPVSSYSA-N 0 3 265.292 0.948 20 10 CCCDHN O[C@@H]1C[C@H](O)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769563448 581696512 /nfs/dbraw/zinc/69/65/12/581696512.db2.gz JIHKQJIMVFDKGF-IYBDPMFKSA-N 0 3 292.379 0.451 20 10 CCCDHN O=C(NCc1ccccc1O)[C@H]1CN2CCN1CCC2 ZINC000764072413 582030065 /nfs/dbraw/zinc/03/00/65/582030065.db2.gz WQINNVSHUPTVRY-CYBMUJFWSA-N 0 3 275.352 0.398 20 10 CCCDHN COc1ccc(O)c(CN2CCN(CCO)C[C@@H]2C)c1 ZINC000825338349 617272719 /nfs/dbraw/zinc/27/27/19/617272719.db2.gz OPHBJMPXWVZFLI-LBPRGKRZSA-N 0 3 280.368 0.899 20 10 CCCDHN C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000834565610 615952163 /nfs/dbraw/zinc/95/21/63/615952163.db2.gz VORMGYDSPUTHJV-CYBMUJFWSA-N 0 3 284.381 0.982 20 10 CCCDHN CN(C)C[C@]1(O)CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000834565610 615952165 /nfs/dbraw/zinc/95/21/65/615952165.db2.gz VORMGYDSPUTHJV-CYBMUJFWSA-N 0 3 284.381 0.982 20 10 CCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000929976314 616170901 /nfs/dbraw/zinc/17/09/01/616170901.db2.gz MYVBFFIUUUJOIA-UKRRQHHQSA-N 0 3 281.352 0.726 20 10 CCCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000929976314 616170902 /nfs/dbraw/zinc/17/09/02/616170902.db2.gz MYVBFFIUUUJOIA-UKRRQHHQSA-N 0 3 281.352 0.726 20 10 CCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929976312 616171067 /nfs/dbraw/zinc/17/10/67/616171067.db2.gz MYVBFFIUUUJOIA-DZGCQCFKSA-N 0 3 281.352 0.726 20 10 CCCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929976312 616171068 /nfs/dbraw/zinc/17/10/68/616171068.db2.gz MYVBFFIUUUJOIA-DZGCQCFKSA-N 0 3 281.352 0.726 20 10 CCCDHN COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000826963057 616498140 /nfs/dbraw/zinc/49/81/40/616498140.db2.gz SQDLFAMEMQSROZ-CMPLNLGQSA-N 0 3 269.272 0.951 20 10 CCCDHN COC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000895706188 616787616 /nfs/dbraw/zinc/78/76/16/616787616.db2.gz DZGOHRPZUIBVFA-ZDUSSCGKSA-N 0 3 251.282 0.502 20 10 CCCDHN COC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000895706188 616787619 /nfs/dbraw/zinc/78/76/19/616787619.db2.gz DZGOHRPZUIBVFA-ZDUSSCGKSA-N 0 3 251.282 0.502 20 10 CCCDHN C[C@@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248326 624791408 /nfs/dbraw/zinc/79/14/08/624791408.db2.gz KSOIMYMIXRJZTL-RISCZKNCSA-N 0 3 279.384 0.852 20 10 CCCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(COCCO)CC1 ZINC000895829979 632162911 /nfs/dbraw/zinc/16/29/11/632162911.db2.gz PUFOWTNFFXICTJ-UHFFFAOYSA-N 0 3 299.342 0.867 20 10 CCCDHN CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000228796885 637075856 /nfs/dbraw/zinc/07/58/56/637075856.db2.gz FRNZPGIJHARTLK-SNVBAGLBSA-N 0 3 272.370 0.982 20 10 CCCDHN O=C(NCCO)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770509116 638842882 /nfs/dbraw/zinc/84/28/82/638842882.db2.gz IHCLFODCBROERS-UHFFFAOYSA-N 0 3 278.352 0.713 20 10 CCCDHN C[C@@H]([NH2+]CC(=O)N1CCNCC1)c1cc(F)cc(F)c1[O-] ZINC000817945711 641280973 /nfs/dbraw/zinc/28/09/73/641280973.db2.gz KDNOMPXQZKSJTE-SECBINFHSA-N 0 3 299.321 0.753 20 10 CCCDHN Cc1cc(N(C)C)ccc1CNS(=O)(=O)C1CNC1 ZINC000923611801 645889887 /nfs/dbraw/zinc/88/98/87/645889887.db2.gz KEVQJTSFCDGQTR-UHFFFAOYSA-N 0 3 283.397 0.452 20 10 CCCDHN Cc1cccc(CN2CCN(C)C[C@@H]2CO)c1O ZINC000877644904 646831790 /nfs/dbraw/zinc/83/17/90/646831790.db2.gz VGMHWLHZMVOWAR-CYBMUJFWSA-N 0 3 250.342 0.809 20 10 CCCDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](O)[C@@H](O)C1 ZINC000877750724 646838894 /nfs/dbraw/zinc/83/88/94/646838894.db2.gz XCBSVQAYFFRTHI-CABCVRRESA-N 0 3 264.369 0.989 20 10 CCCDHN COc1cc(CN2CC[C@@H](O)[C@@H](CO)C2)c(O)cc1O ZINC001231633887 805823191 /nfs/dbraw/zinc/82/31/91/805823191.db2.gz CEXRKGGCNRPPSB-GHMZBOCLSA-N 0 3 283.324 0.282 20 10 CCCDHN COc1cc(CN(C)CCN2CCOCC2)c(O)cc1O ZINC001231635072 805823286 /nfs/dbraw/zinc/82/32/86/805823286.db2.gz VEICJRUUTBQXBT-UHFFFAOYSA-N 0 3 296.367 0.870 20 10 CCCDHN Oc1cc(O)c(CN2CC[C@H](N3CCOCC3)C2)cc1O ZINC001233485269 806060971 /nfs/dbraw/zinc/06/09/71/806060971.db2.gz OXAUVADQXHHAHO-LBPRGKRZSA-N 0 3 294.351 0.710 20 10 CCCDHN [O-]c1cc(F)c(F)cc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234991088 806337089 /nfs/dbraw/zinc/33/70/89/806337089.db2.gz WBCRPUNRTZIDOR-AWEZNQCLSA-N 0 3 283.322 0.808 20 10 CCCDHN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001237934731 806736464 /nfs/dbraw/zinc/73/64/64/806736464.db2.gz NJOKMOVUMGAEMZ-UFBFGSQYSA-N 0 3 275.707 0.970 20 10 CCCDHN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001237934731 806736470 /nfs/dbraw/zinc/73/64/70/806736470.db2.gz NJOKMOVUMGAEMZ-UFBFGSQYSA-N 0 3 275.707 0.970 20 10 CCCDHN C[C@]1(CO)CC[N@H+](Cc2ccc(O)cc2[O-])C[C@H]1O ZINC001204276958 803076364 /nfs/dbraw/zinc/07/63/64/803076364.db2.gz UQKZHWZCXHBOKP-ZIAGYGMSSA-N 0 3 267.325 0.663 20 10 CCCDHN C[C@]1(CO)CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@H]1O ZINC001204276958 803076371 /nfs/dbraw/zinc/07/63/71/803076371.db2.gz UQKZHWZCXHBOKP-ZIAGYGMSSA-N 0 3 267.325 0.663 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001204276544 803077189 /nfs/dbraw/zinc/07/71/89/803077189.db2.gz MONTUNJQUBIOSA-PWSUYJOCSA-N 0 3 253.298 0.273 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001204276544 803077193 /nfs/dbraw/zinc/07/71/93/803077193.db2.gz MONTUNJQUBIOSA-PWSUYJOCSA-N 0 3 253.298 0.273 20 10 CCCDHN COc1cc(CN2C[C@@H]3C(=O)N(C)C[C@@H]3C2)cc(O)c1O ZINC001204343261 803080366 /nfs/dbraw/zinc/08/03/66/803080366.db2.gz RESJVOBXQYXVJS-MNOVXSKESA-N 0 3 292.335 0.626 20 10 CCCDHN COc1cc([O-])c(CN2C[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205363557 803137308 /nfs/dbraw/zinc/13/73/08/803137308.db2.gz LNYCXHSDDRVWLO-MWLCHTKSSA-N 0 3 272.732 0.558 20 10 CCCDHN CN1C[C@@H]2COC[C@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001277014610 805100318 /nfs/dbraw/zinc/10/03/18/805100318.db2.gz UWDBQIKHKYZDEL-BETUJISGSA-N 0 3 276.336 0.977 20 10 CCCDHN COC(=O)[C@H](O)CNCc1ccc(N2CCOCC2)cc1 ZINC001252435432 807851670 /nfs/dbraw/zinc/85/16/70/807851670.db2.gz GTBWOWQPQWKZHD-CQSZACIVSA-N 0 3 294.351 0.147 20 10 CCCDHN COC(=O)[C@H](O)CNCc1ccc2c(c1)CCO2 ZINC001252441047 807855701 /nfs/dbraw/zinc/85/57/01/807855701.db2.gz XFPAISOWLUCMMP-LLVKDONJSA-N 0 3 251.282 0.245 20 10 CCCDHN CC[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)NC ZINC000697905249 815192718 /nfs/dbraw/zinc/19/27/18/815192718.db2.gz SJSOLOAWRMHENH-SECBINFHSA-N 0 3 266.297 0.735 20 10 CCCDHN C[C@@H](CC(=O)N1CCOCC1)[NH2+]Cc1cccc(O)c1[O-] ZINC001256330337 808498319 /nfs/dbraw/zinc/49/83/19/808498319.db2.gz NOBXZMTYHBTSTR-NSHDSACASA-N 0 3 294.351 0.825 20 10 CCCDHN COc1ccc(C[NH2+]C2COCCOC2)c([O-])c1 ZINC000381337061 809536891 /nfs/dbraw/zinc/53/68/91/809536891.db2.gz JNXJVMRRAAXQBJ-UHFFFAOYSA-N 0 3 253.298 0.906 20 10 CCCDHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]21 ZINC001148588123 840853243 /nfs/dbraw/zinc/85/32/43/840853243.db2.gz OXUDYFUETULUIP-GXSJLCMTSA-N 0 3 292.335 0.970 20 10 CCCDHN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]21 ZINC001148588123 840853252 /nfs/dbraw/zinc/85/32/52/840853252.db2.gz OXUDYFUETULUIP-GXSJLCMTSA-N 0 3 292.335 0.970 20 10 CCCDHN O=C1COC2(CC[NH+](Cc3ccccc3[O-])CC2)CN1 ZINC001203558458 897818023 /nfs/dbraw/zinc/81/80/23/897818023.db2.gz HVZZFHOWUCZFIV-UHFFFAOYSA-N 0 3 276.336 0.873 20 10 CCCDHN COC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1C(=O)OC ZINC001333841458 919202599 /nfs/dbraw/zinc/20/25/99/919202599.db2.gz OIFDPIDOCZKAMO-TXEJJXNPSA-N 0 3 293.319 0.786 20 10 CCCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1C(=O)OC ZINC001333841458 919202610 /nfs/dbraw/zinc/20/26/10/919202610.db2.gz OIFDPIDOCZKAMO-TXEJJXNPSA-N 0 3 293.319 0.786 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]CCCc1nnnn1C ZINC001335131374 919974663 /nfs/dbraw/zinc/97/46/63/919974663.db2.gz BVRCBEYODGQHKB-UHFFFAOYSA-N 0 3 277.328 0.647 20 10 CCCDHN CO[C@@H](C[NH3+])CC(=O)NCc1c([O-])cccc1F ZINC001342538535 922996995 /nfs/dbraw/zinc/99/69/95/922996995.db2.gz ZZNUVGNOSIBWFF-MRVPVSSYSA-N 0 3 256.277 0.511 20 10 CCCDHN [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001342614202 923028083 /nfs/dbraw/zinc/02/80/83/923028083.db2.gz SRSCHZQGDSPFTL-PELKAZGASA-N 0 3 268.288 0.511 20 10 CCCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000295000157 199292403 /nfs/dbraw/zinc/29/24/03/199292403.db2.gz IIYQNYCNXZKCGU-NSHDSACASA-N 0 3 290.360 0.949 20 10 CCCDHN Cc1ccc(O)c(CNCCS(=O)(=O)N(C)C)c1 ZINC000230988667 352124222 /nfs/dbraw/zinc/12/42/22/352124222.db2.gz AEKIELYPNBDCER-UHFFFAOYSA-N 0 3 272.370 0.682 20 10 CCCDHN COc1cccc(CN[C@@H](C)C(=O)NCCF)c1O ZINC000282756439 353449683 /nfs/dbraw/zinc/44/96/83/353449683.db2.gz SXKKJMJIFMKWBZ-VIFPVBQESA-N 0 3 270.304 0.965 20 10 CCCDHN CNC(=O)C1CN(Cc2cccc(OC)c2O)C1 ZINC000297487027 200206957 /nfs/dbraw/zinc/20/69/57/200206957.db2.gz USBPKCBMEIKZHH-UHFFFAOYSA-N 0 3 250.298 0.579 20 10 CCCDHN CN(C(=O)c1cn[n-]c1[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000424148024 330294940 /nfs/dbraw/zinc/29/49/40/330294940.db2.gz SSMTZFOYKZODJW-JTQLQIEISA-N 0 3 288.355 0.887 20 10 CCCDHN NC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000119918141 526964568 /nfs/dbraw/zinc/96/45/68/526964568.db2.gz FEJAGDDCVOQUNW-SECBINFHSA-N 0 3 278.308 0.818 20 10 CCCDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000119918141 526964574 /nfs/dbraw/zinc/96/45/74/526964574.db2.gz FEJAGDDCVOQUNW-SECBINFHSA-N 0 3 278.308 0.818 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1)OCO2 ZINC000280243149 527606569 /nfs/dbraw/zinc/60/65/69/527606569.db2.gz IGYFSNOWBVVGQV-JQWIXIFHSA-N 0 3 295.335 0.856 20 10 CCCDHN CCNC(=O)CNCc1cc(OC)c(OC)cc1O ZINC000777444732 581115781 /nfs/dbraw/zinc/11/57/81/581115781.db2.gz WEANZXIZBKYELF-UHFFFAOYSA-N 0 3 268.313 0.635 20 10 CCCDHN O=C(NCCO)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000778996253 581172678 /nfs/dbraw/zinc/17/26/78/581172678.db2.gz KYTIBCHGTSUQMR-UHFFFAOYSA-N 0 3 296.342 0.852 20 10 CCCDHN CCOc1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)c([O-])c1 ZINC000762556384 581950863 /nfs/dbraw/zinc/95/08/63/581950863.db2.gz PXWYIIGMSFCTJM-OAHLLOKOSA-N 0 3 280.368 0.947 20 10 CCCDHN NC(=O)CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000776932059 582093723 /nfs/dbraw/zinc/09/37/23/582093723.db2.gz LKRUPUSMMAIINL-UHFFFAOYSA-N 0 3 281.331 0.627 20 10 CCCDHN COc1cc(C)cc(CNCC(=O)N(C)C)c1O ZINC000894394480 617175711 /nfs/dbraw/zinc/17/57/11/617175711.db2.gz RTMDOQWTNQRAPZ-UHFFFAOYSA-N 0 3 252.314 0.887 20 10 CCCDHN COc1cc(O)c(CNCc2c[nH]nn2)cc1OC ZINC000862424349 617207806 /nfs/dbraw/zinc/20/78/06/617207806.db2.gz MRZFKCGRKPBLAG-UHFFFAOYSA-N 0 3 264.285 0.817 20 10 CCCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)N)C2)cc1 ZINC000831752791 617267925 /nfs/dbraw/zinc/26/79/25/617267925.db2.gz DSRAUMVJMWFLTG-RYUDHWBXSA-N 0 3 277.368 0.985 20 10 CCCDHN CCOc1ccc(C[NH2+]C[C@@H](O)COC)c([O-])c1 ZINC000801733232 615511052 /nfs/dbraw/zinc/51/10/52/615511052.db2.gz UGMXOJJVOWIDLE-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN CCOc1ccc(O)c(CN(CCO)CCO)c1 ZINC000862429059 615511821 /nfs/dbraw/zinc/51/18/21/615511821.db2.gz AJPLHCAVURRAMG-UHFFFAOYSA-N 0 3 255.314 0.578 20 10 CCCDHN CN(CC(=O)N1CCNCC1)Cc1cc(F)ccc1O ZINC000219687706 616044428 /nfs/dbraw/zinc/04/44/28/616044428.db2.gz ODNOUNZPLDDATM-UHFFFAOYSA-N 0 3 281.331 0.395 20 10 CCCDHN CN(CCO)CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000925001909 616102511 /nfs/dbraw/zinc/10/25/11/616102511.db2.gz ZAYQLDNZAMYVGP-HYXAFXHYSA-N 0 3 280.324 0.151 20 10 CCCDHN COCCNC(=O)C1(NCc2cc(F)ccc2O)CC1 ZINC000839193557 616484954 /nfs/dbraw/zinc/48/49/54/616484954.db2.gz RXSBMFRPQLOVOB-UHFFFAOYSA-N 0 3 282.315 0.916 20 10 CCCDHN COCCNCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666134 616508195 /nfs/dbraw/zinc/50/81/95/616508195.db2.gz AAROREBDDQODAM-JTQLQIEISA-N 0 3 282.340 0.814 20 10 CCCDHN COCCNCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000841049017 616510337 /nfs/dbraw/zinc/51/03/37/616510337.db2.gz XCAVZKHWVRIVPR-UHFFFAOYSA-N 0 3 299.327 0.635 20 10 CCCDHN COCC[NH2+]CCNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000841049017 616510339 /nfs/dbraw/zinc/51/03/39/616510339.db2.gz XCAVZKHWVRIVPR-UHFFFAOYSA-N 0 3 299.327 0.635 20 10 CCCDHN COCCOCC[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000862468889 616541497 /nfs/dbraw/zinc/54/14/97/616541497.db2.gz RJQWDJFOQYIOEO-UHFFFAOYSA-N 0 3 287.331 0.989 20 10 CCCDHN COCCOCC[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000862468889 616541498 /nfs/dbraw/zinc/54/14/98/616541498.db2.gz RJQWDJFOQYIOEO-UHFFFAOYSA-N 0 3 287.331 0.989 20 10 CCCDHN CNS(=O)(=O)CCC[NH2+]Cc1c([O-])cccc1OC ZINC000865706815 617012540 /nfs/dbraw/zinc/01/25/40/617012540.db2.gz IAFOHEHDESYGKH-UHFFFAOYSA-N 0 3 288.369 0.430 20 10 CCCDHN OC[C@]1(NCc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000184185630 625886704 /nfs/dbraw/zinc/88/67/04/625886704.db2.gz NUUFUBZCAZVWLS-MRXNPFEDSA-N 0 3 292.379 0.764 20 10 CCCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])NS(C)(=O)=O ZINC000067005796 631338592 /nfs/dbraw/zinc/33/85/92/631338592.db2.gz QEZPZRUEEUHKFI-UHFFFAOYSA-N 0 3 272.370 0.810 20 10 CCCDHN Cc1ccc(C[NH2+]CCN(C)CCOCCO)c([O-])c1 ZINC000895662096 632122022 /nfs/dbraw/zinc/12/20/22/632122022.db2.gz MKJNIHGJTGQTGG-UHFFFAOYSA-N 0 3 282.384 0.731 20 10 CCCDHN O=C([C@@H]1CN2CCN1CCC2)N1Cc2cccc(O)c2C1 ZINC000871203829 646119338 /nfs/dbraw/zinc/11/93/38/646119338.db2.gz SGXKBHJVHDPERO-AWEZNQCLSA-N 0 3 287.363 0.624 20 10 CCCDHN Cc1cccc(O)c1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000876750928 646657290 /nfs/dbraw/zinc/65/72/90/646657290.db2.gz KQVZVRNPGHNHSG-NSHDSACASA-N 0 3 284.381 0.824 20 10 CCCDHN C[C@@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccccc1[O-] ZINC000879649446 647090310 /nfs/dbraw/zinc/09/03/10/647090310.db2.gz UDTVJSAREARKPU-ZJUUUORDSA-N 0 3 277.324 0.983 20 10 CCCDHN O=C(N[C@H](CO)CN1CCCC1)c1cccc(O)c1O ZINC000879994437 647142140 /nfs/dbraw/zinc/14/21/40/647142140.db2.gz FOXSMXNUJDMVMO-JTQLQIEISA-N 0 3 280.324 0.284 20 10 CCCDHN COc1cccc(O)c1CN[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000886294639 647957449 /nfs/dbraw/zinc/95/74/49/647957449.db2.gz CFXHEOWBGVIORU-GXSJLCMTSA-N 0 3 285.365 0.924 20 10 CCCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)CO)C[C@H]1CCCO1 ZINC000929969758 648808504 /nfs/dbraw/zinc/80/85/04/648808504.db2.gz DADYPCWETODBGW-UONOGXRCSA-N 0 3 281.352 0.726 20 10 CCCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CO)C[C@H]1CCCO1 ZINC000929969758 648808505 /nfs/dbraw/zinc/80/85/05/648808505.db2.gz DADYPCWETODBGW-UONOGXRCSA-N 0 3 281.352 0.726 20 10 CCCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CCO ZINC000190240597 649438610 /nfs/dbraw/zinc/43/86/10/649438610.db2.gz KRTQCQNFQYWLKI-LLVKDONJSA-N 0 3 294.351 0.619 20 10 CCCDHN NC(=O)[C@@H]1COCCC12CN(Cc1cc(O)ccc1O)C2 ZINC001277657426 805933175 /nfs/dbraw/zinc/93/31/75/805933175.db2.gz QGYHVYPTYYAHMR-LBPRGKRZSA-N 0 3 292.335 0.422 20 10 CCCDHN COC(=O)[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483193 806060333 /nfs/dbraw/zinc/06/03/33/806060333.db2.gz QLIHBXBXXAHXDD-QMMMGPOBSA-N 0 3 267.281 0.798 20 10 CCCDHN Cc1cc(C)c(CNS(=O)(=O)CCN)c(O)c1 ZINC001238776702 806804347 /nfs/dbraw/zinc/80/43/47/806804347.db2.gz HKDQGXBWVHNCHZ-UHFFFAOYSA-N 0 3 258.343 0.387 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001204275809 803075519 /nfs/dbraw/zinc/07/55/19/803075519.db2.gz BSBXNRRJFZSKHX-ZWNOBZJWSA-N 0 3 253.298 0.273 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001204275809 803075525 /nfs/dbraw/zinc/07/55/25/803075525.db2.gz BSBXNRRJFZSKHX-ZWNOBZJWSA-N 0 3 253.298 0.273 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001204275806 803075549 /nfs/dbraw/zinc/07/55/49/803075549.db2.gz BSBXNRRJFZSKHX-GWCFXTLKSA-N 0 3 253.298 0.273 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001204275806 803075554 /nfs/dbraw/zinc/07/55/54/803075554.db2.gz BSBXNRRJFZSKHX-GWCFXTLKSA-N 0 3 253.298 0.273 20 10 CCCDHN COC(=O)[C@H]1CN(Cc2ccc(O)cc2O)CCCO1 ZINC001204277645 803076587 /nfs/dbraw/zinc/07/65/87/803076587.db2.gz HZBUUEQUFLZMEK-CYBMUJFWSA-N 0 3 281.308 0.862 20 10 CCCDHN COc1cc(CN2CC[C@@]3(CCNC3=O)C2)cc(O)c1O ZINC001204346238 803081003 /nfs/dbraw/zinc/08/10/03/803081003.db2.gz HLMLSFHBOPMRCE-HNNXBMFYSA-N 0 3 292.335 0.818 20 10 CCCDHN CCOC(=O)[C@H]1CNCCN1Cc1cc(OC)ccc1O ZINC000088657961 803484804 /nfs/dbraw/zinc/48/48/04/803484804.db2.gz PRHZGDQWUYSCJA-CYBMUJFWSA-N 0 3 294.351 0.738 20 10 CCCDHN CN(C)c1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000400221710 803765473 /nfs/dbraw/zinc/76/54/73/803765473.db2.gz XAYZMRQUNUNJCR-ZDUSSCGKSA-N 0 3 297.424 0.876 20 10 CCCDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CN1 ZINC001246239534 807195779 /nfs/dbraw/zinc/19/57/79/807195779.db2.gz JQCDSWVADNIQRJ-JQWIXIFHSA-N 0 3 280.324 0.481 20 10 CCCDHN COC(=O)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])CN1 ZINC001246237730 807195816 /nfs/dbraw/zinc/19/58/16/807195816.db2.gz BWUIHTNNEFYKAX-SCVCMEIPSA-N 0 3 264.325 0.946 20 10 CCCDHN CC(C)(C)OC(=O)[C@@H](O)CNCc1cccc(O)c1O ZINC001253711490 808125876 /nfs/dbraw/zinc/12/58/76/808125876.db2.gz MWSBCXBIHLJXCO-NSHDSACASA-N 0 3 283.324 0.890 20 10 CCCDHN Nc1ccc(CN2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC001120268741 821525066 /nfs/dbraw/zinc/52/50/66/821525066.db2.gz IJONJDUSLZFNFI-HNNXBMFYSA-N 0 3 288.395 0.665 20 10 CCCDHN COC(=O)[C@@H](O)CN(C)Cc1ccc(N(C)C)cc1 ZINC001252423003 847947192 /nfs/dbraw/zinc/94/71/92/847947192.db2.gz LMYSUUOXXIKGBM-ZDUSSCGKSA-N 0 3 266.341 0.718 20 10 CCCDHN COc1ccc(O)c(CNCCS(C)(=O)=O)c1 ZINC000037740616 348200028 /nfs/dbraw/zinc/20/00/28/348200028.db2.gz GFSJHLHQYCXIOQ-UHFFFAOYSA-N 0 3 259.327 0.535 20 10 CCCDHN COc1cccc(CNCCS(C)(=O)=O)c1O ZINC000037740517 348200045 /nfs/dbraw/zinc/20/00/45/348200045.db2.gz NVFPNCZQDXJUNJ-UHFFFAOYSA-N 0 3 259.327 0.535 20 10 CCCDHN C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccccc1[O-] ZINC000230994464 352124870 /nfs/dbraw/zinc/12/48/70/352124870.db2.gz SUAHKMPSLAHMMD-SNVBAGLBSA-N 0 3 272.370 0.934 20 10 CCCDHN O=C(C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000296836789 353960007 /nfs/dbraw/zinc/96/00/07/353960007.db2.gz MUCWXLGXCVZNFU-GFCCVEGCSA-N 0 3 276.336 0.828 20 10 CCCDHN COc1cccc(CNCCNS(C)(=O)=O)c1O ZINC000020203192 388795041 /nfs/dbraw/zinc/79/50/41/388795041.db2.gz IJTHKVUMXYYAAE-UHFFFAOYSA-N 0 3 274.342 0.040 20 10 CCCDHN Cn1cc(C[N@H+](C)Cc2ccccc2[O-])c(=O)n(C)c1=O ZINC000091974596 389025718 /nfs/dbraw/zinc/02/57/18/389025718.db2.gz IHSDGOWEWIDCPR-UHFFFAOYSA-N 0 3 289.335 0.422 20 10 CCCDHN Cn1cc(C[N@@H+](C)Cc2ccccc2[O-])c(=O)n(C)c1=O ZINC000091974596 389025722 /nfs/dbraw/zinc/02/57/22/389025722.db2.gz IHSDGOWEWIDCPR-UHFFFAOYSA-N 0 3 289.335 0.422 20 10 CCCDHN CNS(=O)(=O)[C@H]1CCN(Cc2ccccc2O)C1 ZINC000376162500 389730369 /nfs/dbraw/zinc/73/03/69/389730369.db2.gz MIXAEYZDCSWAIL-NSHDSACASA-N 0 3 270.354 0.516 20 10 CCCDHN CCN(C(=O)c1cn[n-]c1[C@@H]1CC[NH2+]C1)c1cnn(C)c1 ZINC000662830188 414823274 /nfs/dbraw/zinc/82/32/74/414823274.db2.gz APOZFRWJSBTWIW-SNVBAGLBSA-N 0 3 288.355 0.887 20 10 CCCDHN C[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000165185565 261366753 /nfs/dbraw/zinc/36/67/53/261366753.db2.gz SYOIZMHYFKDNAI-LLVKDONJSA-N 0 3 263.341 0.487 20 10 CCCDHN CNS(=O)(=O)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000187188322 262391890 /nfs/dbraw/zinc/39/18/90/262391890.db2.gz NONFSIAUXSWIRB-LLVKDONJSA-N 0 3 285.413 0.952 20 10 CCCDHN CO[C@@H](CN)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000289467260 523503060 /nfs/dbraw/zinc/50/30/60/523503060.db2.gz ALVRPDTYBBQZBE-AWEZNQCLSA-N 0 3 277.368 0.877 20 10 CCCDHN Cc1cc([O-])c(C[NH2+]CCc2nnnn2C)cc1C ZINC000771877728 581832623 /nfs/dbraw/zinc/83/26/23/581832623.db2.gz SFWLZHMBIAPKJA-UHFFFAOYSA-N 0 3 261.329 0.865 20 10 CCCDHN COc1ccc(CNC(=[NH2+])N2CCOCC2)c([O-])c1 ZINC000849025131 617252659 /nfs/dbraw/zinc/25/26/59/617252659.db2.gz ORJBEQRHHHRTQW-UHFFFAOYSA-N 0 3 265.313 0.757 20 10 CCCDHN COc1ccc(N(C)CCN(C)C(=O)CN)cc1 ZINC000846697393 617267114 /nfs/dbraw/zinc/26/71/14/617267114.db2.gz PUHCUAKVJJZOJD-UHFFFAOYSA-N 0 3 251.330 0.549 20 10 CCCDHN COc1cccc(CN[C@H](C)C(=O)N(C)OC)c1O ZINC000858325483 617300398 /nfs/dbraw/zinc/30/03/98/617300398.db2.gz ZBYYBCPTVFPCHA-SECBINFHSA-N 0 3 268.313 0.899 20 10 CCCDHN CCOc1cccc(CN2CCOC3(CNC3)C2)c1O ZINC000853249511 615516488 /nfs/dbraw/zinc/51/64/88/615516488.db2.gz QSZYSRJIYLTALC-UHFFFAOYSA-N 0 3 278.352 0.965 20 10 CCCDHN C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928710719 616202200 /nfs/dbraw/zinc/20/22/00/616202200.db2.gz WFEMSDZASWMWJQ-OAHLLOKOSA-N 0 3 296.342 0.994 20 10 CCCDHN C[N@H+]1CCC[C@@](O)(CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928710719 616202201 /nfs/dbraw/zinc/20/22/01/616202201.db2.gz WFEMSDZASWMWJQ-OAHLLOKOSA-N 0 3 296.342 0.994 20 10 CCCDHN COC(=O)CCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648021 616561934 /nfs/dbraw/zinc/56/19/34/616561934.db2.gz VZHQVLITRWHFSV-SNVBAGLBSA-N 0 3 280.324 0.722 20 10 CCCDHN O=C1NCCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000050394755 624811016 /nfs/dbraw/zinc/81/10/16/624811016.db2.gz UNENOBTZWWEILP-HNNXBMFYSA-N 0 3 289.379 0.891 20 10 CCCDHN O=C(NC[C@@H]1CCCCN1CCO)c1cccc(O)c1O ZINC000833559998 642539660 /nfs/dbraw/zinc/53/96/60/642539660.db2.gz YLJOBTMUARQYGN-NSHDSACASA-N 0 3 294.351 0.674 20 10 CCCDHN Cc1cccc(CN(C)CC(=O)N2CCNCC2)c1O ZINC000843045658 642981661 /nfs/dbraw/zinc/98/16/61/642981661.db2.gz ZWNFLLFCKYDTQG-UHFFFAOYSA-N 0 3 277.368 0.564 20 10 CCCDHN Cc1cccc(O)c1CN1CC[C@H](S(N)(=O)=O)C1 ZINC000877466108 646818802 /nfs/dbraw/zinc/81/88/02/646818802.db2.gz XSRTUMBATBHGES-JTQLQIEISA-N 0 3 270.354 0.563 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877763867 646840109 /nfs/dbraw/zinc/84/01/09/646840109.db2.gz LVTPZXFJNCYFIE-TXEJJXNPSA-N 0 3 251.326 0.733 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877763867 646840110 /nfs/dbraw/zinc/84/01/10/646840110.db2.gz LVTPZXFJNCYFIE-TXEJJXNPSA-N 0 3 251.326 0.733 20 10 CCCDHN COc1cc(CN2CCC(=O)N(C)CC2)c(O)cc1O ZINC001231636651 805824316 /nfs/dbraw/zinc/82/43/16/805824316.db2.gz ZFTWPAUAHNCRPE-UHFFFAOYSA-N 0 3 280.324 0.771 20 10 CCCDHN COc1cc(CN2CC[C@](C)(CO)[C@@H](O)C2)c(O)cc1O ZINC001231634239 805821520 /nfs/dbraw/zinc/82/15/20/805821520.db2.gz JRJWWWLLMTUJHW-LSDHHAIUSA-N 0 3 297.351 0.672 20 10 CCCDHN COc1cc(CN2CC[C@@H](CO)[C@H](O)C2)c(O)cc1O ZINC001231634318 805822624 /nfs/dbraw/zinc/82/26/24/805822624.db2.gz LEOBKWXHOPKGEH-TVQRCGJNSA-N 0 3 283.324 0.282 20 10 CCCDHN COc1cc(CN2CC[C@H](O)[C@@H](CO)C2)c(O)cc1O ZINC001231633888 805822837 /nfs/dbraw/zinc/82/28/37/805822837.db2.gz CEXRKGGCNRPPSB-MNOVXSKESA-N 0 3 283.324 0.282 20 10 CCCDHN CCOc1cccc(CN2CCNC[C@H]2C(=O)OC)c1O ZINC001236052939 806536374 /nfs/dbraw/zinc/53/63/74/806536374.db2.gz KPLKXPKVRSBCQF-LBPRGKRZSA-N 0 3 294.351 0.738 20 10 CCCDHN COc1cc(O)c(CN2C[C@H](O)[C@@H](CO)C2)cc1OC ZINC001236749550 806607490 /nfs/dbraw/zinc/60/74/90/806607490.db2.gz JVESOFJIKISQGT-PWSUYJOCSA-N 0 3 283.324 0.194 20 10 CCCDHN C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC001122172587 799160614 /nfs/dbraw/zinc/16/06/14/799160614.db2.gz DDZWCQASJLXDQB-PRHODGIISA-N 0 3 270.304 0.364 20 10 CCCDHN O=C(NCc1c([O-])cccc1F)[C@]12C[NH2+]C[C@H]1COC2 ZINC001122174290 799161097 /nfs/dbraw/zinc/16/10/97/799161097.db2.gz VCODMRYBMNVYPT-XPTSAGLGSA-N 0 3 280.299 0.384 20 10 CCCDHN CC(=O)N[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141161967 799986430 /nfs/dbraw/zinc/98/64/30/799986430.db2.gz IPXBCGWRXNZPSL-LLVKDONJSA-N 0 3 250.298 0.808 20 10 CCCDHN COC(=O)[C@@]12COC[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001203875623 803049561 /nfs/dbraw/zinc/04/95/61/803049561.db2.gz SAMPNVBPESSASP-NHYWBVRUSA-N 0 3 293.319 0.719 20 10 CCCDHN C[C@]1(O)COCCN(Cc2ccc(O)cc2O)C1 ZINC001204275816 803075155 /nfs/dbraw/zinc/07/51/55/803075155.db2.gz BYJCVLSTBQPLHE-CYBMUJFWSA-N 0 3 253.298 0.681 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001204276545 803075814 /nfs/dbraw/zinc/07/58/14/803075814.db2.gz MONTUNJQUBIOSA-ZYHUDNBSSA-N 0 3 253.298 0.273 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001204276545 803075821 /nfs/dbraw/zinc/07/58/21/803075821.db2.gz MONTUNJQUBIOSA-ZYHUDNBSSA-N 0 3 253.298 0.273 20 10 CCCDHN CCN(CCC(N)=O)Cc1cc(O)c(O)c(OC)c1 ZINC001204341454 803079672 /nfs/dbraw/zinc/07/96/72/803079672.db2.gz CSRVUHHEPJSEJT-UHFFFAOYSA-N 0 3 268.313 0.804 20 10 CCCDHN CN1CC[C@@](O)(C[NH2+]Cc2cc(F)c(F)cc2[O-])C1 ZINC001205237957 803130646 /nfs/dbraw/zinc/13/06/46/803130646.db2.gz OSBPZFSHHSGDTP-CYBMUJFWSA-N 0 3 272.295 0.827 20 10 CCCDHN N[C@@H](CC(F)F)C(=O)NCCc1cc(O)c(O)cc1O ZINC001220115629 804504502 /nfs/dbraw/zinc/50/45/02/804504502.db2.gz RBAUOVWQAKELSI-ZETCQYMHSA-N 0 3 290.266 0.445 20 10 CCCDHN COc1cc(O)c(CN2C[C@@H](F)[C@@H](N)C2)cc1OC ZINC001204836321 814851234 /nfs/dbraw/zinc/85/12/34/814851234.db2.gz DAMGKKHSOLYSTQ-ZJUUUORDSA-N 0 3 270.304 0.890 20 10 CCCDHN CC(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2)C1 ZINC001169507611 836313208 /nfs/dbraw/zinc/31/32/08/836313208.db2.gz VESMXGANDYXMCT-LLVKDONJSA-N 0 3 250.298 0.808 20 10 CCCDHN CN1CCC(O)(C(=O)N2CCc3cccc(O)c3C2)CC1 ZINC001182031971 843681960 /nfs/dbraw/zinc/68/19/60/843681960.db2.gz FVLDZNZLZNCCQR-UHFFFAOYSA-N 0 3 290.363 0.734 20 10 CCCDHN COCCN1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001293588944 906494513 /nfs/dbraw/zinc/49/45/13/906494513.db2.gz BCFKZBQADZUGJN-GFCCVEGCSA-N 0 3 294.351 0.477 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CNCCN2C)c1 ZINC001341827235 922689950 /nfs/dbraw/zinc/68/99/50/922689950.db2.gz VVFFIDXVBURRAP-ZWNOBZJWSA-N 0 3 293.367 0.482 20 10 CCCDHN C[N@H+](CCN1C(=O)CCC1=O)Cc1ccccc1[O-] ZINC000111235844 349767940 /nfs/dbraw/zinc/76/79/40/349767940.db2.gz TUZRPAMCDGFPPN-UHFFFAOYSA-N 0 3 262.309 0.973 20 10 CCCDHN C[N@@H+](CCN1C(=O)CCC1=O)Cc1ccccc1[O-] ZINC000111235844 349767944 /nfs/dbraw/zinc/76/79/44/349767944.db2.gz TUZRPAMCDGFPPN-UHFFFAOYSA-N 0 3 262.309 0.973 20 10 CCCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccccc1[O-] ZINC000295131892 199361626 /nfs/dbraw/zinc/36/16/26/199361626.db2.gz YEAQEYDFIZBPKN-NSHDSACASA-N 0 3 272.370 0.810 20 10 CCCDHN CNS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000187176916 351532211 /nfs/dbraw/zinc/53/22/11/351532211.db2.gz QHAWHUIOHOOLNS-SECBINFHSA-N 0 3 258.343 0.592 20 10 CCCDHN Cc1cc(CN2CC[C@](O)(C(N)=O)C2)ccc1N(C)C ZINC000294768297 199174755 /nfs/dbraw/zinc/17/47/55/199174755.db2.gz YXWARIPDLYNCDE-OAHLLOKOSA-N 0 3 277.368 0.483 20 10 CCCDHN Nc1ccc(CC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252548449 334382366 /nfs/dbraw/zinc/38/23/66/334382366.db2.gz MOZQGUKSLOTBGT-GJZGRUSLSA-N 0 3 289.379 0.791 20 10 CCCDHN CCOc1cccc(CNCC(=O)N(C)C)c1O ZINC000037225413 521358472 /nfs/dbraw/zinc/35/84/72/521358472.db2.gz CHVJLFKEEPFPLS-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN CO[C@H](CN)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000289468355 523931953 /nfs/dbraw/zinc/93/19/53/523931953.db2.gz AOTILDHZXRTCKA-GFCCVEGCSA-N 0 3 269.320 0.482 20 10 CCCDHN C[C@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000235716803 525236476 /nfs/dbraw/zinc/23/64/76/525236476.db2.gz GRPWRFQLHJWXIC-AWEZNQCLSA-N 0 3 278.308 0.818 20 10 CCCDHN C[C@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000235716803 525236484 /nfs/dbraw/zinc/23/64/84/525236484.db2.gz GRPWRFQLHJWXIC-AWEZNQCLSA-N 0 3 278.308 0.818 20 10 CCCDHN O=C(NCc1ccccc1O)[C@@H]1CN2CCN1CCC2 ZINC000764072416 582030310 /nfs/dbraw/zinc/03/03/10/582030310.db2.gz WQINNVSHUPTVRY-ZDUSSCGKSA-N 0 3 275.352 0.398 20 10 CCCDHN COc1cc(O)c(CN[C@@H]2COC[C@H]2OC)cc1OC ZINC000843428178 617207637 /nfs/dbraw/zinc/20/76/37/617207637.db2.gz QVAHNOUFHQGFFJ-QMTHXVAHSA-N 0 3 283.324 0.913 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CNCCO2)c1 ZINC000828667703 617274125 /nfs/dbraw/zinc/27/41/25/617274125.db2.gz TXEPCOQYGKKVKJ-ZYHUDNBSSA-N 0 3 294.351 0.957 20 10 CCCDHN COc1cccc(CN[C@@H](C)C(=O)N(C)OC)c1O ZINC000858320673 617300234 /nfs/dbraw/zinc/30/02/34/617300234.db2.gz ZBYYBCPTVFPCHA-VIFPVBQESA-N 0 3 268.313 0.899 20 10 CCCDHN COc1cccc(O)c1CN1C[C@@H](O)[C@H](OC)C1 ZINC000825016873 617305116 /nfs/dbraw/zinc/30/51/16/617305116.db2.gz IRPNCUXHTFVYJS-DGCLKSJQSA-N 0 3 253.298 0.592 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]CCCn1cc(CO)nn1 ZINC000810162605 617305209 /nfs/dbraw/zinc/30/52/09/617305209.db2.gz NFQUKBIPYYKBSQ-UHFFFAOYSA-N 0 3 292.339 0.665 20 10 CCCDHN CC(=O)c1cc(F)cc(CN(C)C[C@H](O)C[NH3+])c1[O-] ZINC000842475818 614249480 /nfs/dbraw/zinc/24/94/80/614249480.db2.gz VBFUTQCFRISXJJ-LLVKDONJSA-N 0 3 270.304 0.485 20 10 CCCDHN CC1(C(N)=O)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843416493 614498795 /nfs/dbraw/zinc/49/87/95/614498795.db2.gz UAFJAFOKSXWCGG-UHFFFAOYSA-N 0 3 289.379 0.830 20 10 CCCDHN CCN(C)C(=O)CNCc1ccc(OC)c(OC)c1O ZINC000893685539 614838923 /nfs/dbraw/zinc/83/89/23/614838923.db2.gz PDMJJTIGRYHSKE-UHFFFAOYSA-N 0 3 282.340 0.977 20 10 CCCDHN CCc1cccc(CN2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000848904964 615682949 /nfs/dbraw/zinc/68/29/49/615682949.db2.gz FGFFLQSEIGECDG-LBPRGKRZSA-N 0 3 284.381 0.817 20 10 CCCDHN CN(C)CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881852054 615865731 /nfs/dbraw/zinc/86/57/31/615865731.db2.gz VWMPVKKQZSZOSQ-UHFFFAOYSA-N 0 3 290.411 0.616 20 10 CCCDHN CN(C(=O)c1n[nH]c2c1CNCC2)c1ccc(N)cc1 ZINC000877077580 615937251 /nfs/dbraw/zinc/93/72/51/615937251.db2.gz NNRIUNDZKHSETL-UHFFFAOYSA-N 0 3 271.324 0.914 20 10 CCCDHN CN(C)C[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876741508 615942562 /nfs/dbraw/zinc/94/25/62/615942562.db2.gz VBNSWPUUBATADV-AWEZNQCLSA-N 0 3 290.411 0.574 20 10 CCCDHN COCCNCC(=O)N[C@@H](C)c1ccccc1O ZINC000870988208 616508111 /nfs/dbraw/zinc/50/81/11/616508111.db2.gz IUXABJDPKYJNCR-JTQLQIEISA-N 0 3 252.314 0.805 20 10 CCCDHN COC(=O)[C@@]1(O)CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000880566176 616560684 /nfs/dbraw/zinc/56/06/84/616560684.db2.gz WAOUUPGZYBAUFY-OAHLLOKOSA-N 0 3 278.352 0.862 20 10 CCCDHN COCC[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000884204904 616636286 /nfs/dbraw/zinc/63/62/86/616636286.db2.gz HPMCGPNAQAUWRE-GFCCVEGCSA-N 0 3 283.347 0.872 20 10 CCCDHN C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(F)ccc1[O-] ZINC000903278054 634549829 /nfs/dbraw/zinc/54/98/29/634549829.db2.gz CVWHFTFDWXTJER-NHYWBVRUSA-N 0 3 298.358 0.875 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(CO)COCCN1C ZINC000922535583 639717899 /nfs/dbraw/zinc/71/78/99/639717899.db2.gz IZAFHMKDSHSUOC-HNNXBMFYSA-N 0 3 296.367 0.184 20 10 CCCDHN Nc1ccc(CCNC(=O)C[C@H]2CNCCO2)cc1 ZINC000832659296 642509788 /nfs/dbraw/zinc/50/97/88/642509788.db2.gz YPCKEAHLLROSJH-ZDUSSCGKSA-N 0 3 263.341 0.306 20 10 CCCDHN Nc1ccc(OCc2cn(C[C@@H]3CNCCO3)nn2)cc1 ZINC000864650882 645260773 /nfs/dbraw/zinc/26/07/73/645260773.db2.gz NMGLDBXQOOOATL-AWEZNQCLSA-N 0 3 289.339 0.428 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]CCCn1cc(CO)nn1 ZINC000877539842 646821994 /nfs/dbraw/zinc/82/19/94/646821994.db2.gz PRHXIEDIFUGCFM-UHFFFAOYSA-N 0 3 276.340 0.964 20 10 CCCDHN Cc1cc(CN2CC[C@@H](O)[C@@H](O)C2)ccc1N(C)C ZINC000879609294 647080942 /nfs/dbraw/zinc/08/09/42/647080942.db2.gz PZWPBOPCGDNHPT-CABCVRRESA-N 0 3 264.369 0.989 20 10 CCCDHN C[C@@H](NC(=O)CN[C@@H](C)c1ccccc1O)C(=O)N(C)C ZINC000879651986 647089740 /nfs/dbraw/zinc/08/97/40/647089740.db2.gz SDMGTEBLEYZMGX-WDEREUQCSA-N 0 3 293.367 0.636 20 10 CCCDHN COc1cc(CN2CC[C@H](O)[C@@H](CO)C2)c(O)c(OC)c1 ZINC001237669817 806708100 /nfs/dbraw/zinc/70/81/00/806708100.db2.gz OMOADFDEALUTME-YPMHNXCESA-N 0 3 297.351 0.585 20 10 CCCDHN COc1cc(CN2CC[C@H](O)[C@H](CO)C2)c(O)c(OC)c1 ZINC001237669814 806709090 /nfs/dbraw/zinc/70/90/90/806709090.db2.gz OMOADFDEALUTME-AAEUAGOBSA-N 0 3 297.351 0.585 20 10 CCCDHN NC(=O)[C@H]1COCCC12C[NH+](Cc1cc(F)ccc1[O-])C2 ZINC001278254741 806792413 /nfs/dbraw/zinc/79/24/13/806792413.db2.gz GDEYIBZCWXFUFK-GFCCVEGCSA-N 0 3 294.326 0.855 20 10 CCCDHN CN(Cc1ccc2c(c1)OCCN2C)C[C@@H](O)CO ZINC001141141980 799984871 /nfs/dbraw/zinc/98/48/71/799984871.db2.gz BXFHQNBYHAYUOD-GFCCVEGCSA-N 0 3 266.341 0.300 20 10 CCCDHN COc1ccc(O)c(CN2CC[C@H](O)[C@](C)(CO)C2)c1 ZINC001203669482 803042170 /nfs/dbraw/zinc/04/21/70/803042170.db2.gz DKYXACLMYQAIAQ-GJZGRUSLSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1cc([O-])c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206480944 803251955 /nfs/dbraw/zinc/25/19/55/803251955.db2.gz MJVAREYVNDEMEE-JOYOIKCWSA-N 0 3 286.759 0.806 20 10 CCCDHN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H](N)CN ZINC001218582156 804019881 /nfs/dbraw/zinc/01/98/81/804019881.db2.gz UPQHFZANAMHTGY-MBFLTIPASA-N 0 3 299.338 0.891 20 10 CCCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C(=O)OC ZINC001252425457 807836737 /nfs/dbraw/zinc/83/67/37/807836737.db2.gz DBGUABRGJFONDN-LBPRGKRZSA-N 0 3 253.298 0.748 20 10 CCCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)C(=O)OC ZINC001252425457 807836743 /nfs/dbraw/zinc/83/67/43/807836743.db2.gz DBGUABRGJFONDN-LBPRGKRZSA-N 0 3 253.298 0.748 20 10 CCCDHN CN(CCC[NH2+]Cc1cc(F)ccc1[O-])S(C)(=O)=O ZINC000692437486 811190297 /nfs/dbraw/zinc/19/02/97/811190297.db2.gz XVAWVPDOLBIHLR-UHFFFAOYSA-N 0 3 290.360 0.902 20 10 CCCDHN Cc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c([O-])c1 ZINC001119243276 821067932 /nfs/dbraw/zinc/06/79/32/821067932.db2.gz OJZJWWHISAKRCE-UHFFFAOYSA-N 0 3 299.392 0.730 20 10 CCCDHN OC[C@@H]1C[C@H]2OCCN(Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001144504319 840068712 /nfs/dbraw/zinc/06/87/12/840068712.db2.gz PHGFENOYPWEBFV-TURKWSHLSA-N 0 3 295.335 0.775 20 10 CCCDHN O=C(CN1C(=O)CSC1=S)N1CCN2CCC1CC2 ZINC001144844371 840159020 /nfs/dbraw/zinc/15/90/20/840159020.db2.gz RXHBEAOQLBIXEO-UHFFFAOYSA-N 0 3 299.421 0.153 20 10 CCCDHN COc1ccc(CN2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001275275391 848682643 /nfs/dbraw/zinc/68/26/43/848682643.db2.gz JAUIEPPHUOPQHA-BETUJISGSA-N 0 3 278.352 0.916 20 10 CCCDHN COc1ccc(O)c(CN2CC[C@@H](NC(N)=O)C2)c1 ZINC000271777129 353033993 /nfs/dbraw/zinc/03/39/93/353033993.db2.gz DPKAULVTGIQDED-SNVBAGLBSA-N 0 3 265.313 0.643 20 10 CCCDHN CN(C)c1ccc(CN[C@@H]2COC[C@H]2O)cc1F ZINC000295549291 353902631 /nfs/dbraw/zinc/90/26/31/353902631.db2.gz KCXHYMPAVUHDEE-DGCLKSJQSA-N 0 3 254.305 0.741 20 10 CCCDHN COc1cccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000157172499 389329701 /nfs/dbraw/zinc/32/97/01/389329701.db2.gz CTRPEGFNLQCSSS-SNVBAGLBSA-N 0 3 250.298 0.708 20 10 CCCDHN COc1cccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000157172499 389329703 /nfs/dbraw/zinc/32/97/03/389329703.db2.gz CTRPEGFNLQCSSS-SNVBAGLBSA-N 0 3 250.298 0.708 20 10 CCCDHN C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000168189331 389449431 /nfs/dbraw/zinc/44/94/31/389449431.db2.gz HTPAEJQIPISOEO-ASCAZGACSA-N 0 3 271.338 0.978 20 10 CCCDHN Cc1ccc(O)c(CN2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000372747359 389456111 /nfs/dbraw/zinc/45/61/11/389456111.db2.gz XZQMRCFWTVCFGN-GFCCVEGCSA-N 0 3 284.381 0.954 20 10 CCCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCOCC2)c1 ZINC000182442795 389708764 /nfs/dbraw/zinc/70/87/64/389708764.db2.gz TYFCOUVZPKUOBE-NSHDSACASA-N 0 3 294.351 0.910 20 10 CCCDHN COc1ccc(O)c(CN2CC(CC(N)=O)C2)c1 ZINC000297332825 263203406 /nfs/dbraw/zinc/20/34/06/263203406.db2.gz FBDRAFDYYJJUQU-UHFFFAOYSA-N 0 3 250.298 0.708 20 10 CCCDHN COc1cccc(CN[C@H](C)CS(C)(=O)=O)c1O ZINC000078639194 278012821 /nfs/dbraw/zinc/01/28/21/278012821.db2.gz YGEZXYLAVLPKQM-SECBINFHSA-N 0 3 273.354 0.924 20 10 CCCDHN CCOc1cccc(CN2C[C@H](O)[C@@H](O)C2)c1O ZINC000278377375 521343625 /nfs/dbraw/zinc/34/36/25/521343625.db2.gz LGHHLGZVCPIWRA-QWRGUYRKSA-N 0 3 253.298 0.328 20 10 CCCDHN CCS(=O)(=O)CCNCc1cccc(OC)c1O ZINC000069172821 521642656 /nfs/dbraw/zinc/64/26/56/521642656.db2.gz ZWCNLJYIMIBYFA-UHFFFAOYSA-N 0 3 273.354 0.925 20 10 CCCDHN CNCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000082276307 521961627 /nfs/dbraw/zinc/96/16/27/521961627.db2.gz WXMPAFCWAVVHRS-UHFFFAOYSA-N 0 3 263.341 0.359 20 10 CCCDHN CO[C@H](CN)C(=O)NCc1ccc(N(C)C)cc1 ZINC000227374202 523931657 /nfs/dbraw/zinc/93/16/57/523931657.db2.gz ZVWXGNPDGFGODW-GFCCVEGCSA-N 0 3 251.330 0.343 20 10 CCCDHN COc1ccc(O)c(CN(C)[C@@H]2COC[C@H]2O)c1 ZINC000289578013 524734218 /nfs/dbraw/zinc/73/42/18/524734218.db2.gz JVULNGVPTSYCQQ-DGCLKSJQSA-N 0 3 253.298 0.592 20 10 CCCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000768137661 581645858 /nfs/dbraw/zinc/64/58/58/581645858.db2.gz LNQCUNXRZDTVNX-VIFPVBQESA-N 0 3 250.298 0.708 20 10 CCCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000768137661 581645860 /nfs/dbraw/zinc/64/58/60/581645860.db2.gz LNQCUNXRZDTVNX-VIFPVBQESA-N 0 3 250.298 0.708 20 10 CCCDHN COc1cccc(C[NH2+]CCc2nnnn2C)c1[O-] ZINC000771873419 581832043 /nfs/dbraw/zinc/83/20/43/581832043.db2.gz MKQWLLKINCWSLK-UHFFFAOYSA-N 0 3 263.301 0.257 20 10 CCCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC(N)=O)c1 ZINC000775370757 582021216 /nfs/dbraw/zinc/02/12/16/582021216.db2.gz QHDQKNGNDLFSJL-YUMQZZPRSA-N 0 3 281.312 0.635 20 10 CCCDHN COCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439348 582106579 /nfs/dbraw/zinc/10/65/79/582106579.db2.gz FYVRVTRCAJAVGP-LBPRGKRZSA-N 0 3 253.298 0.896 20 10 CCCDHN COCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439348 582106580 /nfs/dbraw/zinc/10/65/80/582106580.db2.gz FYVRVTRCAJAVGP-LBPRGKRZSA-N 0 3 253.298 0.896 20 10 CCCDHN CC(=O)NCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000842635746 613735830 /nfs/dbraw/zinc/73/58/30/613735830.db2.gz QQOXIMKEIZEWGK-CYBMUJFWSA-N 0 3 280.324 0.386 20 10 CCCDHN CC(=O)NCCN(C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000842635746 613735827 /nfs/dbraw/zinc/73/58/27/613735827.db2.gz QQOXIMKEIZEWGK-CYBMUJFWSA-N 0 3 280.324 0.386 20 10 CCCDHN CC(=O)NCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000842635746 613735833 /nfs/dbraw/zinc/73/58/33/613735833.db2.gz QQOXIMKEIZEWGK-CYBMUJFWSA-N 0 3 280.324 0.386 20 10 CCCDHN CC(=O)c1cc(F)cc(CN2CCO[C@H](C[NH3+])C2)c1[O-] ZINC000843367988 614249201 /nfs/dbraw/zinc/24/92/01/614249201.db2.gz MSPOKZWPALAKGK-GFCCVEGCSA-N 0 3 282.315 0.893 20 10 CCCDHN CN(C)c1ccc(CN2CCN(C)[C@@H](CO)C2)cc1 ZINC000931400671 616013736 /nfs/dbraw/zinc/01/37/36/616013736.db2.gz AWQNONXORNGBSH-OAHLLOKOSA-N 0 3 263.385 0.861 20 10 CCCDHN CN(CC[NH2+]Cc1cc(F)ccc1[O-])CCOCCO ZINC000895666205 616096315 /nfs/dbraw/zinc/09/63/15/616096315.db2.gz WQHRAMTZGMICAH-UHFFFAOYSA-N 0 3 286.347 0.562 20 10 CCCDHN CN(CCO)CCN(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000912607098 616099554 /nfs/dbraw/zinc/09/95/54/616099554.db2.gz BHBSZQSCZJPENO-XQRVVYSFSA-N 0 3 294.351 0.494 20 10 CCCDHN CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2C1=O ZINC000877720037 616158810 /nfs/dbraw/zinc/15/88/10/616158810.db2.gz IWAWYCVXMWZVDP-PHIMTYICSA-N 0 3 260.293 0.439 20 10 CCCDHN CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2C1=O ZINC000877720037 616158811 /nfs/dbraw/zinc/15/88/11/616158811.db2.gz IWAWYCVXMWZVDP-PHIMTYICSA-N 0 3 260.293 0.439 20 10 CCCDHN CO[C@@H]1COC[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000839191656 616821255 /nfs/dbraw/zinc/82/12/55/616821255.db2.gz CEWOXMAQTBKPGL-TVQRCGJNSA-N 0 3 267.281 0.624 20 10 CCCDHN CNS(=O)(=O)[C@H]1CCN(Cc2c(C)cccc2O)C1 ZINC000876813284 617035082 /nfs/dbraw/zinc/03/50/82/617035082.db2.gz AZHOJSNDKOPBJW-NSHDSACASA-N 0 3 284.381 0.824 20 10 CCCDHN O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000895772139 632151417 /nfs/dbraw/zinc/15/14/17/632151417.db2.gz CLGOLLFBCWPJLR-ZDUSSCGKSA-N 0 3 276.336 0.777 20 10 CCCDHN NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000897063384 632387460 /nfs/dbraw/zinc/38/74/60/632387460.db2.gz USPBBFMDVFBFRP-SECBINFHSA-N 0 3 288.344 0.642 20 10 CCCDHN NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000897063384 632387467 /nfs/dbraw/zinc/38/74/67/632387467.db2.gz USPBBFMDVFBFRP-SECBINFHSA-N 0 3 288.344 0.642 20 10 CCCDHN Cn1cnnc1N1CCN(Cc2cccc(F)c2O)CC1 ZINC000848925603 643689631 /nfs/dbraw/zinc/68/96/31/643689631.db2.gz YHMUFVBLSHIJAM-UHFFFAOYSA-N 0 3 291.330 0.982 20 10 CCCDHN [O-]c1ccccc1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000850358119 643798410 /nfs/dbraw/zinc/79/84/10/643798410.db2.gz HIPQBBJKUSEJQP-AWEZNQCLSA-N 0 3 267.325 0.650 20 10 CCCDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC000877592044 646826493 /nfs/dbraw/zinc/82/64/93/646826493.db2.gz KOYGEBORSJQYDO-QWHCGFSZSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC000877592044 646826495 /nfs/dbraw/zinc/82/64/95/646826495.db2.gz KOYGEBORSJQYDO-QWHCGFSZSA-N 0 3 251.326 0.876 20 10 CCCDHN C[C@@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000931555253 649005150 /nfs/dbraw/zinc/00/51/50/649005150.db2.gz WBFQRLWCUIINFK-XUJVJEKNSA-N 0 3 281.352 0.945 20 10 CCCDHN COc1cc(CN2CC[C@@](C)(CO)[C@H](O)C2)c(O)cc1O ZINC001231634234 805823256 /nfs/dbraw/zinc/82/32/56/805823256.db2.gz JRJWWWLLMTUJHW-CABCVRRESA-N 0 3 297.351 0.672 20 10 CCCDHN COc1cc(CN2CC[C@H](CO)[C@H](O)C2)c(O)c(OC)c1 ZINC001237669843 806708296 /nfs/dbraw/zinc/70/82/96/806708296.db2.gz PGOFTMHYKICYMZ-ZWNOBZJWSA-N 0 3 297.351 0.585 20 10 CCCDHN Oc1ccc(O)c(CN2CCc3nncn3CC2)c1 ZINC001141156737 799984410 /nfs/dbraw/zinc/98/44/10/799984410.db2.gz SNTGPZWCBGMAQD-UHFFFAOYSA-N 0 3 260.297 0.748 20 10 CCCDHN COC(=O)[C@@H]1CN(Cc2ccc(O)cc2O)CCCO1 ZINC001204277646 803076247 /nfs/dbraw/zinc/07/62/47/803076247.db2.gz HZBUUEQUFLZMEK-ZDUSSCGKSA-N 0 3 281.308 0.862 20 10 CCCDHN CCOC(=O)[C@@H]1CNCCN1Cc1cccc(OC)c1O ZINC000088658168 803484506 /nfs/dbraw/zinc/48/45/06/803484506.db2.gz MPLKVIQNJWIXFQ-LBPRGKRZSA-N 0 3 294.351 0.738 20 10 CCCDHN CS(=O)(=O)N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000400148372 803764590 /nfs/dbraw/zinc/76/45/90/803764590.db2.gz AIQBWJKMWBLQPE-CYBMUJFWSA-N 0 3 296.392 0.745 20 10 CCCDHN C[C@H]1CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C[NH2+]1 ZINC001219590210 804363862 /nfs/dbraw/zinc/36/38/62/804363862.db2.gz BGRQBOGSRRFOEL-CBAPKCEASA-N 0 3 266.297 0.674 20 10 CCCDHN COC(=O)Cc1ccc(CN2CC(N(C)C)C2)c(O)c1 ZINC001249172948 807545997 /nfs/dbraw/zinc/54/59/97/807545997.db2.gz OXIRTDKEKMBCBG-UHFFFAOYSA-N 0 3 278.352 0.854 20 10 CCCDHN C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccccc1[O-] ZINC001251036293 807651073 /nfs/dbraw/zinc/65/10/73/807651073.db2.gz FGXSCYCHPGGTHY-QWHCGFSZSA-N 0 3 280.368 0.736 20 10 CCCDHN CCOC(=O)C[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253808538 808149131 /nfs/dbraw/zinc/14/91/31/808149131.db2.gz DNHGIBFFHPKITD-NSHDSACASA-N 0 3 269.297 0.502 20 10 CCCDHN C[C@H](CC(=O)N1CCOCC1)NCc1ccc(O)c(O)c1 ZINC001256326385 808496365 /nfs/dbraw/zinc/49/63/65/808496365.db2.gz MLQNPQSJMNEWSB-LLVKDONJSA-N 0 3 294.351 0.825 20 10 CCCDHN COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H]1[NH3+] ZINC001236345838 817271879 /nfs/dbraw/zinc/27/18/79/817271879.db2.gz VEOONOSMONMNLV-GHMZBOCLSA-N 0 3 284.743 0.978 20 10 CCCDHN CN1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285770 821548378 /nfs/dbraw/zinc/54/83/78/821548378.db2.gz VHQQOWZBKOYILC-OAHLLOKOSA-N 0 3 294.326 0.964 20 10 CCCDHN CN1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285770 821548380 /nfs/dbraw/zinc/54/83/80/821548380.db2.gz VHQQOWZBKOYILC-OAHLLOKOSA-N 0 3 294.326 0.964 20 10 CCCDHN COc1ccc(CN2CCOC[C@@H](O)C2)c(O)c1 ZINC001203620733 844437636 /nfs/dbraw/zinc/43/76/36/844437636.db2.gz HJMUNWDPFAHFET-NSHDSACASA-N 0 3 253.298 0.594 20 10 CCCDHN COC(=O)C1CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144503844 840068948 /nfs/dbraw/zinc/06/89/48/840068948.db2.gz FQRBDAWHMIPYTR-UHFFFAOYSA-N 0 3 253.254 0.408 20 10 CCCDHN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](N2CCC2)C1 ZINC001148307588 840778120 /nfs/dbraw/zinc/77/81/20/840778120.db2.gz MITJZWNHIDVVIA-LBPRGKRZSA-N 0 3 276.336 0.947 20 10 CCCDHN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CN2CCC1CC2 ZINC001176467274 842369909 /nfs/dbraw/zinc/36/99/09/842369909.db2.gz OMPOEOJXNWORED-LBPRGKRZSA-N 0 3 276.336 0.851 20 10 CCCDHN CN1CCOC[C@]1(CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC001119977884 856945618 /nfs/dbraw/zinc/94/56/18/856945618.db2.gz UPCDQLQQDXKBRU-CQSZACIVSA-N 0 3 284.331 0.314 20 10 CCCDHN COc1ccc(CNCCN(C)C(=O)C(N)=O)cc1C ZINC001481273482 892476168 /nfs/dbraw/zinc/47/61/68/892476168.db2.gz UWDDYSYEPICXPJ-UHFFFAOYSA-N 0 3 279.340 0.037 20 10 CCCDHN C[C@]1(CO)C[N@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC001203549907 897677119 /nfs/dbraw/zinc/67/71/19/897677119.db2.gz CBFFNJGAMQWGJJ-UONOGXRCSA-N 0 3 251.326 0.957 20 10 CCCDHN C[C@]1(CO)C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC001203549907 897677126 /nfs/dbraw/zinc/67/71/26/897677126.db2.gz CBFFNJGAMQWGJJ-UONOGXRCSA-N 0 3 251.326 0.957 20 10 CCCDHN CC(C)OC[C@H](O)CNCc1ccc(O)c(O)c1 ZINC001252695810 900774497 /nfs/dbraw/zinc/77/44/97/900774497.db2.gz FXTXVZCNLLJYLL-LLVKDONJSA-N 0 3 255.314 0.973 20 10 CCCDHN Cc1ccc(C[NH2+]CCCc2nnnn2C)c([O-])c1 ZINC001333826512 919192336 /nfs/dbraw/zinc/19/23/36/919192336.db2.gz NTNFXTDNKURGAS-UHFFFAOYSA-N 0 3 261.329 0.947 20 10 CCCDHN Nc1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1 ZINC001336290539 920705310 /nfs/dbraw/zinc/70/53/10/920705310.db2.gz NWNUUDRGOHGYCI-UHFFFAOYSA-N 0 3 276.340 0.153 20 10 CCCDHN CN(C)C/C=C/C(=O)NCCc1ccc(O)c(O)c1 ZINC000271237803 353032565 /nfs/dbraw/zinc/03/25/65/353032565.db2.gz NVKLTDXFOGTBBR-ONEGZZNKSA-N 0 3 264.325 0.874 20 10 CCCDHN COc1cccc(C[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530180459 358372895 /nfs/dbraw/zinc/37/28/95/358372895.db2.gz ADSNPNQQTKJPBF-LLVKDONJSA-N 0 3 252.314 0.479 20 10 CCCDHN OC[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000187662655 329360301 /nfs/dbraw/zinc/36/03/01/329360301.db2.gz QAMMVJZHKOBJPU-HOTGVXAUSA-N 0 3 292.379 0.451 20 10 CCCDHN COC[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000227706695 333287383 /nfs/dbraw/zinc/28/73/83/333287383.db2.gz AFYQBOHMOJEHHR-SNVBAGLBSA-N 0 3 269.297 0.872 20 10 CCCDHN COc1ccc(O)c(CN[C@@H](C)CS(C)(=O)=O)c1 ZINC000081901512 524752235 /nfs/dbraw/zinc/75/22/35/524752235.db2.gz ZATHJCCIBOJBGE-VIFPVBQESA-N 0 3 273.354 0.924 20 10 CCCDHN C[C@H](NCCN1C(=O)CNC1=O)c1ccc(N(C)C)cc1 ZINC000130621778 525349068 /nfs/dbraw/zinc/34/90/68/525349068.db2.gz FPKJWPCNLOSAIG-NSHDSACASA-N 0 3 290.367 0.955 20 10 CCCDHN C[C@H](O)CN(CCO)Cc1ccc(N(C)C)cc1 ZINC000289361044 525746266 /nfs/dbraw/zinc/74/62/66/525746266.db2.gz AHKOAYCPEMPEAZ-LBPRGKRZSA-N 0 3 252.358 0.928 20 10 CCCDHN C[C@@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000235396100 525822359 /nfs/dbraw/zinc/82/23/59/525822359.db2.gz GRPWRFQLHJWXIC-CQSZACIVSA-N 0 3 278.308 0.818 20 10 CCCDHN C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000235396100 525822363 /nfs/dbraw/zinc/82/23/63/525822363.db2.gz GRPWRFQLHJWXIC-CQSZACIVSA-N 0 3 278.308 0.818 20 10 CCCDHN [O-]c1ccccc1C[N@H+](CCO)CCN1CCOCC1 ZINC000770509674 581749075 /nfs/dbraw/zinc/74/90/75/581749075.db2.gz QOXVRMNEKLOTKH-UHFFFAOYSA-N 0 3 280.368 0.519 20 10 CCCDHN [O-]c1ccccc1C[N@@H+](CCO)CCN1CCOCC1 ZINC000770509674 581749077 /nfs/dbraw/zinc/74/90/77/581749077.db2.gz QOXVRMNEKLOTKH-UHFFFAOYSA-N 0 3 280.368 0.519 20 10 CCCDHN COCC[NH+](CCOC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441470 582106605 /nfs/dbraw/zinc/10/66/05/582106605.db2.gz LUMZUWXLZOGWBT-AWEZNQCLSA-N 0 3 297.351 0.913 20 10 CCCDHN COc1ccc(CN[C@@H]2COC[C@H]2OC)c(O)c1OC ZINC000895110001 617259620 /nfs/dbraw/zinc/25/96/20/617259620.db2.gz XLYSENNVDIZHLB-ZYHUDNBSSA-N 0 3 283.324 0.913 20 10 CCCDHN COc1ccc(O)c([C@H](C)NS(=O)(=O)C2CNC2)c1 ZINC000923615152 617274335 /nfs/dbraw/zinc/27/43/35/617274335.db2.gz JTPBTLALJUCJPM-QMMMGPOBSA-N 0 3 286.353 0.353 20 10 CCCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])CS(N)(=O)=O ZINC000865813274 614111785 /nfs/dbraw/zinc/11/17/85/614111785.db2.gz MMOPVFLIRDUSMT-UHFFFAOYSA-N 0 3 272.370 0.797 20 10 CCCDHN CCN(CCO)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841960667 615053116 /nfs/dbraw/zinc/05/31/16/615053116.db2.gz UYTGIRAXCBXRIE-UHFFFAOYSA-N 0 3 294.399 0.425 20 10 CCCDHN CCOC(=O)N1C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H](CO)C1 ZINC000898359232 615238846 /nfs/dbraw/zinc/23/88/46/615238846.db2.gz NNJDPQOWZIGBFB-OLZOCXBDSA-N 0 3 294.351 0.931 20 10 CCCDHN CCOc1ccc(CN2CCOC[C@@H](O)C2)c(O)c1 ZINC000824626330 615510381 /nfs/dbraw/zinc/51/03/81/615510381.db2.gz WWKKHCLZPYVGDB-LBPRGKRZSA-N 0 3 267.325 0.984 20 10 CCCDHN CCOc1ccc(CN2CCOC[C@H](O)C2)c(O)c1 ZINC000824626329 615510415 /nfs/dbraw/zinc/51/04/15/615510415.db2.gz WWKKHCLZPYVGDB-GFCCVEGCSA-N 0 3 267.325 0.984 20 10 CCCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322357 616165009 /nfs/dbraw/zinc/16/50/09/616165009.db2.gz DRCJNEZTVLKDEW-DFAYQTQMSA-N 0 3 292.335 0.514 20 10 CCCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322357 616165011 /nfs/dbraw/zinc/16/50/11/616165011.db2.gz DRCJNEZTVLKDEW-DFAYQTQMSA-N 0 3 292.335 0.514 20 10 CCCDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(F)ccc2O)C1 ZINC000843435185 616724324 /nfs/dbraw/zinc/72/43/24/616724324.db2.gz QWQAOWQTMIGCHE-JQWIXIFHSA-N 0 3 283.299 0.887 20 10 CCCDHN CNC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000817414745 616886476 /nfs/dbraw/zinc/88/64/76/616886476.db2.gz JOBNLNZZRLHXMN-JTQLQIEISA-N 0 3 264.325 0.969 20 10 CCCDHN CNC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000817414745 616886478 /nfs/dbraw/zinc/88/64/78/616886478.db2.gz JOBNLNZZRLHXMN-JTQLQIEISA-N 0 3 264.325 0.969 20 10 CCCDHN C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccccc1[O-] ZINC000925797169 631251150 /nfs/dbraw/zinc/25/11/50/631251150.db2.gz PHVWLKWSNSLOQB-NEPJUHHUSA-N 0 3 298.408 0.820 20 10 CCCDHN O=c1ccn(CCC[NH2+]Cc2ccccc2[O-])c(=O)[nH]1 ZINC000898333285 633305404 /nfs/dbraw/zinc/30/54/04/633305404.db2.gz QXAYRSWOTPIXEZ-UHFFFAOYSA-N 0 3 275.308 0.834 20 10 CCCDHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1O ZINC000228422134 637057732 /nfs/dbraw/zinc/05/77/32/637057732.db2.gz XDECGOHEAFOYQY-ZDUSSCGKSA-N 0 3 279.340 0.108 20 10 CCCDHN C[C@H](NC(=O)CN)c1ccc(N2CCOCC2)cc1 ZINC000237623242 638233109 /nfs/dbraw/zinc/23/31/09/638233109.db2.gz OLRKBXJTVVBAAQ-NSHDSACASA-N 0 3 263.341 0.659 20 10 CCCDHN CCN1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015104022 650528616 /nfs/dbraw/zinc/52/86/16/650528616.db2.gz PJDZAUUSUFRJDS-LLVKDONJSA-N 0 3 279.340 0.923 20 10 CCCDHN CS(=O)(=O)NC1CC([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000802654943 640700608 /nfs/dbraw/zinc/70/06/08/640700608.db2.gz PTBFAYGVZJGYFD-UHFFFAOYSA-N 0 3 288.344 0.701 20 10 CCCDHN NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000862465437 645001640 /nfs/dbraw/zinc/00/16/40/645001640.db2.gz QRMVGHXQYJACIB-ZDUSSCGKSA-N 0 3 295.358 0.961 20 10 CCCDHN CN1C[C@@H]2C[C@H]1CN2Cc1cc(O)c(O)c(O)c1 ZINC001233014902 806006135 /nfs/dbraw/zinc/00/61/35/806006135.db2.gz FEQBXRBVDKPSHP-UWVGGRQHSA-N 0 3 250.298 0.692 20 10 CCCDHN COc1cc(O)c(CN2CC[C@@H](CO)[C@H](O)C2)cc1OC ZINC001236750728 806606968 /nfs/dbraw/zinc/60/69/68/806606968.db2.gz XZMHRGWQLPUUHS-GXFFZTMASA-N 0 3 297.351 0.585 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237050975 806634585 /nfs/dbraw/zinc/63/45/85/806634585.db2.gz ZFVNPHKKGKQFHU-SWLSCSKDSA-N 0 3 281.352 0.966 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237050975 806634589 /nfs/dbraw/zinc/63/45/89/806634589.db2.gz ZFVNPHKKGKQFHU-SWLSCSKDSA-N 0 3 281.352 0.966 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001140058077 799877386 /nfs/dbraw/zinc/87/73/86/799877386.db2.gz SDEAGOAGTPYJHD-GXFFZTMASA-N 0 3 255.289 0.706 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001140058077 799877395 /nfs/dbraw/zinc/87/73/95/799877395.db2.gz SDEAGOAGTPYJHD-GXFFZTMASA-N 0 3 255.289 0.706 20 10 CCCDHN COc1cc(O)c(CN2CC[C@@H](CO)[C@H](O)C2)c(OC)c1 ZINC001141031578 799973753 /nfs/dbraw/zinc/97/37/53/799973753.db2.gz IDEUAXBPVWJLIS-IINYFYTJSA-N 0 3 297.351 0.585 20 10 CCCDHN CNC(=O)N[C@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204277723 803076871 /nfs/dbraw/zinc/07/68/71/803076871.db2.gz JCDOOYVPZQRIFG-NSHDSACASA-N 0 3 279.340 0.991 20 10 CCCDHN Nc1ccc(CC(=O)NCc2ncn3c2CNCCC3)cc1 ZINC001220312749 804571930 /nfs/dbraw/zinc/57/19/30/804571930.db2.gz FERKMNVODQHHPO-UHFFFAOYSA-N 0 3 299.378 0.818 20 10 CCCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001249173114 807546581 /nfs/dbraw/zinc/54/65/81/807546581.db2.gz QSZBSASHPXSNKE-IINYFYTJSA-N 0 3 279.336 0.920 20 10 CCCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001249173114 807546584 /nfs/dbraw/zinc/54/65/84/807546584.db2.gz QSZBSASHPXSNKE-IINYFYTJSA-N 0 3 279.336 0.920 20 10 CCCDHN OC[C@H]1C[C@H](F)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144499169 840065063 /nfs/dbraw/zinc/06/50/63/840065063.db2.gz CXZYXVYOAPOYTN-IUCAKERBSA-N 0 3 271.288 0.956 20 10 CCCDHN Oc1cc(O)c(CN2CCN(C3COC3)CC2)c(O)c1 ZINC001144500298 840066675 /nfs/dbraw/zinc/06/66/75/840066675.db2.gz QXDYEJILVAUZDH-UHFFFAOYSA-N 0 3 280.324 0.320 20 10 CCCDHN Cn1nc2c(cc1=O)CN(Cc1ccc(N)cc1)CC2 ZINC001334753166 919743568 /nfs/dbraw/zinc/74/35/68/919743568.db2.gz AUBACYKJUHVWAI-UHFFFAOYSA-N 0 3 270.336 0.921 20 10 CCCDHN CCOc1cccc(CNCCS(C)(=O)=O)c1O ZINC000037740512 348200265 /nfs/dbraw/zinc/20/02/65/348200265.db2.gz SEENFSCSLUWDIC-UHFFFAOYSA-N 0 3 273.354 0.925 20 10 CCCDHN COc1ccc(O)c(CN[C@]2(CO)CCOC2)c1 ZINC000184191495 351405931 /nfs/dbraw/zinc/40/59/31/351405931.db2.gz YIQQDMGXRDWORK-ZDUSSCGKSA-N 0 3 253.298 0.642 20 10 CCCDHN COc1ccc([O-])c(C[NH2+][C@]2(CO)CCOC2)c1 ZINC000184191495 351405934 /nfs/dbraw/zinc/40/59/34/351405934.db2.gz YIQQDMGXRDWORK-ZDUSSCGKSA-N 0 3 253.298 0.642 20 10 CCCDHN CCN(CCO)CC[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000187570749 351547541 /nfs/dbraw/zinc/54/75/41/351547541.db2.gz OKBSMVULTZNBLC-UHFFFAOYSA-N 0 3 298.383 0.813 20 10 CCCDHN O=C(C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000296836794 353959898 /nfs/dbraw/zinc/95/98/98/353959898.db2.gz MUCWXLGXCVZNFU-LBPRGKRZSA-N 0 3 276.336 0.828 20 10 CCCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](CO)C1)OCO2 ZINC000092764682 389032431 /nfs/dbraw/zinc/03/24/31/389032431.db2.gz DJMUHFGIEUQQFG-SECBINFHSA-N 0 3 251.282 0.935 20 10 CCCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](CO)C1)OCO2 ZINC000092764682 389032433 /nfs/dbraw/zinc/03/24/33/389032433.db2.gz DJMUHFGIEUQQFG-SECBINFHSA-N 0 3 251.282 0.935 20 10 CCCDHN CNC(=O)NC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000109769049 389100051 /nfs/dbraw/zinc/10/00/51/389100051.db2.gz RSKXHBDLPOUSOO-UHFFFAOYSA-N 0 3 265.313 0.670 20 10 CCCDHN CNC(=O)NC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000109769049 389100052 /nfs/dbraw/zinc/10/00/52/389100052.db2.gz RSKXHBDLPOUSOO-UHFFFAOYSA-N 0 3 265.313 0.670 20 10 CCCDHN NC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000119918021 389141370 /nfs/dbraw/zinc/14/13/70/389141370.db2.gz FEJAGDDCVOQUNW-VIFPVBQESA-N 0 3 278.308 0.818 20 10 CCCDHN NC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000119918021 389141372 /nfs/dbraw/zinc/14/13/72/389141372.db2.gz FEJAGDDCVOQUNW-VIFPVBQESA-N 0 3 278.308 0.818 20 10 CCCDHN CC(C(=O)NCc1ccccc1O)S(C)(=O)=O ZINC000133756891 389239007 /nfs/dbraw/zinc/23/90/07/389239007.db2.gz SWONMBPRHWEJNX-MRVPVSSYSA-N 0 3 257.311 0.442 20 10 CCCDHN COc1cccc(C[NH2+]C[C@H]2COCCO2)c1[O-] ZINC000038060387 174070851 /nfs/dbraw/zinc/07/08/51/174070851.db2.gz RZDBOSRKUKYMKK-NSHDSACASA-N 0 3 253.298 0.906 20 10 CCCDHN CN(C)c1ccc(CN[C@@]2(CO)CCOC2)cc1 ZINC000184191032 262271908 /nfs/dbraw/zinc/27/19/08/262271908.db2.gz YSFLSGVWMRLWEH-CQSZACIVSA-N 0 3 250.342 0.994 20 10 CCCDHN NC(=O)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000377160998 268051334 /nfs/dbraw/zinc/05/13/34/268051334.db2.gz IARBRYYFOLWTKF-VIFPVBQESA-N 0 3 278.308 0.818 20 10 CCCDHN NC(=O)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000377160998 268051336 /nfs/dbraw/zinc/05/13/36/268051336.db2.gz IARBRYYFOLWTKF-VIFPVBQESA-N 0 3 278.308 0.818 20 10 CCCDHN COCCN1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000269256495 328190187 /nfs/dbraw/zinc/19/01/87/328190187.db2.gz KHRVXJIIZKTHRV-AWEZNQCLSA-N 0 3 277.368 0.648 20 10 CCCDHN COC[C@](C)(CO)NCc1cc(OC)c(OC)cc1O ZINC000777483224 581116721 /nfs/dbraw/zinc/11/67/21/581116721.db2.gz ITIMFSFAYQNGGO-AWEZNQCLSA-N 0 3 285.340 0.896 20 10 CCCDHN CCN(CC(N)=O)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000789596038 581152239 /nfs/dbraw/zinc/15/22/39/581152239.db2.gz IUICGAXIRXSQOM-UHFFFAOYSA-N 0 3 290.411 0.746 20 10 CCCDHN COc1cccc(CNC(=O)C(C)S(C)(=O)=O)c1O ZINC000729858885 581616975 /nfs/dbraw/zinc/61/69/75/581616975.db2.gz GEETUUQDIZWEES-QMMMGPOBSA-N 0 3 287.337 0.450 20 10 CCCDHN C[C@@H](N[C@@H](C)C(=O)NC(N)=O)c1ccc(N(C)C)cc1 ZINC000774485758 581954677 /nfs/dbraw/zinc/95/46/77/581954677.db2.gz UWAYVLAQCZAFMW-ZJUUUORDSA-N 0 3 278.356 0.987 20 10 CCCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(N)=O)c1 ZINC000775369472 582021232 /nfs/dbraw/zinc/02/12/32/582021232.db2.gz DJMAVMUHTKVWBS-ZETCQYMHSA-N 0 3 267.285 0.246 20 10 CCCDHN O=C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CCN1 ZINC000768447608 582106826 /nfs/dbraw/zinc/10/68/26/582106826.db2.gz AEJSHNZSFMIYHY-GFCCVEGCSA-N 0 3 278.308 0.140 20 10 CCCDHN COc1ccc(CN[C@@H](C)C(=O)N(C)C)c(O)c1OC ZINC000893997146 617258822 /nfs/dbraw/zinc/25/88/22/617258822.db2.gz IRJKWUFHXSCBQA-VIFPVBQESA-N 0 3 282.340 0.976 20 10 CCCDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850852483 614745607 /nfs/dbraw/zinc/74/56/07/614745607.db2.gz ILAFGJGSCFJQIC-ZDUSSCGKSA-N 0 3 290.367 0.808 20 10 CCCDHN CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000848025694 615000627 /nfs/dbraw/zinc/00/06/27/615000627.db2.gz ZQPHOYFJUPOAOU-NSHDSACASA-N 0 3 296.367 0.920 20 10 CCCDHN CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653512 615057247 /nfs/dbraw/zinc/05/72/47/615057247.db2.gz QWTUYHALWPKMAK-VIFPVBQESA-N 0 3 265.313 0.889 20 10 CCCDHN CCOc1ccc(CN2CCOC3(CNC3)C2)c(O)c1 ZINC000853248383 615510611 /nfs/dbraw/zinc/51/06/11/615510611.db2.gz FEZBJKRWJNFVGM-UHFFFAOYSA-N 0 3 278.352 0.965 20 10 CCCDHN CCOc1ccc(O)c(CN2C[C@@H](O)[C@H](OC)C2)c1 ZINC000825017709 615512257 /nfs/dbraw/zinc/51/22/57/615512257.db2.gz XXPVIESVCRCIEV-ZIAGYGMSSA-N 0 3 267.325 0.982 20 10 CCCDHN CCc1cccc(CNCC(=O)NCC(=O)OC)c1O ZINC000877706285 615683262 /nfs/dbraw/zinc/68/32/62/615683262.db2.gz JPJJIJHLWHXRKA-UHFFFAOYSA-N 0 3 280.324 0.333 20 10 CCCDHN CC[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccccc1[O-] ZINC000927022518 615818547 /nfs/dbraw/zinc/81/85/47/615818547.db2.gz DWYFOKTXSIJLED-PWSUYJOCSA-N 0 3 287.381 0.838 20 10 CCCDHN CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000886322152 615960568 /nfs/dbraw/zinc/96/05/68/615960568.db2.gz PJVZEJQOOAZFBH-UHFFFAOYSA-N 0 3 284.381 0.906 20 10 CCCDHN CN(C)c1cc(F)c(CNCCc2nnnn2C)cc1F ZINC000858156073 616006362 /nfs/dbraw/zinc/00/63/62/616006362.db2.gz KZEXNFDPQGOQIP-UHFFFAOYSA-N 0 3 296.325 0.887 20 10 CCCDHN CN(C)c1ccc(CN(C)c2nc(N)nc(N)n2)cc1 ZINC000858323332 616014001 /nfs/dbraw/zinc/01/40/01/616014001.db2.gz HMJFKCSYFZIJHV-UHFFFAOYSA-N 0 3 273.344 0.738 20 10 CCCDHN CN1CCN(C(=O)C[NH2+]Cc2ccccc2[O-])CC1 ZINC000134230139 616223546 /nfs/dbraw/zinc/22/35/46/616223546.db2.gz RTVGQFQPWBKFNA-UHFFFAOYSA-N 0 3 263.341 0.256 20 10 CCCDHN COCCNC(=O)C1(NCc2cc(OC)ccc2O)CC1 ZINC000839193808 616484778 /nfs/dbraw/zinc/48/47/78/616484778.db2.gz VVRXQNFGALSQAG-UHFFFAOYSA-N 0 3 294.351 0.786 20 10 CCCDHN C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccccc1[O-] ZINC000927031461 633579443 /nfs/dbraw/zinc/57/94/43/633579443.db2.gz OFIPSFKHQVQNTF-NXEZZACHSA-N 0 3 273.354 0.448 20 10 CCCDHN Nc1ccc(CCNC(=O)[C@H](N)CC(F)F)cc1 ZINC000832658798 642510221 /nfs/dbraw/zinc/51/02/21/642510221.db2.gz CIZUNXSTDCJEQX-SNVBAGLBSA-N 0 3 257.284 0.910 20 10 CCCDHN O=C(NC[C@H]1CCCCN1CCO)c1cccc(O)c1O ZINC000833559996 642539960 /nfs/dbraw/zinc/53/99/60/642539960.db2.gz YLJOBTMUARQYGN-LLVKDONJSA-N 0 3 294.351 0.674 20 10 CCCDHN NCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843483017 643073085 /nfs/dbraw/zinc/07/30/85/643073085.db2.gz BOMHGVIBGVAKMS-LBPRGKRZSA-N 0 3 264.325 0.859 20 10 CCCDHN O[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000876749049 646657363 /nfs/dbraw/zinc/65/73/63/646657363.db2.gz HRIXRXSXYMMSRN-IYBDPMFKSA-N 0 3 292.379 0.185 20 10 CCCDHN C[C@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccccc1[O-] ZINC000879650317 647090094 /nfs/dbraw/zinc/09/00/94/647090094.db2.gz UDTVJSAREARKPU-UWVGGRQHSA-N 0 3 277.324 0.983 20 10 CCCDHN NC(=O)[C@H]1COCCC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277441165 805578056 /nfs/dbraw/zinc/57/80/56/805578056.db2.gz IFSZEWIMFRGGKG-GFCCVEGCSA-N 0 3 276.336 0.716 20 10 CCCDHN CN1CC2(C1)CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233015130 806006313 /nfs/dbraw/zinc/00/63/13/806006313.db2.gz HDLVVYCWAYCPHS-UHFFFAOYSA-N 0 3 264.325 0.941 20 10 CCCDHN CC(C)(C)N(Cc1cc(O)c(O)c(O)c1)C[C@@H](O)CO ZINC001233014428 806006986 /nfs/dbraw/zinc/00/69/86/806006986.db2.gz UIKIPSBOHXRBCY-SNVBAGLBSA-N 0 3 285.340 0.757 20 10 CCCDHN CN(C)C1(C)CN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233017201 806009277 /nfs/dbraw/zinc/00/92/77/806009277.db2.gz UWNGMQDTPWQKIW-UHFFFAOYSA-N 0 3 252.314 0.939 20 10 CCCDHN Oc1cc(O)c(CN2CC(C3COC3)C2)cc1O ZINC001233482163 806059528 /nfs/dbraw/zinc/05/95/28/806059528.db2.gz BRUJMKKYJBECOR-UHFFFAOYSA-N 0 3 251.282 0.882 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1c(C)cc(C)cc1O ZINC001236056401 806539063 /nfs/dbraw/zinc/53/90/63/806539063.db2.gz GZYORQCDZGRGDX-ZDUSSCGKSA-N 0 3 278.352 0.956 20 10 CCCDHN COC(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1[NH3+] ZINC001236351465 806581971 /nfs/dbraw/zinc/58/19/71/806581971.db2.gz USFCNESUFPSJHG-KOLCDFICSA-N 0 3 284.743 0.978 20 10 CCCDHN [NH3+]CC1(C(=O)NCc2c([O-])cccc2F)CC(O)C1 ZINC001122257945 799180980 /nfs/dbraw/zinc/18/09/80/799180980.db2.gz GEPBVLDUMBTWMM-UHFFFAOYSA-N 0 3 268.288 0.247 20 10 CCCDHN COC1(C(=O)NCc2c([O-])cccc2F)CC[NH2+]CC1 ZINC001122258328 799181066 /nfs/dbraw/zinc/18/10/66/799181066.db2.gz RPXYHHBNPGJPBS-UHFFFAOYSA-N 0 3 282.315 0.916 20 10 CCCDHN NC(=O)[C@@H]1COCCC12C[NH+](Cc1cc(F)ccc1[O-])C2 ZINC001278254742 806792059 /nfs/dbraw/zinc/79/20/59/806792059.db2.gz GDEYIBZCWXFUFK-LBPRGKRZSA-N 0 3 294.326 0.855 20 10 CCCDHN C[C@]1(CO)CCN(Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156126 799984337 /nfs/dbraw/zinc/98/43/37/799984337.db2.gz FZRUFVSRKGLSHN-UONOGXRCSA-N 0 3 267.325 0.663 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001203620783 803037735 /nfs/dbraw/zinc/03/77/35/803037735.db2.gz IBURDXNCZVVKQF-FZMZJTMJSA-N 0 3 267.325 0.576 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001203620783 803037743 /nfs/dbraw/zinc/03/77/43/803037743.db2.gz IBURDXNCZVVKQF-FZMZJTMJSA-N 0 3 267.325 0.576 20 10 CCCDHN COc1cc(CNC23CC(C(N)=O)(C2)C3)cc(O)c1O ZINC001277219923 805365898 /nfs/dbraw/zinc/36/58/98/805365898.db2.gz VSCGKHSODCPINX-UHFFFAOYSA-N 0 3 278.308 0.604 20 10 CCCDHN CCOc1cccc(CNCC(=O)N(C)OC)c1O ZINC000397541790 811859817 /nfs/dbraw/zinc/85/98/17/811859817.db2.gz OUKYUJMAQCMAIW-UHFFFAOYSA-N 0 3 268.313 0.900 20 10 CCCDHN Oc1cc(O)c(CN2CCN(CCF)CC2)c(O)c1 ZINC001144514660 840074981 /nfs/dbraw/zinc/07/49/81/840074981.db2.gz NWVSHQULOUQOKM-UHFFFAOYSA-N 0 3 270.304 0.891 20 10 CCCDHN Cc1c(O)ccc(CN2C[C@@H]3COC[C@H](C2)N3C)c1O ZINC001276112596 848931090 /nfs/dbraw/zinc/93/10/90/848931090.db2.gz JQZQTEDFCVCCFV-BETUJISGSA-N 0 3 278.352 0.921 20 10 CCCDHN COC(=O)[C@H]1CN(Cc2ccc(N)cc2)C[C@@H]1C(=O)OC ZINC001334753234 919743049 /nfs/dbraw/zinc/74/30/49/919743049.db2.gz BIWUFYGNMNIKHI-STQMWFEESA-N 0 3 292.335 0.663 20 10 CCCDHN C[C@H]1CCNC(=O)[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000193673693 389077416 /nfs/dbraw/zinc/07/74/16/389077416.db2.gz UIXPMMNJZGAJAW-ISVAXAHUSA-N 0 3 278.308 0.735 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]CCCOCCO)c1 ZINC000227521854 389151043 /nfs/dbraw/zinc/15/10/43/389151043.db2.gz MYYUFMPWFCSTFF-UHFFFAOYSA-N 0 3 255.314 0.889 20 10 CCCDHN CN(C)C1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000302137298 273792633 /nfs/dbraw/zinc/79/26/33/273792633.db2.gz NDXWTPCKPIBCQF-UHFFFAOYSA-N 0 3 292.295 0.676 20 10 CCCDHN OC[C@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000785979625 581426107 /nfs/dbraw/zinc/42/61/07/581426107.db2.gz ABAKHKCQMMPQFG-GFCCVEGCSA-N 0 3 284.331 0.105 20 10 CCCDHN CCOc1cccc(CN2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749200 615516248 /nfs/dbraw/zinc/51/62/48/615516248.db2.gz QHCBRVYQZFLVQW-NEPJUHHUSA-N 0 3 267.325 0.718 20 10 CCCDHN C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000842251724 615912570 /nfs/dbraw/zinc/91/25/70/615912570.db2.gz XYDYZNRGDGKDNI-CQSZACIVSA-N 0 3 282.340 0.530 20 10 CCCDHN CN1CC(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853553386 616165180 /nfs/dbraw/zinc/16/51/80/616165180.db2.gz NVZLWKFWVPSFJI-AWEZNQCLSA-N 0 3 278.352 0.811 20 10 CCCDHN CN1CC(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853553386 616165182 /nfs/dbraw/zinc/16/51/82/616165182.db2.gz NVZLWKFWVPSFJI-AWEZNQCLSA-N 0 3 278.352 0.811 20 10 CCCDHN O=c1ccn(CCC[NH2+]Cc2cc(F)ccc2[O-])c(=O)[nH]1 ZINC000898332625 633305592 /nfs/dbraw/zinc/30/55/92/633305592.db2.gz NMCJLTXBWNOGIA-UHFFFAOYSA-N 0 3 293.298 0.974 20 10 CCCDHN Nc1ccc(CCNC(=O)C(N)C(F)(F)F)cc1 ZINC000841848091 642842762 /nfs/dbraw/zinc/84/27/62/642842762.db2.gz UVGGCWYVOWBNNF-SECBINFHSA-N 0 3 261.247 0.817 20 10 CCCDHN C[C@@H](O)[C@@H](CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000842221987 642883623 /nfs/dbraw/zinc/88/36/23/642883623.db2.gz WXPSZLSWHNGFQI-BXUZGUMPSA-N 0 3 298.358 0.494 20 10 CCCDHN Cc1cccc(O)c1CN1CCN2C(=O)NC[C@@H]2C1 ZINC000876799217 646667936 /nfs/dbraw/zinc/66/79/36/646667936.db2.gz BAPJILOBWHOBFB-LLVKDONJSA-N 0 3 261.325 0.910 20 10 CCCDHN Cc1ccc(CN2CC(N3CC[C@@H](O)C3)C2)c(O)c1 ZINC000877605923 646828743 /nfs/dbraw/zinc/82/87/43/646828743.db2.gz XSBYWMNZQIXNKT-CQSZACIVSA-N 0 3 262.353 0.951 20 10 CCCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CO)C[C@H]1CCCO1 ZINC000929969759 648808086 /nfs/dbraw/zinc/80/80/86/648808086.db2.gz DADYPCWETODBGW-ZIAGYGMSSA-N 0 3 281.352 0.726 20 10 CCCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CO)C[C@H]1CCCO1 ZINC000929969759 648808090 /nfs/dbraw/zinc/80/80/90/648808090.db2.gz DADYPCWETODBGW-ZIAGYGMSSA-N 0 3 281.352 0.726 20 10 CCCDHN CN(C)c1ccc(CNS(=O)(=O)CCN)cc1 ZINC000722230281 806441459 /nfs/dbraw/zinc/44/14/59/806441459.db2.gz KFLXPHUEGPSVAE-UHFFFAOYSA-N 0 3 257.359 0.131 20 10 CCCDHN COc1cc(O)c(CN2CC[C@@H](O)[C@@H](CO)C2)cc1OC ZINC001236748987 806607554 /nfs/dbraw/zinc/60/75/54/806607554.db2.gz DFGIBISGDVULEU-VXGBXAGGSA-N 0 3 297.351 0.585 20 10 CCCDHN COc1cc(O)c(CN2CC[C@H](O)[C@H](CO)C2)cc1OC ZINC001236748985 806607572 /nfs/dbraw/zinc/60/75/72/806607572.db2.gz DFGIBISGDVULEU-RYUDHWBXSA-N 0 3 297.351 0.585 20 10 CCCDHN CCOc1ccc(C[N@H+](C)C[C@@H](O)CO)c([O-])c1 ZINC001237040208 806632977 /nfs/dbraw/zinc/63/29/77/806632977.db2.gz GAWVLFLISCWLEE-LLVKDONJSA-N 0 3 255.314 0.576 20 10 CCCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](O)CO)c([O-])c1 ZINC001237040208 806632979 /nfs/dbraw/zinc/63/29/79/806632979.db2.gz GAWVLFLISCWLEE-LLVKDONJSA-N 0 3 255.314 0.576 20 10 CCCDHN Cc1c(O)ccc(CN2CCOC[C@@H](O)C2)c1O ZINC001140744404 799937301 /nfs/dbraw/zinc/93/73/01/799937301.db2.gz WLJXFMAOZSJRDS-NSHDSACASA-N 0 3 253.298 0.599 20 10 CCCDHN C[C@]1(CO)CN(Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141155895 799985593 /nfs/dbraw/zinc/98/55/93/799985593.db2.gz AFOIXXRTTRKKDF-UONOGXRCSA-N 0 3 267.325 0.663 20 10 CCCDHN COc1cccc(CN2CCN(CCCO)CC2)c1O ZINC001203589511 803036026 /nfs/dbraw/zinc/03/60/26/803036026.db2.gz JXHKKNHGOKCPLU-UHFFFAOYSA-N 0 3 280.368 0.901 20 10 CCCDHN Cc1cc(C)c(CNC(=O)[C@H](N)Cc2c[nH]cn2)c(O)c1 ZINC001220825423 804674116 /nfs/dbraw/zinc/67/41/16/804674116.db2.gz GYTSMWFEHRKJOH-CYBMUJFWSA-N 0 3 288.351 0.918 20 10 CCCDHN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])CN1 ZINC001246170551 807175557 /nfs/dbraw/zinc/17/55/57/807175557.db2.gz MXLUFXQKTRTLHH-NEPJUHHUSA-N 0 3 264.325 0.775 20 10 CCCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C(=O)OC ZINC001252425456 807837967 /nfs/dbraw/zinc/83/79/67/807837967.db2.gz DBGUABRGJFONDN-GFCCVEGCSA-N 0 3 253.298 0.748 20 10 CCCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C(=O)OC ZINC001252425456 807837974 /nfs/dbraw/zinc/83/79/74/807837974.db2.gz DBGUABRGJFONDN-GFCCVEGCSA-N 0 3 253.298 0.748 20 10 CCCDHN O=S1(=O)CCCN1CCC[NH2+]Cc1ccccc1[O-] ZINC000695423371 811697030 /nfs/dbraw/zinc/69/70/30/811697030.db2.gz GDLFSZCKBMALJD-UHFFFAOYSA-N 0 3 284.381 0.907 20 10 CCCDHN O=[N+]([O-])c1cc2c(cc1N1C[C@H](O)C[C@@H]1CO)CNC2 ZINC001170286856 837296279 /nfs/dbraw/zinc/29/62/79/837296279.db2.gz BSQCHEZJLGVPSG-GHMZBOCLSA-N 0 3 279.296 0.130 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001203620986 844437926 /nfs/dbraw/zinc/43/79/26/844437926.db2.gz LXZWTRHQSDVESB-HUUCEWRRSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001203620986 844437931 /nfs/dbraw/zinc/43/79/31/844437931.db2.gz LXZWTRHQSDVESB-HUUCEWRRSA-N 0 3 281.352 0.966 20 10 CCCDHN OC[C@@H]1C[C@@H]2OCCN(Cc3c(O)cc(O)cc3O)[C@H]2C1 ZINC001144504317 840068307 /nfs/dbraw/zinc/06/83/07/840068307.db2.gz PHGFENOYPWEBFV-FMSQNYNMSA-N 0 3 295.335 0.775 20 10 CCCDHN CN1CCC[C@H](NC(=O)CN2C(=O)CSC2=S)C1 ZINC001144848679 840158431 /nfs/dbraw/zinc/15/84/31/840158431.db2.gz VBIMRILYMQKAGU-QMMMGPOBSA-N 0 3 287.410 0.057 20 10 CCCDHN [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H]1O ZINC001206524922 843860449 /nfs/dbraw/zinc/86/04/49/843860449.db2.gz ALWYPTGMWCKIKQ-CABZTGNLSA-N 0 3 256.733 0.797 20 10 CCCDHN NC(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC001325271724 913311949 /nfs/dbraw/zinc/31/19/49/913311949.db2.gz VOOLQOBNXIQAPZ-NOZJJQNGSA-N 0 3 292.335 0.515 20 10 CCCDHN NC(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC001325271724 913311966 /nfs/dbraw/zinc/31/19/66/913311966.db2.gz VOOLQOBNXIQAPZ-NOZJJQNGSA-N 0 3 292.335 0.515 20 10 CCCDHN Nc1ccc(CN2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC001335285582 920091944 /nfs/dbraw/zinc/09/19/44/920091944.db2.gz QCDNGSZWZPUKTR-LBPRGKRZSA-N 0 3 283.397 0.769 20 10 CCCDHN Cc1ccc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c([O-])c1 ZINC000187548359 351546399 /nfs/dbraw/zinc/54/63/99/351546399.db2.gz UGMKRSBJVVOLSX-JTQLQIEISA-N 0 3 277.324 0.903 20 10 CCCDHN Cc1cc(CN2C[C@@H](O)[C@@H](O)C2)ccc1N(C)C ZINC000294260679 353882795 /nfs/dbraw/zinc/88/27/95/353882795.db2.gz UZXWLUFZFFZQHV-OKILXGFUSA-N 0 3 250.342 0.598 20 10 CCCDHN Cc1cc(CN2C[C@@H](O)[C@H](O)C2)ccc1N(C)C ZINC000294260682 353882949 /nfs/dbraw/zinc/88/29/49/353882949.db2.gz UZXWLUFZFFZQHV-ZIAGYGMSSA-N 0 3 250.342 0.598 20 10 CCCDHN C[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000109773081 389099674 /nfs/dbraw/zinc/09/96/74/389099674.db2.gz XDMQRZHIBZEXIK-UHFFFAOYSA-N 0 3 251.286 0.409 20 10 CCCDHN C[N@@H+](CCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000109773081 389099678 /nfs/dbraw/zinc/09/96/78/389099678.db2.gz XDMQRZHIBZEXIK-UHFFFAOYSA-N 0 3 251.286 0.409 20 10 CCCDHN CN1C[C@H](NCc2cc3c(cc2O)OCO3)CC1=O ZINC000263797575 327519527 /nfs/dbraw/zinc/51/95/27/327519527.db2.gz ZLMSFRCNQGIKNT-SECBINFHSA-N 0 3 264.281 0.441 20 10 CCCDHN Cc1cc(O)c(CNCCS(=O)(=O)N(C)C)cc1C ZINC000289590877 525323522 /nfs/dbraw/zinc/32/35/22/525323522.db2.gz NBNBPZLVNIQOGW-UHFFFAOYSA-N 0 3 286.397 0.990 20 10 CCCDHN OC[C@@]12C[C@@H]1CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000783739568 581358195 /nfs/dbraw/zinc/35/81/95/581358195.db2.gz GBMSJENVKCMWQF-YGRLFVJLSA-N 0 3 263.293 0.935 20 10 CCCDHN CN1C(=O)C(=CNNc2ncccc2F)C(=O)N(C)C1=O ZINC000794701695 581384307 /nfs/dbraw/zinc/38/43/07/581384307.db2.gz WJKNHFICWKTOOJ-UHFFFAOYSA-N 0 3 293.258 0.072 20 10 CCCDHN NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770510062 581749253 /nfs/dbraw/zinc/74/92/53/581749253.db2.gz IGNKCOKTTRIHMU-LLVKDONJSA-N 0 3 284.381 0.893 20 10 CCCDHN NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770510062 581749257 /nfs/dbraw/zinc/74/92/57/581749257.db2.gz IGNKCOKTTRIHMU-LLVKDONJSA-N 0 3 284.381 0.893 20 10 CCCDHN COc1cc(O)c(CN2C[C@H]3C[C@@]3(O)C2)cc1OC ZINC000895653856 617207853 /nfs/dbraw/zinc/20/78/53/617207853.db2.gz OFCVSDRLHGERBR-QMTHXVAHSA-N 0 3 265.309 0.976 20 10 CCCDHN COc1ccc(CN(C)[C@@]2(CO)CCOC2)c(O)c1OC ZINC000895539274 617248497 /nfs/dbraw/zinc/24/84/97/617248497.db2.gz WLQDRRITMVWNKR-OAHLLOKOSA-N 0 3 297.351 0.993 20 10 CCCDHN CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000898359233 615238190 /nfs/dbraw/zinc/23/81/90/615238190.db2.gz NNJDPQOWZIGBFB-QWHCGFSZSA-N 0 3 294.351 0.931 20 10 CCCDHN CN(C)C[C@@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000854465056 615924590 /nfs/dbraw/zinc/92/45/90/615924590.db2.gz NZHSPRFJUVPWRA-QZPNVGJNSA-N 0 3 280.324 0.150 20 10 CCCDHN CN(C)c1ccc(/C=C/CNC(CO)CO)cc1 ZINC000835040258 616011197 /nfs/dbraw/zinc/01/11/97/616011197.db2.gz OOYMFAQKYZMAPJ-ONEGZZNKSA-N 0 3 250.342 0.709 20 10 CCCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C(=O)NC2CC2)cc1 ZINC000843298094 616019145 /nfs/dbraw/zinc/01/91/45/616019145.db2.gz MELJDCVXANHPBA-ZDUSSCGKSA-N 0 3 290.367 0.147 20 10 CCCDHN CN(CCO)CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000912607095 616099714 /nfs/dbraw/zinc/09/97/14/616099714.db2.gz BHBSZQSCZJPENO-GQCTYLIASA-N 0 3 294.351 0.494 20 10 CCCDHN C[NH+]1CCC(ONC(=O)c2cccc(O)c2[O-])CC1 ZINC000846649717 616176173 /nfs/dbraw/zinc/17/61/73/616176173.db2.gz HTKQCHIKCNSSFO-UHFFFAOYSA-N 0 3 266.297 0.853 20 10 CCCDHN COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(F)ccc1[O-] ZINC000843124362 616398945 /nfs/dbraw/zinc/39/89/45/616398945.db2.gz ZDCGLKLNRLGWLO-LBPRGKRZSA-N 0 3 282.315 0.868 20 10 CCCDHN CN1C[C@H](O)C[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000924990481 616482355 /nfs/dbraw/zinc/48/23/55/616482355.db2.gz VXWKHQXUUANTAH-HRHAQSILSA-N 0 3 292.335 0.292 20 10 CCCDHN CNS(=O)(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000111234981 617008362 /nfs/dbraw/zinc/00/83/62/617008362.db2.gz UBPQWOQQOIZLCC-UHFFFAOYSA-N 0 3 272.370 0.763 20 10 CCCDHN CNS(=O)(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000111234981 617008370 /nfs/dbraw/zinc/00/83/70/617008370.db2.gz UBPQWOQQOIZLCC-UHFFFAOYSA-N 0 3 272.370 0.763 20 10 CCCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)(CO)CC1 ZINC000827145976 641983996 /nfs/dbraw/zinc/98/39/96/641983996.db2.gz ADOWFVXCJOKRLN-UHFFFAOYSA-N 0 3 255.289 0.851 20 10 CCCDHN OCC1(O)CCN(Cc2cc(F)ccc2O)CC1 ZINC000827145976 641983999 /nfs/dbraw/zinc/98/39/99/641983999.db2.gz ADOWFVXCJOKRLN-UHFFFAOYSA-N 0 3 255.289 0.851 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000850358378 643799161 /nfs/dbraw/zinc/79/91/61/643799161.db2.gz OHFOBUANRBAMII-OAHLLOKOSA-N 0 3 297.351 0.658 20 10 CCCDHN O=C1OC[C@]2(C[NH2+]Cc3ccccc3[O-])COCCN12 ZINC000865770600 645415470 /nfs/dbraw/zinc/41/54/70/645415470.db2.gz SVLGIBPCZQBITF-AWEZNQCLSA-N 0 3 278.308 0.703 20 10 CCCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(N)=O ZINC000877481009 646818311 /nfs/dbraw/zinc/81/83/11/646818311.db2.gz RMDLSOSJUGDGRU-LLVKDONJSA-N 0 3 277.368 0.611 20 10 CCCDHN O=S1(=O)CCC[C@@H]1CNCc1cc2c(cc1O)OCO2 ZINC000133915761 647660700 /nfs/dbraw/zinc/66/07/00/647660700.db2.gz XRHCTCDZRIJLTQ-SNVBAGLBSA-N 0 3 299.348 0.788 20 10 CCCDHN NC(=O)[C@@H]1COCCC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277441168 805578537 /nfs/dbraw/zinc/57/85/37/805578537.db2.gz IFSZEWIMFRGGKG-LBPRGKRZSA-N 0 3 276.336 0.716 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001140057686 790663454 /nfs/dbraw/zinc/66/34/54/790663454.db2.gz KBNWGCXMTXCYTL-ZANVPECISA-N 0 3 255.289 0.706 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001140057686 790663459 /nfs/dbraw/zinc/66/34/59/790663459.db2.gz KBNWGCXMTXCYTL-ZANVPECISA-N 0 3 255.289 0.706 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1cccc(C)c1O ZINC001236055553 806537034 /nfs/dbraw/zinc/53/70/34/806537034.db2.gz RBJNMGKDKLOQPA-LBPRGKRZSA-N 0 3 264.325 0.647 20 10 CCCDHN O=C1COC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)CN1 ZINC001204279637 803075866 /nfs/dbraw/zinc/07/58/66/803075866.db2.gz DHPPTOOYFSVHSN-UHFFFAOYSA-N 0 3 292.335 0.579 20 10 CCCDHN COC(=O)Cc1ccc(CN2C[C@@H](F)[C@@H](N)C2)c(O)c1 ZINC001204843631 803105066 /nfs/dbraw/zinc/10/50/66/803105066.db2.gz SAABVJLWKAOFPN-NEPJUHHUSA-N 0 3 282.315 0.589 20 10 CCCDHN [NH3+][C@@H]1CN(Cc2c([O-])cccc2Cl)CC[C@H]1O ZINC001206092564 803205462 /nfs/dbraw/zinc/20/54/62/803205462.db2.gz NCMBWYMMJUZEHV-ZYHUDNBSSA-N 0 3 256.733 0.940 20 10 CCCDHN C[S@@](=O)CC[C@H](N)C(=O)NCc1ccccc1O ZINC001219923160 804447938 /nfs/dbraw/zinc/44/79/38/804447938.db2.gz DVAOPXHXLZKYQZ-XTZNXHDOSA-N 0 3 270.354 0.104 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1 ZINC001246168349 807173405 /nfs/dbraw/zinc/17/34/05/807173405.db2.gz CLIGAQIGRNFHOD-MNOVXSKESA-N 0 3 250.298 0.385 20 10 CCCDHN COC(=O)[C@@H]1C[C@H](NCc2cccc(O)c2O)CN1 ZINC001246317864 807220245 /nfs/dbraw/zinc/22/02/45/807220245.db2.gz RUFYWQWZAQEQPA-UWVGGRQHSA-N 0 3 266.297 0.091 20 10 CCCDHN COC(=O)Cc1ccc(CN2CC(C(N)=O)C2)c(O)c1 ZINC001249208604 807547791 /nfs/dbraw/zinc/54/77/91/807547791.db2.gz YBGFGTHAMNFSMO-UHFFFAOYSA-N 0 3 278.308 0.025 20 10 CCCDHN COC(=O)Cc1ccc(C[NH+]2CC(C(N)=O)C2)c([O-])c1 ZINC001249208604 807547794 /nfs/dbraw/zinc/54/77/94/807547794.db2.gz YBGFGTHAMNFSMO-UHFFFAOYSA-N 0 3 278.308 0.025 20 10 CCCDHN CN1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001135306797 839202402 /nfs/dbraw/zinc/20/24/02/839202402.db2.gz ZVAPLCZKYBKFJM-UHFFFAOYSA-N 0 3 264.325 0.804 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001203620451 844435716 /nfs/dbraw/zinc/43/57/16/844435716.db2.gz FXSYQTRYXIMYHQ-WCQYABFASA-N 0 3 267.325 0.576 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001203620451 844435721 /nfs/dbraw/zinc/43/57/21/844435721.db2.gz FXSYQTRYXIMYHQ-WCQYABFASA-N 0 3 267.325 0.576 20 10 CCCDHN CS(=O)(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000036828264 841235130 /nfs/dbraw/zinc/23/51/30/841235130.db2.gz FYDOLMJOBOCEHS-UHFFFAOYSA-N 0 3 284.381 0.906 20 10 CCCDHN CC(C)(C)OC(=O)[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253704843 851030295 /nfs/dbraw/zinc/03/02/95/851030295.db2.gz VTLROPPIFAZGHN-LBPRGKRZSA-N 0 3 283.324 0.890 20 10 CCCDHN COc1ccc(CNC[C@@H](C)N(C)C(=O)C(N)=O)cc1C ZINC001482326703 893872159 /nfs/dbraw/zinc/87/21/59/893872159.db2.gz MYQRTATYYFWQSL-LLVKDONJSA-N 0 3 293.367 0.425 20 10 CCCDHN CN1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000386616220 897471122 /nfs/dbraw/zinc/47/11/22/897471122.db2.gz DGYXMAATTSJFRC-CQSZACIVSA-N 0 3 289.379 0.844 20 10 CCCDHN C[NH+](C)C1(CNC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000187094397 351529202 /nfs/dbraw/zinc/52/92/02/351529202.db2.gz WGHJZXHPUAXFMU-UHFFFAOYSA-N 0 3 294.351 0.938 20 10 CCCDHN COc1cccc(CN2C[C@@H](O)C[C@H]2CO)c1O ZINC000187668360 351551039 /nfs/dbraw/zinc/55/10/39/351551039.db2.gz YFVJMFFRLRQWLZ-QWRGUYRKSA-N 0 3 253.298 0.328 20 10 CCCDHN COc1cccc(CNCCS(=O)(=O)N(C)C)c1O ZINC000230989692 352123968 /nfs/dbraw/zinc/12/39/68/352123968.db2.gz NFGGFCWSWSBEKK-UHFFFAOYSA-N 0 3 288.369 0.382 20 10 CCCDHN CN(Cc1cc2c(cc1O)OCO2)CC(C)(CO)CO ZINC000271206144 353032674 /nfs/dbraw/zinc/03/26/74/353032674.db2.gz WFOIWEHDZSIUFK-UHFFFAOYSA-N 0 3 283.324 0.544 20 10 CCCDHN O=C1C[C@@]2(CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)CN1 ZINC000278611287 353303012 /nfs/dbraw/zinc/30/30/12/353303012.db2.gz DLAQGHWCIBOXDO-HNNXBMFYSA-N 0 3 290.319 0.833 20 10 CCCDHN O=C1C[C@@]2(CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)CN1 ZINC000278611287 353303015 /nfs/dbraw/zinc/30/30/15/353303015.db2.gz DLAQGHWCIBOXDO-HNNXBMFYSA-N 0 3 290.319 0.833 20 10 CCCDHN CN(C)c1ccc(CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000248647642 389248499 /nfs/dbraw/zinc/24/84/99/389248499.db2.gz TUFSDZYSVGJLCV-UONOGXRCSA-N 0 3 250.342 0.680 20 10 CCCDHN Cc1cccc(C[NH2+]CCCn2cc(CO)nn2)c1[O-] ZINC000291698940 524432651 /nfs/dbraw/zinc/43/26/51/524432651.db2.gz YTUDZNNBKAFZLB-UHFFFAOYSA-N 0 3 276.340 0.964 20 10 CCCDHN COc1cccc(C[N@H+](C)CC(C)(CO)CO)c1[O-] ZINC000093502789 525912886 /nfs/dbraw/zinc/91/28/86/525912886.db2.gz WBANLXCPDGEZSL-UHFFFAOYSA-N 0 3 269.341 0.824 20 10 CCCDHN COc1cccc(C[N@@H+](C)CC(C)(CO)CO)c1[O-] ZINC000093502789 525912894 /nfs/dbraw/zinc/91/28/94/525912894.db2.gz WBANLXCPDGEZSL-UHFFFAOYSA-N 0 3 269.341 0.824 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+][C@@]1(CCO)CCOC1)OCO2 ZINC000278521346 527573028 /nfs/dbraw/zinc/57/30/28/527573028.db2.gz SDWIWKYDXFTIHC-AWEZNQCLSA-N 0 3 281.308 0.752 20 10 CCCDHN CCOc1ccc(CNC2(C(N)=O)CC2)c(O)c1 ZINC000792174013 581250565 /nfs/dbraw/zinc/25/05/65/581250565.db2.gz CBPKZDXBAWDSPV-UHFFFAOYSA-N 0 3 250.298 0.898 20 10 CCCDHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000775369131 582021106 /nfs/dbraw/zinc/02/11/06/582021106.db2.gz KNQUGLQLNDBOLS-DTWKUNHWSA-N 0 3 295.339 0.896 20 10 CCCDHN CNC(=O)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775830305 582041776 /nfs/dbraw/zinc/04/17/76/582041776.db2.gz HIVQMOHOBLAHAI-SNVBAGLBSA-N 0 3 278.356 0.859 20 10 CCCDHN CNC(=O)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830304 582041833 /nfs/dbraw/zinc/04/18/33/582041833.db2.gz HIVQMOHOBLAHAI-JTQLQIEISA-N 0 3 278.356 0.859 20 10 CCCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768443584 582106678 /nfs/dbraw/zinc/10/66/78/582106678.db2.gz SXESTAHFVRSQKT-TVQRCGJNSA-N 0 3 293.319 0.813 20 10 CCCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768443584 582106679 /nfs/dbraw/zinc/10/66/79/582106679.db2.gz SXESTAHFVRSQKT-TVQRCGJNSA-N 0 3 293.319 0.813 20 10 CCCDHN COc1cc(C)cc(CNCC(=O)N(C)OC)c1O ZINC000895046547 617175716 /nfs/dbraw/zinc/17/57/16/617175716.db2.gz KPIXSWDRWMLCLZ-UHFFFAOYSA-N 0 3 268.313 0.819 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000858297574 617305258 /nfs/dbraw/zinc/30/52/58/617305258.db2.gz GZRPFFRDFGLXSY-LLVKDONJSA-N 0 3 266.341 0.557 20 10 CCCDHN COC(=O)CC[C@H](N)C(=O)NCc1ccc(OC)cc1O ZINC000832178894 616576619 /nfs/dbraw/zinc/57/66/19/616576619.db2.gz ZJPCFYOAQXFHCQ-NSHDSACASA-N 0 3 296.323 0.298 20 10 CCCDHN COC[C@H]1C[C@@H](O)CN1Cc1cc2c(cc1O)OCO2 ZINC000846052687 616813993 /nfs/dbraw/zinc/81/39/93/616813993.db2.gz IDBISCZVTPMGOE-GHMZBOCLSA-N 0 3 281.308 0.703 20 10 CCCDHN COc1ccc(N2CCC(NC(=O)CN)CC2)cc1 ZINC000167240155 623359185 /nfs/dbraw/zinc/35/91/85/623359185.db2.gz GKVLQRJFVFLVPE-UHFFFAOYSA-N 0 3 263.341 0.739 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(CO)COCCN1C ZINC000896457375 632253113 /nfs/dbraw/zinc/25/31/13/632253113.db2.gz ISDXIQFLTFJIHM-HNNXBMFYSA-N 0 3 280.368 0.483 20 10 CCCDHN O=C1NC[C@H](O)CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000897042644 632380667 /nfs/dbraw/zinc/38/06/67/632380667.db2.gz RXCAXZNMUVFXSP-CYBMUJFWSA-N 0 3 290.363 0.855 20 10 CCCDHN C[N@@H+](CCCS(N)(=O)=O)Cc1ccccc1[O-] ZINC000171937088 637151918 /nfs/dbraw/zinc/15/19/18/637151918.db2.gz QZFKAZLFTKYXRB-UHFFFAOYSA-N 0 3 258.343 0.503 20 10 CCCDHN C[N@H+](CCCS(N)(=O)=O)Cc1ccccc1[O-] ZINC000171937088 637151916 /nfs/dbraw/zinc/15/19/16/637151916.db2.gz QZFKAZLFTKYXRB-UHFFFAOYSA-N 0 3 258.343 0.503 20 10 CCCDHN OCC1(O)CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000827147222 641984407 /nfs/dbraw/zinc/98/44/07/641984407.db2.gz OGMZBLRSFPBROE-UHFFFAOYSA-N 0 3 281.308 0.440 20 10 CCCDHN Cc1ccc(C(=O)N[C@@H](CO)CN(C)C)c(O)c1O ZINC000854465962 644208034 /nfs/dbraw/zinc/20/80/34/644208034.db2.gz VHOUVXBGBIJZJV-SECBINFHSA-N 0 3 268.313 0.059 20 10 CCCDHN COc1ccc(CN[C@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC001019314331 650960414 /nfs/dbraw/zinc/96/04/14/650960414.db2.gz HZOKLAFIEZKZKW-LBPRGKRZSA-N 0 3 291.351 0.179 20 10 CCCDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@@H]3C1)[C@@H](O)CO2 ZINC000872785710 646324421 /nfs/dbraw/zinc/32/44/21/646324421.db2.gz HRMFRAHDRVBSSU-WDMOLILDSA-N 0 3 277.320 0.896 20 10 CCCDHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@@H]3C1)[C@@H](O)CO2 ZINC000872785710 646324424 /nfs/dbraw/zinc/32/44/24/646324424.db2.gz HRMFRAHDRVBSSU-WDMOLILDSA-N 0 3 277.320 0.896 20 10 CCCDHN Cc1ccc(CN2CC[C@H](S(N)(=O)=O)C2)c(O)c1 ZINC000877464048 646817647 /nfs/dbraw/zinc/81/76/47/646817647.db2.gz IZLQACAYYOTLEU-NSHDSACASA-N 0 3 270.354 0.563 20 10 CCCDHN Cc1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)c([O-])c1 ZINC000877584687 646825961 /nfs/dbraw/zinc/82/59/61/646825961.db2.gz INNONXCMLWBBEA-GFCCVEGCSA-N 0 3 262.313 0.443 20 10 CCCDHN C[C@@H](NC(=O)CN[C@H](C)c1ccccc1O)C(=O)N(C)C ZINC000879649666 647089672 /nfs/dbraw/zinc/08/96/72/647089672.db2.gz SDMGTEBLEYZMGX-GHMZBOCLSA-N 0 3 293.367 0.636 20 10 CCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CN1CCOCC1 ZINC000305175220 649842329 /nfs/dbraw/zinc/84/23/29/649842329.db2.gz AOUMUCLVBYDSTH-AWEZNQCLSA-N 0 3 280.368 0.517 20 10 CCCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CN1CCOCC1 ZINC000305175220 649842330 /nfs/dbraw/zinc/84/23/30/649842330.db2.gz AOUMUCLVBYDSTH-AWEZNQCLSA-N 0 3 280.368 0.517 20 10 CCCDHN COc1cc(CN2CC[C@H](O)[C@](C)(CO)C2)c(O)cc1O ZINC001231634465 805823590 /nfs/dbraw/zinc/82/35/90/805823590.db2.gz NKMKLOKGKOHREI-GJZGRUSLSA-N 0 3 297.351 0.672 20 10 CCCDHN COc1cc(CN2CCN3CC[C@H]3C2)c(O)cc1O ZINC001231641048 805825684 /nfs/dbraw/zinc/82/56/84/805825684.db2.gz YCCMQYHFYTUGRB-NSHDSACASA-N 0 3 264.325 0.996 20 10 CCCDHN COc1cc(O)c(CN2CC[C@@H](CO)[C@@H](O)C2)cc1OC ZINC001236750726 806606835 /nfs/dbraw/zinc/60/68/35/806606835.db2.gz XZMHRGWQLPUUHS-GWCFXTLKSA-N 0 3 297.351 0.585 20 10 CCCDHN NC1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001160924898 802047358 /nfs/dbraw/zinc/04/73/58/802047358.db2.gz RXKSWHOBTUOZQG-UHFFFAOYSA-N 0 3 262.309 0.864 20 10 CCCDHN O=C1NCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276251 803076193 /nfs/dbraw/zinc/07/61/93/803076193.db2.gz IJZWPJYEGNLPQY-AWEZNQCLSA-N 0 3 262.309 0.810 20 10 CCCDHN O=C1NCC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276251 803076200 /nfs/dbraw/zinc/07/62/00/803076200.db2.gz IJZWPJYEGNLPQY-AWEZNQCLSA-N 0 3 262.309 0.810 20 10 CCCDHN Cc1cc([O-])c(CN2C[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205363980 803138567 /nfs/dbraw/zinc/13/85/67/803138567.db2.gz XPMKUYRLLXXNAS-ZYHUDNBSSA-N 0 3 256.733 0.858 20 10 CCCDHN [NH3+]C[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001206467821 803246930 /nfs/dbraw/zinc/24/69/30/803246930.db2.gz ALWYPTGMWCKIKQ-JOYOIKCWSA-N 0 3 256.733 0.797 20 10 CCCDHN C[S@](=O)CC[C@H](N)C(=O)NCc1ccccc1O ZINC001219923161 804447902 /nfs/dbraw/zinc/44/79/02/804447902.db2.gz DVAOPXHXLZKYQZ-YPMLDQLKSA-N 0 3 270.354 0.104 20 10 CCCDHN COC(=O)[C@@H]1CC[C@H](NCc2ccc(O)c(O)c2)CN1 ZINC001246277600 807206166 /nfs/dbraw/zinc/20/61/66/807206166.db2.gz JBYCRXUAAGGRJJ-QWRGUYRKSA-N 0 3 280.324 0.481 20 10 CCCDHN COc1cc(O)c(CN2C[C@H](CO)[C@H](O)C2)cc1OC ZINC001236749551 817403457 /nfs/dbraw/zinc/40/34/57/817403457.db2.gz JVESOFJIKISQGT-ZYHUDNBSSA-N 0 3 283.324 0.194 20 10 CCCDHN CN1CCC(CO)(NC(=O)c2cccc(O)c2O)CC1 ZINC001148225850 840768666 /nfs/dbraw/zinc/76/86/66/840768666.db2.gz VGEJFBXOGQTKQX-UHFFFAOYSA-N 0 3 280.324 0.284 20 10 CCCDHN C[NH+](C)C[C@H]1COCCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148587282 840853944 /nfs/dbraw/zinc/85/39/44/840853944.db2.gz GQVAOWDLFZAXAJ-JTQLQIEISA-N 0 3 296.323 0.206 20 10 CCCDHN C[C@H](C[NH+](C)C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589697 840856512 /nfs/dbraw/zinc/85/65/12/840856512.db2.gz HOIOLTRSILCGKQ-SSDOTTSWSA-N 0 3 254.286 0.483 20 10 CCCDHN CN1CCN(C(=O)CNCc2ccc3c(c2)CCO3)CC1 ZINC001199811841 847444516 /nfs/dbraw/zinc/44/45/16/847444516.db2.gz DMDSUWHKMZCOEU-UHFFFAOYSA-N 0 3 289.379 0.485 20 10 CCCDHN O=C(C[C@H]1C[NH2+]CCO1)NCc1c([O-])cccc1F ZINC001341768699 892600414 /nfs/dbraw/zinc/60/04/14/892600414.db2.gz VPEINQGCJWLQSY-VIFPVBQESA-N 0 3 268.288 0.526 20 10 CCCDHN O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cccc(O)c1[O-] ZINC001328025141 914931178 /nfs/dbraw/zinc/93/11/78/914931178.db2.gz CRZZROZKZMEDMD-LLVKDONJSA-N 0 3 294.351 0.674 20 10 CCCDHN O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cccc(O)c1[O-] ZINC001328025141 914931196 /nfs/dbraw/zinc/93/11/96/914931196.db2.gz CRZZROZKZMEDMD-LLVKDONJSA-N 0 3 294.351 0.674 20 10 CCCDHN CCCOc1ccc(CN2C[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000093483813 349544389 /nfs/dbraw/zinc/54/43/89/349544389.db2.gz DHOYTFUORPLGIB-OKILXGFUSA-N 0 3 267.325 0.718 20 10 CCCDHN CSCC[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 ZINC000147462371 350469290 /nfs/dbraw/zinc/46/92/90/350469290.db2.gz FCVJLZZVWXRNCW-SNVBAGLBSA-N 0 3 284.381 0.837 20 10 CCCDHN CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000187181618 351532770 /nfs/dbraw/zinc/53/27/70/351532770.db2.gz PRDSZRLLSPRXNA-QMMMGPOBSA-N 0 3 276.333 0.731 20 10 CCCDHN CNS(=O)(=O)CCNCc1cc(C)ccc1O ZINC000190305064 351717183 /nfs/dbraw/zinc/71/71/83/351717183.db2.gz LLWKIHLCUPNWHC-UHFFFAOYSA-N 0 3 258.343 0.339 20 10 CCCDHN OCCCN(CCO)Cc1cc2c(cc1O)OCO2 ZINC000271180850 353030034 /nfs/dbraw/zinc/03/00/34/353030034.db2.gz LXJURKYXHRJUBE-UHFFFAOYSA-N 0 3 269.297 0.298 20 10 CCCDHN COC[C@H](CCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000219136694 389137362 /nfs/dbraw/zinc/13/73/62/389137362.db2.gz QYZKBXPUCCVBDG-JTQLQIEISA-N 0 3 269.297 0.608 20 10 CCCDHN NS(=O)(=O)[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000360342779 389196377 /nfs/dbraw/zinc/19/63/77/389196377.db2.gz KIWLRCIODYVEAT-LLVKDONJSA-N 0 3 270.354 0.645 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]CCC(=O)N2CCOCC2)c1 ZINC000135757690 389261679 /nfs/dbraw/zinc/26/16/79/389261679.db2.gz WXJQBGFRMPQOLJ-UHFFFAOYSA-N 0 3 294.351 0.739 20 10 CCCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)CN1CCOCC1 ZINC000180184733 389667187 /nfs/dbraw/zinc/66/71/87/389667187.db2.gz JAQJRJXXBSHYGN-CQSZACIVSA-N 0 3 298.358 0.656 20 10 CCCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)CN1CCOCC1 ZINC000180184733 389667189 /nfs/dbraw/zinc/66/71/89/389667189.db2.gz JAQJRJXXBSHYGN-CQSZACIVSA-N 0 3 298.358 0.656 20 10 CCCDHN CCOc1ccc(C[NH2+]C[C@@H]2COCCN2)c([O-])c1 ZINC000530182723 390875905 /nfs/dbraw/zinc/87/59/05/390875905.db2.gz YQFQCPYJPKANHN-GFCCVEGCSA-N 0 3 266.341 0.869 20 10 CCCDHN COC[C@@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000181972712 261917357 /nfs/dbraw/zinc/91/73/57/261917357.db2.gz BJQLRZRULHPPGS-INIZCTEOSA-N 0 3 294.395 0.962 20 10 CCCDHN C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cc(F)ccc1[O-] ZINC000185200966 262046321 /nfs/dbraw/zinc/04/63/21/262046321.db2.gz VERGMEDFWCOINW-MRVPVSSYSA-N 0 3 281.287 0.734 20 10 CCCDHN CO[C@@H](CN)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000290029208 523502132 /nfs/dbraw/zinc/50/21/32/523502132.db2.gz RQYHUBCJVPDCGT-AWEZNQCLSA-N 0 3 277.368 0.659 20 10 CCCDHN COc1cccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000157172353 525950419 /nfs/dbraw/zinc/95/04/19/525950419.db2.gz CTRPEGFNLQCSSS-JTQLQIEISA-N 0 3 250.298 0.708 20 10 CCCDHN COc1cccc(C[N@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000157172353 525950423 /nfs/dbraw/zinc/95/04/23/525950423.db2.gz CTRPEGFNLQCSSS-JTQLQIEISA-N 0 3 250.298 0.708 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)C1CC1)OCO2 ZINC000071303223 526336823 /nfs/dbraw/zinc/33/68/23/526336823.db2.gz JJBWKWNVZHSMDT-LLVKDONJSA-N 0 3 251.282 0.981 20 10 CCCDHN COc1cc(C)cc(CN2C[C@@H](O)[C@@H](O)C2)c1O ZINC000894033191 617175485 /nfs/dbraw/zinc/17/54/85/617175485.db2.gz CYNMZACURCDHKG-PHIMTYICSA-N 0 3 253.298 0.247 20 10 CCCDHN COc1ccc(CN2CC[C@@H](O)[C@H](CO)C2)c(O)c1OC ZINC000894937875 617251358 /nfs/dbraw/zinc/25/13/58/617251358.db2.gz UHOKGDLOTYBKOI-NWDGAFQWSA-N 0 3 297.351 0.585 20 10 CCCDHN COc1ccc(CN[C@]2(C)CCNC2=O)c(O)c1OC ZINC000897867689 617260290 /nfs/dbraw/zinc/26/02/90/617260290.db2.gz ZAKBAIOICLKCKS-CQSZACIVSA-N 0 3 280.324 0.778 20 10 CCCDHN COc1ccc(N2CCN(C(=O)CN)CC2)c(OC)c1 ZINC000007275276 617267725 /nfs/dbraw/zinc/26/77/25/617267725.db2.gz KFFWNLOAHARYJV-UHFFFAOYSA-N 0 3 279.340 0.311 20 10 CCCDHN COc1ccc(N2CCN(C(=O)[C@@H](C)N)CC2)cc1 ZINC000019514116 617267740 /nfs/dbraw/zinc/26/77/40/617267740.db2.gz MCRWZJYQHSKUMZ-LLVKDONJSA-N 0 3 263.341 0.691 20 10 CCCDHN COc1ccc(N2CCN(C[C@H]3CNC(=O)C3)CC2)cc1 ZINC000851714728 617268002 /nfs/dbraw/zinc/26/80/02/617268002.db2.gz UUBZOCHFDFZLRN-CYBMUJFWSA-N 0 3 289.379 0.953 20 10 CCCDHN CCOc1ccc(CNCC(=O)N(C)OC)c(O)c1 ZINC000895040686 615510836 /nfs/dbraw/zinc/51/08/36/615510836.db2.gz CQWGJVQGYAXJMS-UHFFFAOYSA-N 0 3 268.313 0.900 20 10 CCCDHN CCOc1ccc(C[NH2+]CC(=O)N(C)OC)c([O-])c1 ZINC000895040686 615510838 /nfs/dbraw/zinc/51/08/38/615510838.db2.gz CQWGJVQGYAXJMS-UHFFFAOYSA-N 0 3 268.313 0.900 20 10 CCCDHN CN(C)c1ccc(/C=C\CNCCNS(C)(=O)=O)cc1 ZINC000835032655 616011470 /nfs/dbraw/zinc/01/14/70/616011470.db2.gz IBIICQHWJDGIES-PLNGDYQASA-N 0 3 297.424 0.905 20 10 CCCDHN CN(C)c1ccc(CNC(=O)COC2(C)CNC2)cc1F ZINC000844177837 616014774 /nfs/dbraw/zinc/01/47/74/616014774.db2.gz HRJVIJIZDDBYPZ-UHFFFAOYSA-N 0 3 295.358 0.886 20 10 CCCDHN CN1CCOC[C@]1(CO)C[NH2+]Cc1ccccc1[O-] ZINC000922536216 616250455 /nfs/dbraw/zinc/25/04/55/616250455.db2.gz RVSXUMDEOYUMKH-CQSZACIVSA-N 0 3 266.341 0.175 20 10 CCCDHN CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903276801 616250620 /nfs/dbraw/zinc/25/06/20/616250620.db2.gz CCRVYKACEXWHPP-CZUORRHYSA-N 0 3 292.379 0.662 20 10 CCCDHN CNC(=O)NC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650982 616695336 /nfs/dbraw/zinc/69/53/36/616695336.db2.gz BQPDVIOEFZYWCT-VIFPVBQESA-N 0 3 265.313 0.889 20 10 CCCDHN COC(=O)[C@H]1C[C@@H](O)CN(Cc2cccc(OC)c2O)C1 ZINC000843435524 616707205 /nfs/dbraw/zinc/70/72/05/616707205.db2.gz VNXBUSYBTWVGHF-NWDGAFQWSA-N 0 3 295.335 0.757 20 10 CCCDHN CNS(=O)(=O)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000866458648 617014104 /nfs/dbraw/zinc/01/41/04/617014104.db2.gz NHDAKWLQZNVBEZ-NSHDSACASA-N 0 3 284.381 0.908 20 10 CCCDHN Cn1nnnc1CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000898040773 633272785 /nfs/dbraw/zinc/27/27/85/633272785.db2.gz ZUVZCLLPEPCHRC-UHFFFAOYSA-N 0 3 265.292 0.777 20 10 CCCDHN C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000927021240 633576848 /nfs/dbraw/zinc/57/68/48/633576848.db2.gz BJZYIDWYUFNSMA-WCBMZHEXSA-N 0 3 291.344 0.587 20 10 CCCDHN C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccccc1[O-] ZINC000927031468 633579578 /nfs/dbraw/zinc/57/95/78/633579578.db2.gz OFIPSFKHQVQNTF-UWVGGRQHSA-N 0 3 273.354 0.448 20 10 CCCDHN C[C@@H](O)[C@H](O)CNCc1ccc(N(C)C)c(F)c1 ZINC000865738682 645406206 /nfs/dbraw/zinc/40/62/06/645406206.db2.gz JEHIWPDTOMGKEB-NOZJJQNGSA-N 0 3 256.321 0.723 20 10 CCCDHN C[C@]12C[N@H+](Cc3ccccc3[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877667888 646833859 /nfs/dbraw/zinc/83/38/59/646833859.db2.gz COFHAOFZRGKWNP-GASCZTMLSA-N 0 3 274.320 0.877 20 10 CCCDHN C[C@]12C[N@@H+](Cc3ccccc3[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877667888 646833862 /nfs/dbraw/zinc/83/38/62/646833862.db2.gz COFHAOFZRGKWNP-GASCZTMLSA-N 0 3 274.320 0.877 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]CCN1CC[C@H](O)C1 ZINC000877662555 646833979 /nfs/dbraw/zinc/83/39/79/646833979.db2.gz VFPZOHXQMZMOJM-LBPRGKRZSA-N 0 3 250.342 0.857 20 10 CCCDHN C[C@H](NCC(=O)N1CCNC(=O)C1)c1ccccc1O ZINC000879652588 647090324 /nfs/dbraw/zinc/09/03/24/647090324.db2.gz GCGCGGJRYNENAS-JTQLQIEISA-N 0 3 277.324 0.001 20 10 CCCDHN C[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccccc1[O-] ZINC000879652588 647090328 /nfs/dbraw/zinc/09/03/28/647090328.db2.gz GCGCGGJRYNENAS-JTQLQIEISA-N 0 3 277.324 0.001 20 10 CCCDHN COc1cc(CN2CC[C@@H](CO)[C@@H](O)C2)c(O)cc1O ZINC001231634319 805821908 /nfs/dbraw/zinc/82/19/08/805821908.db2.gz LEOBKWXHOPKGEH-ZANVPECISA-N 0 3 283.324 0.282 20 10 CCCDHN CN(C)C[C@@H]1COCCN1C(=O)Cc1ccc(N)cc1 ZINC001160838426 802027167 /nfs/dbraw/zinc/02/71/67/802027167.db2.gz ISLSXWKJFJKPTP-CQSZACIVSA-N 0 3 277.368 0.600 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001203629018 803039041 /nfs/dbraw/zinc/03/90/41/803039041.db2.gz OCGKBBZRICKNPR-GWCFXTLKSA-N 0 3 276.336 0.969 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])c1 ZINC001203629018 803039048 /nfs/dbraw/zinc/03/90/48/803039048.db2.gz OCGKBBZRICKNPR-GWCFXTLKSA-N 0 3 276.336 0.969 20 10 CCCDHN CNC(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277846 803075948 /nfs/dbraw/zinc/07/59/48/803075948.db2.gz MDAJJNOJJRPGFI-UHFFFAOYSA-N 0 3 279.340 0.991 20 10 CCCDHN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])CN1 ZINC001246315631 807219453 /nfs/dbraw/zinc/21/94/53/807219453.db2.gz JODPFOGUOXIRHD-MNOVXSKESA-N 0 3 280.324 0.481 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2)CN1 ZINC001246346546 807228900 /nfs/dbraw/zinc/22/89/00/807228900.db2.gz NNGNQXOMNUPBBY-OLZOCXBDSA-N 0 3 278.352 0.997 20 10 CCCDHN CN1CCC[C@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000704377153 819376855 /nfs/dbraw/zinc/37/68/55/819376855.db2.gz MYTORZYWFOVKQM-JTQLQIEISA-N 0 3 278.308 0.831 20 10 CCCDHN C[C@@H](C(=O)NCCc1cc(O)c(O)cc1O)N1CCCC1 ZINC001180583079 843217493 /nfs/dbraw/zinc/21/74/93/843217493.db2.gz VJEWPOMCTJRFJQ-JTQLQIEISA-N 0 3 294.351 0.946 20 10 CCCDHN COc1cc(C)c(C[NH2+]C[C@@H](O)Cn2ccnn2)c([O-])c1 ZINC001182239073 843758074 /nfs/dbraw/zinc/75/80/74/843758074.db2.gz TYZMDXQRUBYUPH-LLVKDONJSA-N 0 3 292.339 0.451 20 10 CCCDHN Nc1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC001335677607 920363458 /nfs/dbraw/zinc/36/34/58/920363458.db2.gz JOBOMCGSTHVCBQ-LBPRGKRZSA-N 0 3 264.329 0.056 20 10 CCCDHN COCCN1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001357667329 926581328 /nfs/dbraw/zinc/58/13/28/926581328.db2.gz CYUSVQBXHHUIML-AWEZNQCLSA-N 0 3 292.383 0.789 20 10 CCCDHN CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccccc1[O-] ZINC000295131890 199361710 /nfs/dbraw/zinc/36/17/10/199361710.db2.gz YEAQEYDFIZBPKN-LLVKDONJSA-N 0 3 272.370 0.810 20 10 CCCDHN COc1cc(O)c(CN2C[C@H](O)C[C@H]2CO)cc1OC ZINC000364322813 357108913 /nfs/dbraw/zinc/10/89/13/357108913.db2.gz HALBRMOZXVWXFY-WDEREUQCSA-N 0 3 283.324 0.337 20 10 CCCDHN CN(C)c1ccc(CN(C)CC(=O)N2CCNCC2)cc1 ZINC000038030982 174023587 /nfs/dbraw/zinc/02/35/87/174023587.db2.gz XNABTZNWNBLQQC-UHFFFAOYSA-N 0 3 290.411 0.616 20 10 CCCDHN OC[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000370398450 267316240 /nfs/dbraw/zinc/31/62/40/267316240.db2.gz QAMMVJZHKOBJPU-JKSUJKDBSA-N 0 3 292.379 0.451 20 10 CCCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000093899580 327146156 /nfs/dbraw/zinc/14/61/56/327146156.db2.gz ZVPQMFOAHWEKNR-SECBINFHSA-N 0 3 280.324 0.935 20 10 CCCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000093899580 327146157 /nfs/dbraw/zinc/14/61/57/327146157.db2.gz ZVPQMFOAHWEKNR-SECBINFHSA-N 0 3 280.324 0.935 20 10 CCCDHN CCN(CC)c1ccc(CNC(CO)CO)cc1 ZINC000087749329 520905976 /nfs/dbraw/zinc/90/59/76/520905976.db2.gz GLDZSWSVHBORGS-UHFFFAOYSA-N 0 3 252.358 0.976 20 10 CCCDHN CCOc1cccc(CN(C)[C@@H]2COC[C@H]2O)c1O ZINC000289614844 521333412 /nfs/dbraw/zinc/33/34/12/521333412.db2.gz LIIGBDSUUBOACF-VXGBXAGGSA-N 0 3 267.325 0.982 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1)OCO2 ZINC000280243156 527579591 /nfs/dbraw/zinc/57/95/91/527579591.db2.gz IGYFSNOWBVVGQV-ZYHUDNBSSA-N 0 3 295.335 0.856 20 10 CCCDHN CNS(=O)(=O)CCNCc1c(O)cccc1OC ZINC000783998561 581370445 /nfs/dbraw/zinc/37/04/45/581370445.db2.gz BPJMWBNCDYJTQS-UHFFFAOYSA-N 0 3 274.342 0.040 20 10 CCCDHN COc1cccc(O)c1CN(C)CC(C)(CO)CO ZINC000769449108 581689481 /nfs/dbraw/zinc/68/94/81/581689481.db2.gz XZLXJXJWZNYEDK-UHFFFAOYSA-N 0 3 269.341 0.824 20 10 CCCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768443583 582106649 /nfs/dbraw/zinc/10/66/49/582106649.db2.gz SXESTAHFVRSQKT-RNCFNFMXSA-N 0 3 293.319 0.813 20 10 CCCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768443583 582106650 /nfs/dbraw/zinc/10/66/50/582106650.db2.gz SXESTAHFVRSQKT-RNCFNFMXSA-N 0 3 293.319 0.813 20 10 CCCDHN O=C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CCN1 ZINC000768447616 582106831 /nfs/dbraw/zinc/10/68/31/582106831.db2.gz AEJSHNZSFMIYHY-LBPRGKRZSA-N 0 3 278.308 0.140 20 10 CCCDHN COc1ccc(N2CCN(C[C@H]3CNCCO3)CC2)cc1 ZINC000043801912 617267992 /nfs/dbraw/zinc/26/79/92/617267992.db2.gz MNLDUIWNYIVIRV-MRXNPFEDSA-N 0 3 291.395 0.806 20 10 CCCDHN C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000842251723 615914233 /nfs/dbraw/zinc/91/42/33/615914233.db2.gz XYDYZNRGDGKDNI-AWEZNQCLSA-N 0 3 282.340 0.530 20 10 CCCDHN CN(CC[NH2+][C@H]1CCc2cccc([O-])c21)CCOCCO ZINC000883352181 616097614 /nfs/dbraw/zinc/09/76/14/616097614.db2.gz VZCKECOOUDEFKQ-AWEZNQCLSA-N 0 3 294.395 0.910 20 10 CCCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1COCCO1 ZINC000853557843 616165025 /nfs/dbraw/zinc/16/50/25/616165025.db2.gz OXJIJIDZACRBKR-FZMZJTMJSA-N 0 3 295.335 0.665 20 10 CCCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1COCCO1 ZINC000853557843 616165026 /nfs/dbraw/zinc/16/50/26/616165026.db2.gz OXJIJIDZACRBKR-FZMZJTMJSA-N 0 3 295.335 0.665 20 10 CCCDHN COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc(OC)ccc2O)C1 ZINC000843434718 616477657 /nfs/dbraw/zinc/47/76/57/616477657.db2.gz MUEPYKNPTJPSFD-NEPJUHHUSA-N 0 3 295.335 0.757 20 10 CCCDHN COC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650900 616539058 /nfs/dbraw/zinc/53/90/58/616539058.db2.gz VZDQZLYIZUSVAB-ZANVPECISA-N 0 3 253.298 0.967 20 10 CCCDHN CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653984 616710149 /nfs/dbraw/zinc/71/01/49/616710149.db2.gz ZTTVXNIEPJNAJX-IUCAKERBSA-N 0 3 265.313 0.887 20 10 CCCDHN COCCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650501 616966057 /nfs/dbraw/zinc/96/60/57/616966057.db2.gz FAIPRAHGOMCMDN-STQMWFEESA-N 0 3 282.384 0.982 20 10 CCCDHN C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccccc1[O-] ZINC000903279103 634549465 /nfs/dbraw/zinc/54/94/65/634549465.db2.gz ILKOIXJSVAKBTF-IUODEOHRSA-N 0 3 280.368 0.736 20 10 CCCDHN Cc1ccc(C(=O)NCCN(C)CCO)c(O)c1O ZINC000924997419 631703766 /nfs/dbraw/zinc/70/37/66/631703766.db2.gz HFEXXONQHMDSOX-UHFFFAOYSA-N 0 3 268.313 0.060 20 10 CCCDHN C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000895327147 632054167 /nfs/dbraw/zinc/05/41/67/632054167.db2.gz ANBORKZZKVQHKZ-AAEUAGOBSA-N 0 3 255.289 0.849 20 10 CCCDHN C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000895327147 632054170 /nfs/dbraw/zinc/05/41/70/632054170.db2.gz ANBORKZZKVQHKZ-AAEUAGOBSA-N 0 3 255.289 0.849 20 10 CCCDHN O=C(c1cccc(O)c1O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861715886 644915986 /nfs/dbraw/zinc/91/59/86/644915986.db2.gz RAUCNGAOIPEVKQ-MNOVXSKESA-N 0 3 292.335 0.379 20 10 CCCDHN COc1cc(O)c(CN(C)[C@]2(CO)CCOC2)cc1OC ZINC000862426558 644999116 /nfs/dbraw/zinc/99/91/16/644999116.db2.gz JRGTXCIPYVABRG-HNNXBMFYSA-N 0 3 297.351 0.993 20 10 CCCDHN C[C@]12C[NH+](Cc3ccccc3[O-])C[C@]1(C)C(=O)NC2=O ZINC000877667890 646833329 /nfs/dbraw/zinc/83/33/29/646833329.db2.gz COFHAOFZRGKWNP-HUUCEWRRSA-N 0 3 274.320 0.877 20 10 CCCDHN O=C1NCCN1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000886745301 648007416 /nfs/dbraw/zinc/00/74/16/648007416.db2.gz SWGRNXPASUQACD-NSHDSACASA-N 0 3 261.325 0.994 20 10 CCCDHN C[C@H]([NH2+]C[C@H](O)C[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000931558638 649005475 /nfs/dbraw/zinc/00/54/75/649005475.db2.gz WBFQRLWCUIINFK-YWPYICTPSA-N 0 3 281.352 0.945 20 10 CCCDHN COc1ccc(N2CCN(C(=O)C3(N)CC3)CC2)cc1 ZINC000088129680 649636407 /nfs/dbraw/zinc/63/64/07/649636407.db2.gz OPVKMWLJAMCAED-UHFFFAOYSA-N 0 3 275.352 0.835 20 10 CCCDHN COc1cc(CN2CC(N(C)C)C2)c(O)cc1O ZINC001231634202 805822497 /nfs/dbraw/zinc/82/24/97/805822497.db2.gz JHUXHFRFSFGPFZ-UHFFFAOYSA-N 0 3 252.314 0.852 20 10 CCCDHN COc1cc(O)c(CN2C[C@H](O)[C@H](CO)C2)cc1OC ZINC001236749548 806607761 /nfs/dbraw/zinc/60/77/61/806607761.db2.gz JVESOFJIKISQGT-JQWIXIFHSA-N 0 3 283.324 0.194 20 10 CCCDHN CNC(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161327 799986847 /nfs/dbraw/zinc/98/68/47/799986847.db2.gz FAYINORASDXQOK-UHFFFAOYSA-N 0 3 279.340 0.991 20 10 CCCDHN CN1CCO[C@H]2CN(Cc3ccc(O)cc3O)C[C@H]21 ZINC001204273330 803075409 /nfs/dbraw/zinc/07/54/09/803075409.db2.gz OKPATWMCRKQETD-OCCSQVGLSA-N 0 3 264.325 0.613 20 10 CCCDHN COc1cc(CN2CCN3CC[C@@H]3C2)cc(O)c1O ZINC001204350476 803080561 /nfs/dbraw/zinc/08/05/61/803080561.db2.gz HSIWGYSYFUCSNQ-LLVKDONJSA-N 0 3 264.325 0.996 20 10 CCCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CN1CCOCC1 ZINC001251022105 807643631 /nfs/dbraw/zinc/64/36/31/807643631.db2.gz WMHZNODTKHFEGY-OAHLLOKOSA-N 0 3 294.395 0.907 20 10 CCCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CN1CCOCC1 ZINC001251022105 807643633 /nfs/dbraw/zinc/64/36/33/807643633.db2.gz WMHZNODTKHFEGY-OAHLLOKOSA-N 0 3 294.395 0.907 20 10 CCCDHN COC(=O)[C@H](O)CNCc1ccc(N(C)C)cc1 ZINC001252442055 807858366 /nfs/dbraw/zinc/85/83/66/807858366.db2.gz PSQMKMJRADEOPX-GFCCVEGCSA-N 0 3 252.314 0.376 20 10 CCCDHN Nc1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC001262487772 809318506 /nfs/dbraw/zinc/31/85/06/809318506.db2.gz DZOPAELBISWVGM-CQSZACIVSA-N 0 3 274.324 0.443 20 10 CCCDHN CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000708288313 819770132 /nfs/dbraw/zinc/77/01/32/819770132.db2.gz CATPHVABTZLQEA-UHFFFAOYSA-N 0 3 290.360 0.949 20 10 CCCDHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@@H]21 ZINC001148588124 840854286 /nfs/dbraw/zinc/85/42/86/840854286.db2.gz OXUDYFUETULUIP-KOLCDFICSA-N 0 3 292.335 0.970 20 10 CCCDHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@@H]21 ZINC001148588124 840854297 /nfs/dbraw/zinc/85/42/97/840854297.db2.gz OXUDYFUETULUIP-KOLCDFICSA-N 0 3 292.335 0.970 20 10 CCCDHN COC(=O)[C@H](O)CN(C)Cc1ccc(N(C)C)cc1 ZINC001252423002 847946891 /nfs/dbraw/zinc/94/68/91/847946891.db2.gz LMYSUUOXXIKGBM-CYBMUJFWSA-N 0 3 266.341 0.718 20 10 CCCDHN COC(=O)[C@H](O)CNCc1ccc(N2CCCC2)cc1 ZINC001252437727 847960460 /nfs/dbraw/zinc/96/04/60/847960460.db2.gz XFISSCZMMMLPJO-CQSZACIVSA-N 0 3 278.352 0.910 20 10 CCCDHN COc1cccc(CNC[C@@H](C)S(C)(=O)=O)c1O ZINC000697579584 855620870 /nfs/dbraw/zinc/62/08/70/855620870.db2.gz MNDAEJFUCUKAHI-SECBINFHSA-N 0 3 273.354 0.924 20 10 CCCDHN [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001342614205 923026580 /nfs/dbraw/zinc/02/65/80/923026580.db2.gz SRSCHZQGDSPFTL-UFBFGSQYSA-N 0 3 268.288 0.511 20 10 CCCDHN COCc1n[nH]c(CNCc2cccc(OC)c2O)n1 ZINC001347357357 924430227 /nfs/dbraw/zinc/43/02/27/924430227.db2.gz QSYSHRQXCQUNCA-UHFFFAOYSA-N 0 3 278.312 0.955 20 10 CCCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](O)COC)c1 ZINC000117946166 349893759 /nfs/dbraw/zinc/89/37/59/349893759.db2.gz JEBSDGMOYTXFPG-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]CCCS(C)(=O)=O)c1 ZINC000038047375 174056677 /nfs/dbraw/zinc/05/66/77/174056677.db2.gz QEVURNWQVPNPPY-UHFFFAOYSA-N 0 3 273.354 0.925 20 10 CCCDHN CC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccccc1[O-] ZINC000183312428 327818820 /nfs/dbraw/zinc/81/88/20/327818820.db2.gz ZRVGWXACDKAZBL-NSHDSACASA-N 0 3 277.324 0.985 20 10 CCCDHN CCOc1ccc(O)c(CN[C@@H](CO)COC)c1 ZINC000279644863 521155838 /nfs/dbraw/zinc/15/58/38/521155838.db2.gz DHZNBGMFGRHSDQ-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN COC[C@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000279780146 522685105 /nfs/dbraw/zinc/68/51/05/522685105.db2.gz LHGIKRRPUAGHFI-NSHDSACASA-N 0 3 256.321 0.989 20 10 CCCDHN COc1ccc(O)c(CN[C@H](C)CS(C)(=O)=O)c1 ZINC000081901513 524754520 /nfs/dbraw/zinc/75/45/20/524754520.db2.gz ZATHJCCIBOJBGE-SECBINFHSA-N 0 3 273.354 0.924 20 10 CCCDHN CO[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1OC ZINC000792713631 581268909 /nfs/dbraw/zinc/26/89/09/581268909.db2.gz MVACLQNZTRORKX-AEGPPILISA-N 0 3 295.335 0.664 20 10 CCCDHN CCOc1ccc(C[NH2+][C@@H](CO)COC)c([O-])c1 ZINC000793325782 581290030 /nfs/dbraw/zinc/29/00/30/581290030.db2.gz UUVPPDGGLUCFOC-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN O=S1(=O)CC(CC[NH2+]Cc2ccccc2[O-])C1 ZINC000786825620 581450106 /nfs/dbraw/zinc/45/01/06/581450106.db2.gz XGZZFMFHYPIJJD-UHFFFAOYSA-N 0 3 255.339 0.917 20 10 CCCDHN COc1ccc(CN[C@H]2CCCNC2=O)c(O)c1OC ZINC000892754850 617260124 /nfs/dbraw/zinc/26/01/24/617260124.db2.gz FESUBXOZMSMEBU-JTQLQIEISA-N 0 3 280.324 0.778 20 10 CCCDHN COc1ccc(N2CCN(C(=O)[C@H](C)N)CC2)cc1 ZINC000011805350 617267635 /nfs/dbraw/zinc/26/76/35/617267635.db2.gz MCRWZJYQHSKUMZ-NSHDSACASA-N 0 3 263.341 0.691 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C2CNC2)c1 ZINC000923615148 617273928 /nfs/dbraw/zinc/27/39/28/617273928.db2.gz JTPBTLALJUCJPM-MRVPVSSYSA-N 0 3 286.353 0.353 20 10 CCCDHN COc1cccc(CN[C@@]2(C)CCNC2=O)c1O ZINC000897871983 617300332 /nfs/dbraw/zinc/30/03/32/617300332.db2.gz QBAHSDWAWQWNHR-ZDUSSCGKSA-N 0 3 250.298 0.769 20 10 CCCDHN COc1cccc([O-])c1C[NH+]1CCC(CO)(CO)CC1 ZINC000877797906 617305194 /nfs/dbraw/zinc/30/51/94/617305194.db2.gz QLMNPXMLOVIQGZ-UHFFFAOYSA-N 0 3 281.352 0.968 20 10 CCCDHN CN(C)C[C@@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000854465055 615923840 /nfs/dbraw/zinc/92/38/40/615923840.db2.gz NZHSPRFJUVPWRA-MALLOTDXSA-N 0 3 280.324 0.150 20 10 CCCDHN CN(C)C[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876728416 615942622 /nfs/dbraw/zinc/94/26/22/615942622.db2.gz LQLFDNCJGVESOZ-HNNXBMFYSA-N 0 3 290.411 0.792 20 10 CCCDHN CN(C)c1ccc(CN2CCN(C)C[C@@H]2CO)cc1 ZINC000877643585 616245099 /nfs/dbraw/zinc/24/50/99/616245099.db2.gz GVQXLXFVXYXYRB-OAHLLOKOSA-N 0 3 263.385 0.861 20 10 CCCDHN COC(=O)CNC(=O)CNCc1cc(C)cc(OC)c1O ZINC000895452514 616597562 /nfs/dbraw/zinc/59/75/62/616597562.db2.gz XVTNOJURQRDQHK-UHFFFAOYSA-N 0 3 296.323 0.088 20 10 CCCDHN COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648161 616601945 /nfs/dbraw/zinc/60/19/45/616601945.db2.gz AOOQIGWXBHRYDF-NXEZZACHSA-N 0 3 280.324 0.721 20 10 CCCDHN COCCNCC(=O)NCCc1ccc(N)cc1 ZINC000237186131 631927824 /nfs/dbraw/zinc/92/78/24/631927824.db2.gz HLLCIBGMYCMPFT-UHFFFAOYSA-N 0 3 251.330 0.164 20 10 CCCDHN CNC(=O)CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000046502307 636990701 /nfs/dbraw/zinc/99/07/01/636990701.db2.gz HBUMNUDEECTYRD-UHFFFAOYSA-N 0 3 277.368 0.953 20 10 CCCDHN C[C@@H]1NC(=O)N(CC[N@H+](C)Cc2ccccc2[O-])C1=O ZINC000838895213 640278031 /nfs/dbraw/zinc/27/80/31/640278031.db2.gz LTMZJRCYOCMCLN-JTQLQIEISA-N 0 3 277.324 0.764 20 10 CCCDHN C[C@@H]1NC(=O)N(CC[N@@H+](C)Cc2ccccc2[O-])C1=O ZINC000838895213 640278042 /nfs/dbraw/zinc/27/80/42/640278042.db2.gz LTMZJRCYOCMCLN-JTQLQIEISA-N 0 3 277.324 0.764 20 10 CCCDHN C[C@H](NC(=O)C[C@H]1CNCCO1)c1ccccc1O ZINC000870988409 646073788 /nfs/dbraw/zinc/07/37/88/646073788.db2.gz OSFMEPFKFRVBJO-QWRGUYRKSA-N 0 3 264.325 0.948 20 10 CCCDHN Cc1ccc(O)c(CN2CCN(C)C[C@@H]2CO)c1 ZINC000877644140 646831615 /nfs/dbraw/zinc/83/16/15/646831615.db2.gz MMFSHFKYFYVPRZ-CYBMUJFWSA-N 0 3 250.342 0.809 20 10 CCCDHN O=C(NCCC[NH+]1CCC(O)CC1)c1cccc(O)c1[O-] ZINC000189516357 649377944 /nfs/dbraw/zinc/37/79/44/649377944.db2.gz VISYUSBUSPOOQS-UHFFFAOYSA-N 0 3 294.351 0.674 20 10 CCCDHN COc1cccc(CN2CCN(CCO)[C@H](C)C2)c1O ZINC000190236528 649437582 /nfs/dbraw/zinc/43/75/82/649437582.db2.gz PPPITMGOJCVIBR-GFCCVEGCSA-N 0 3 280.368 0.899 20 10 CCCDHN O=C1NCC[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H]12 ZINC001233016669 806008687 /nfs/dbraw/zinc/00/86/87/806008687.db2.gz JCNSTNXGOLIEIP-VHSXEESVSA-N 0 3 278.308 0.371 20 10 CCCDHN [O-]c1cc(O)c(CN2CCN[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235059559 806361599 /nfs/dbraw/zinc/36/15/99/806361599.db2.gz DHDZUTYFKCZIPD-AWEZNQCLSA-N 0 3 297.786 0.889 20 10 CCCDHN CN1CCC2(CN(Cc3cc(O)ccc3O)C2)C1=O ZINC001141163277 799986832 /nfs/dbraw/zinc/98/68/32/799986832.db2.gz YFVXWMKKJUMNKM-UHFFFAOYSA-N 0 3 262.309 0.762 20 10 CCCDHN NCCS(=O)(=O)N1CCc2cccc(O)c2C1 ZINC001239112175 806852704 /nfs/dbraw/zinc/85/27/04/806852704.db2.gz JZSFNOLFHAJXSL-UHFFFAOYSA-N 0 3 256.327 0.039 20 10 CCCDHN COCC(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204274464 803074710 /nfs/dbraw/zinc/07/47/10/803074710.db2.gz BMIZNEKDGJGYEV-UHFFFAOYSA-N 0 3 294.351 0.825 20 10 CCCDHN O=C1NCC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276252 803076994 /nfs/dbraw/zinc/07/69/94/803076994.db2.gz IJZWPJYEGNLPQY-CQSZACIVSA-N 0 3 262.309 0.810 20 10 CCCDHN O=C1NCC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276252 803077001 /nfs/dbraw/zinc/07/70/01/803077001.db2.gz IJZWPJYEGNLPQY-CQSZACIVSA-N 0 3 262.309 0.810 20 10 CCCDHN CNC(=O)N[C@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC001205291081 803132990 /nfs/dbraw/zinc/13/29/90/803132990.db2.gz FGYMBAPEVKDLII-NSHDSACASA-N 0 3 279.340 0.904 20 10 CCCDHN COc1cc(C)c(C[NH2+]CCN2CC[C@H](O)C2)c([O-])c1 ZINC001207007167 803332611 /nfs/dbraw/zinc/33/26/11/803332611.db2.gz GIOGYDFDONQIGW-LBPRGKRZSA-N 0 3 280.368 0.865 20 10 CCCDHN Nc1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1 ZINC001263304324 809505767 /nfs/dbraw/zinc/50/57/67/809505767.db2.gz YZGWQCXWRSNIMK-CYBMUJFWSA-N 0 3 263.341 0.654 20 10 CCCDHN CN1C[C@@H]2C[C@H]1CN2Cc1cc(O)c(O)cc1O ZINC001233486037 816325983 /nfs/dbraw/zinc/32/59/83/816325983.db2.gz VPXOPDKTUBUFGE-UWVGGRQHSA-N 0 3 250.298 0.692 20 10 CCCDHN CN(CCO)CCN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001301547640 907972200 /nfs/dbraw/zinc/97/22/00/907972200.db2.gz OOELOWMVMMKPRW-UHFFFAOYSA-N 0 3 282.340 0.023 20 10 CCCDHN O=C(CO[C@@H]1CCC[NH2+]C1)NCc1c([O-])cccc1F ZINC001341769410 922666095 /nfs/dbraw/zinc/66/60/95/922666095.db2.gz XVZWZJIZEZBBCZ-SNVBAGLBSA-N 0 3 282.315 0.916 20 10 CCCDHN C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc([O-])cs2)C1 ZINC001352549691 925596239 /nfs/dbraw/zinc/59/62/39/925596239.db2.gz MSXLZULHJVUYJX-LBPRGKRZSA-N 0 3 270.354 0.592 20 10 CCCDHN CN(C)C[C@@]1(O)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC001352549691 925596248 /nfs/dbraw/zinc/59/62/48/925596248.db2.gz MSXLZULHJVUYJX-LBPRGKRZSA-N 0 3 270.354 0.592 20 10 CCCDHN CN(C)CCN(C)C(=O)NCc1ccc(N)cc1 ZINC001353539917 925865738 /nfs/dbraw/zinc/86/57/38/925865738.db2.gz QNPLXPMLYCVDOA-UHFFFAOYSA-N 0 3 250.346 0.972 20 10 CCCDHN O=C(NCc1c([O-])cccc1F)C12CC(C1)C[NH2+]2 ZINC001358167442 926648802 /nfs/dbraw/zinc/64/88/02/926648802.db2.gz HCVGONNBXRQLER-UHFFFAOYSA-N 0 3 250.273 0.900 20 10 CCCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1 ZINC000093583919 349546518 /nfs/dbraw/zinc/54/65/18/349546518.db2.gz YNADWSFWEQXHJA-HNNXBMFYSA-N 0 3 294.395 0.826 20 10 CCCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1 ZINC000093583919 349546522 /nfs/dbraw/zinc/54/65/22/349546522.db2.gz YNADWSFWEQXHJA-HNNXBMFYSA-N 0 3 294.395 0.826 20 10 CCCDHN COC(=O)CNC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000111235963 349768081 /nfs/dbraw/zinc/76/80/81/349768081.db2.gz VMBMKMHKAVKNKS-UHFFFAOYSA-N 0 3 280.324 0.503 20 10 CCCDHN COC(=O)CNC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000111235963 349768083 /nfs/dbraw/zinc/76/80/83/349768083.db2.gz VMBMKMHKAVKNKS-UHFFFAOYSA-N 0 3 280.324 0.503 20 10 CCCDHN CNS(=O)(=O)CCN[C@@H](C)c1cc(C)ccc1O ZINC000187185698 351532604 /nfs/dbraw/zinc/53/26/04/351532604.db2.gz YCCYODMXWCQKIR-JTQLQIEISA-N 0 3 272.370 0.900 20 10 CCCDHN CCN(C)C(=O)CNCc1cc(OC)ccc1O ZINC000187676594 351552454 /nfs/dbraw/zinc/55/24/54/351552454.db2.gz JCPUXDWNEQNHMM-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN COc1ccc(O)c(CN2C[C@H](O)C[C@H]2CO)c1 ZINC000359974816 389187406 /nfs/dbraw/zinc/18/74/06/389187406.db2.gz PGOPAKQOELNNOE-WDEREUQCSA-N 0 3 253.298 0.328 20 10 CCCDHN CN(Cc1ccccc1O)Cc1cc(=O)n(C)c(=O)n1C ZINC000171927057 389482367 /nfs/dbraw/zinc/48/23/67/389482367.db2.gz VZKHDZDAYMZWCC-UHFFFAOYSA-N 0 3 289.335 0.422 20 10 CCCDHN COc1ccc(O)c(CNCCNS(C)(=O)=O)c1 ZINC000020203786 171068743 /nfs/dbraw/zinc/06/87/43/171068743.db2.gz RUQZANZHHRTCNL-UHFFFAOYSA-N 0 3 274.342 0.040 20 10 CCCDHN COC[C@H](CCO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000219120621 329147492 /nfs/dbraw/zinc/14/74/92/329147492.db2.gz PYWMHVAKXDHDNL-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN CN(C(=O)c1cn[n-]c1[C@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000424196204 330325143 /nfs/dbraw/zinc/32/51/43/330325143.db2.gz ZOTVEHLQFUKTCB-JTQLQIEISA-N 0 3 288.355 0.887 20 10 CCCDHN Nc1ccc(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252548450 334382488 /nfs/dbraw/zinc/38/24/88/334382488.db2.gz MOZQGUKSLOTBGT-LSDHHAIUSA-N 0 3 289.379 0.791 20 10 CCCDHN CCN1CCN(CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000262660762 521683014 /nfs/dbraw/zinc/68/30/14/521683014.db2.gz XSZJNMIILVGCCG-UHFFFAOYSA-N 0 3 290.411 0.565 20 10 CCCDHN CN1C[C@@H](NCc2cc3c(cc2O)OCO3)CC1=O ZINC000263797577 524012951 /nfs/dbraw/zinc/01/29/51/524012951.db2.gz ZLMSFRCNQGIKNT-VIFPVBQESA-N 0 3 264.281 0.441 20 10 CCCDHN C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000756491712 581668601 /nfs/dbraw/zinc/66/86/01/581668601.db2.gz XZJAVDLXZRIFRP-NSHDSACASA-N 0 3 295.358 0.956 20 10 CCCDHN CN(C)CCNC(=S)NCc1ccccc1O ZINC000748157076 581964653 /nfs/dbraw/zinc/96/46/53/581964653.db2.gz JCMUEBAEEBXDAL-UHFFFAOYSA-N 0 3 253.371 0.918 20 10 CCCDHN CNC(=O)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775370409 582021401 /nfs/dbraw/zinc/02/14/01/582021401.db2.gz MMYINAUTZPSSKS-QMMMGPOBSA-N 0 3 281.312 0.507 20 10 CCCDHN COc1ccc(CN2CC[C@H](O)C2)c(O)c1OC ZINC000891638872 617251162 /nfs/dbraw/zinc/25/11/62/617251162.db2.gz BVMDLGZMLKDHPX-JTQLQIEISA-N 0 3 253.298 0.976 20 10 CCCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)N)C2)cc1 ZINC000831752790 617268014 /nfs/dbraw/zinc/26/80/14/617268014.db2.gz DSRAUMVJMWFLTG-NWDGAFQWSA-N 0 3 277.368 0.985 20 10 CCCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)N)C2)cc1 ZINC000851640151 617268120 /nfs/dbraw/zinc/26/81/20/617268120.db2.gz RHODNJLUFIXFIL-QWRGUYRKSA-N 0 3 263.341 0.737 20 10 CCCDHN COc1cccc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000897618571 617297731 /nfs/dbraw/zinc/29/77/31/617297731.db2.gz FOBHLYSSXGQXFA-TXEJJXNPSA-N 0 3 297.376 0.877 20 10 CCCDHN COc1cccc(O)c1CN1CCN(CCO)[C@@H](C)C1 ZINC000779214830 617305147 /nfs/dbraw/zinc/30/51/47/617305147.db2.gz UZIMQKKTYVVYPP-LBPRGKRZSA-N 0 3 280.368 0.899 20 10 CCCDHN CC1(C)CNC(=O)[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000895318115 614697809 /nfs/dbraw/zinc/69/78/09/614697809.db2.gz RTEXFVHVFBKGSJ-GFCCVEGCSA-N 0 3 278.308 0.735 20 10 CCCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([O-])c1 ZINC000824892853 615510800 /nfs/dbraw/zinc/51/08/00/615510800.db2.gz CWHHHWYRRIZOBF-TXEJJXNPSA-N 0 3 290.319 0.495 20 10 CCCDHN CCOc1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([O-])c1 ZINC000824892853 615510802 /nfs/dbraw/zinc/51/08/02/615510802.db2.gz CWHHHWYRRIZOBF-TXEJJXNPSA-N 0 3 290.319 0.495 20 10 CCCDHN CCOc1ccc(C[NH2+]CC(=O)NCC(=O)OC)c([O-])c1 ZINC000877706281 615510897 /nfs/dbraw/zinc/51/08/97/615510897.db2.gz JLMYPHFJDJZJLM-UHFFFAOYSA-N 0 3 296.323 0.170 20 10 CCCDHN CCOc1ccc(CNCC(=O)NCC(=O)OC)c(O)c1 ZINC000877706281 615510898 /nfs/dbraw/zinc/51/08/98/615510898.db2.gz JLMYPHFJDJZJLM-UHFFFAOYSA-N 0 3 296.323 0.170 20 10 CCCDHN CCOc1ccc(O)c(CNCC(=O)NCC(=O)OC)c1 ZINC000877707126 615512041 /nfs/dbraw/zinc/51/20/41/615512041.db2.gz XOTPESOUYNOHAV-UHFFFAOYSA-N 0 3 296.323 0.170 20 10 CCCDHN CN(C)C[C@H](N)C(=O)NCCCSc1nccs1 ZINC000876662384 615941846 /nfs/dbraw/zinc/94/18/46/615941846.db2.gz NZXNRLAUIQVJNQ-VIFPVBQESA-N 0 3 288.442 0.630 20 10 CCCDHN CN1C(=O)[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]2C1=O ZINC000877721108 616158445 /nfs/dbraw/zinc/15/84/45/616158445.db2.gz ZUNUVJKTYZQTGI-PHIMTYICSA-N 0 3 278.283 0.578 20 10 CCCDHN CN1C(=O)[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]2C1=O ZINC000877721108 616158446 /nfs/dbraw/zinc/15/84/46/616158446.db2.gz ZUNUVJKTYZQTGI-PHIMTYICSA-N 0 3 278.283 0.578 20 10 CCCDHN CN(C)c1ccc(CN2CCN(C)C[C@H]2CO)cc1 ZINC000877643584 616244963 /nfs/dbraw/zinc/24/49/63/616244963.db2.gz GVQXLXFVXYXYRB-HNNXBMFYSA-N 0 3 263.385 0.861 20 10 CCCDHN COCCNCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000105852438 616507747 /nfs/dbraw/zinc/50/77/47/616507747.db2.gz GURZIJNSRGFSSP-UHFFFAOYSA-N 0 3 279.384 0.947 20 10 CCCDHN COC(=O)CC[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000832658902 616568276 /nfs/dbraw/zinc/56/82/76/616568276.db2.gz GWDAOZSMQLHSCX-GFCCVEGCSA-N 0 3 279.340 0.208 20 10 CCCDHN COCC[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000884232721 616632851 /nfs/dbraw/zinc/63/28/51/616632851.db2.gz YUGCVEWFLXRZHX-GFCCVEGCSA-N 0 3 293.367 0.842 20 10 CCCDHN COCCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648885 616966326 /nfs/dbraw/zinc/96/63/26/616966326.db2.gz FAIPRAHGOMCMDN-OLZOCXBDSA-N 0 3 282.384 0.982 20 10 CCCDHN COCCN(CCN(C)C)C(=O)Cc1ccc(N)cc1 ZINC000843489748 617014081 /nfs/dbraw/zinc/01/40/81/617014081.db2.gz TVPVTIBAKLOWHQ-UHFFFAOYSA-N 0 3 279.384 0.848 20 10 CCCDHN CO[C@@H](CN)C(=O)NCc1ccc(N(C)C)cc1C ZINC000884223380 617164032 /nfs/dbraw/zinc/16/40/32/617164032.db2.gz PHSSGBKWHHNEBT-ZDUSSCGKSA-N 0 3 265.357 0.651 20 10 CCCDHN O=C(NCc1c([O-])cccc1F)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000928704803 632544439 /nfs/dbraw/zinc/54/44/39/632544439.db2.gz DEVOHSNBHBRMRI-CYBMUJFWSA-N 0 3 293.342 0.537 20 10 CCCDHN O=C(NCc1c([O-])cccc1F)[C@H]1C[N@H+]2CCN1CCC2 ZINC000928704803 632544448 /nfs/dbraw/zinc/54/44/48/632544448.db2.gz DEVOHSNBHBRMRI-CYBMUJFWSA-N 0 3 293.342 0.537 20 10 CCCDHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccccc1O ZINC000827973407 642055140 /nfs/dbraw/zinc/05/51/40/642055140.db2.gz OOOAFFXWEGVMLF-JSGCOSHPSA-N 0 3 289.379 0.959 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858338399 644609354 /nfs/dbraw/zinc/60/93/54/644609354.db2.gz GZRPFFRDFGLXSY-NSHDSACASA-N 0 3 266.341 0.557 20 10 CCCDHN O=C(/C=C/c1ccc(O)c(O)c1)NCCN1CC[C@H](O)C1 ZINC000863832859 645133182 /nfs/dbraw/zinc/13/31/82/645133182.db2.gz HDQQBBRFZJLLJD-KMOQFTEPSA-N 0 3 292.335 0.294 20 10 CCCDHN Cc1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c([O-])c1 ZINC000877439293 646815545 /nfs/dbraw/zinc/81/55/45/646815545.db2.gz BYEYMIAQLUZKRW-UHFFFAOYSA-N 0 3 284.381 0.682 20 10 CCCDHN C[C@@H]([NH2+]CCN(C)CCOCCO)c1ccccc1[O-] ZINC000883350655 647515796 /nfs/dbraw/zinc/51/57/96/647515796.db2.gz LWABPSYDLGXAKF-CYBMUJFWSA-N 0 3 282.384 0.984 20 10 CCCDHN NC(=O)C1=NO[C@@H]2CN(Cc3ccccc3O)C[C@H]12 ZINC001277442253 805580214 /nfs/dbraw/zinc/58/02/14/805580214.db2.gz VFJOSVPWBJABFS-GXSJLCMTSA-N 0 3 261.281 0.064 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(O)c(O)c1 ZINC001236052901 806536194 /nfs/dbraw/zinc/53/61/94/806536194.db2.gz IQFHLLFZXWFGDG-JTQLQIEISA-N 0 3 266.297 0.045 20 10 CCCDHN COc1ccc(CN[C@H](CO)CNC(=O)C2CC2)cc1C ZINC001278032986 806622756 /nfs/dbraw/zinc/62/27/56/806622756.db2.gz DZBZFRPXAOHGED-AWEZNQCLSA-N 0 3 292.379 0.980 20 10 CCCDHN C[C@@]1(O)COCCN(Cc2cc(O)ccc2O)C1 ZINC001141156731 799984740 /nfs/dbraw/zinc/98/47/40/799984740.db2.gz SFTUDRVHHVVVKI-ZDUSSCGKSA-N 0 3 253.298 0.681 20 10 CCCDHN C[C@@]1(CO)CC[N@H+](Cc2ccc(O)cc2[O-])C[C@H]1O ZINC001204276950 803076693 /nfs/dbraw/zinc/07/66/93/803076693.db2.gz UQKZHWZCXHBOKP-KGLIPLIRSA-N 0 3 267.325 0.663 20 10 CCCDHN C[C@@]1(CO)CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@H]1O ZINC001204276950 803076698 /nfs/dbraw/zinc/07/66/98/803076698.db2.gz UQKZHWZCXHBOKP-KGLIPLIRSA-N 0 3 267.325 0.663 20 10 CCCDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H]1O ZINC001206463714 803246479 /nfs/dbraw/zinc/24/64/79/803246479.db2.gz CMEFOIYHDZTDLO-JOYOIKCWSA-N 0 3 256.733 0.797 20 10 CCCDHN CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000400265503 803766670 /nfs/dbraw/zinc/76/66/70/803766670.db2.gz VQJGOGWEEAQRTO-NSHDSACASA-N 0 3 270.354 0.516 20 10 CCCDHN O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1C[C@@H](F)CCN1 ZINC001220116108 804504644 /nfs/dbraw/zinc/50/46/44/804504644.db2.gz YHIMIJKEOIPOEA-UWVGGRQHSA-N 0 3 298.314 0.552 20 10 CCCDHN Cc1ccc(C)c(CN2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c1O ZINC001278354047 807019924 /nfs/dbraw/zinc/01/99/24/807019924.db2.gz CVLLSNRPOSXSBE-NWDGAFQWSA-N 0 3 289.335 0.681 20 10 CCCDHN C[C@H](CC(=O)N1CCOCC1)[NH2+]Cc1cccc(O)c1[O-] ZINC001256330336 808497650 /nfs/dbraw/zinc/49/76/50/808497650.db2.gz NOBXZMTYHBTSTR-LLVKDONJSA-N 0 3 294.351 0.825 20 10 CCCDHN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C1CNC1 ZINC000722238262 812004903 /nfs/dbraw/zinc/00/49/03/812004903.db2.gz UWPBVAKHBPSHSH-UHFFFAOYSA-N 0 3 297.424 0.876 20 10 CCCDHN CN1CCC[C@@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000704377154 819378026 /nfs/dbraw/zinc/37/80/26/819378026.db2.gz MYTORZYWFOVKQM-SNVBAGLBSA-N 0 3 278.308 0.831 20 10 CCCDHN CCOC(=O)CN(CC[NH3+])C(=O)c1cccc(O)c1[O-] ZINC001148224843 840766910 /nfs/dbraw/zinc/76/69/10/840766910.db2.gz WQEWDJBHJOWERA-UHFFFAOYSA-N 0 3 282.296 0.062 20 10 CCCDHN CO[C@]1(C[NH2+]Cc2ccccc2[O-])CCS(=O)(=O)C1 ZINC000721185921 849617805 /nfs/dbraw/zinc/61/78/05/849617805.db2.gz JGRZZMTVYAHJII-ZDUSSCGKSA-N 0 3 285.365 0.686 20 10 CCCDHN CCNS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000389348888 853993131 /nfs/dbraw/zinc/99/31/31/853993131.db2.gz YLRGKEMPWXNSMY-LLVKDONJSA-N 0 3 284.381 0.908 20 10 CCCDHN Nc1ccc(CN2CCC(S(N)(=O)=O)CC2)cc1 ZINC001337837851 921297878 /nfs/dbraw/zinc/29/78/78/921297878.db2.gz HFTKVUXICHARLG-UHFFFAOYSA-N 0 3 269.370 0.522 20 10 CCCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(N)=O ZINC001321296835 911211810 /nfs/dbraw/zinc/21/18/10/911211810.db2.gz UEXRGEWOZMHSSO-LLVKDONJSA-N 0 3 294.374 0.541 20 10 CCCDHN CC(C)(O)[C@H](N)C(=O)NCc1c(O)cccc1F ZINC001344822495 923697556 /nfs/dbraw/zinc/69/75/56/923697556.db2.gz RMVXUUANYPOFFM-SNVBAGLBSA-N 0 3 256.277 0.246 20 10 CCCDHN C[C@H](NCC1C[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001593257430 994529208 /nfs/dbraw/zinc/52/92/08/994529208.db2.gz NNJGAYUPCXCBOP-QMMMGPOBSA-N 0 3 250.298 0.960 20 10 CCCDHN O=C(CCNCc1ccc2c(c1)CCO2)N1CCOCC1 ZINC000159486182 350679305 /nfs/dbraw/zinc/67/93/05/350679305.db2.gz NEOSHLBFGHHUGR-UHFFFAOYSA-N 0 3 290.363 0.960 20 10 CCCDHN COc1cccc(CN[C@@H]2CC(=O)N(C)C2)c1O ZINC000263792692 352594431 /nfs/dbraw/zinc/59/44/31/352594431.db2.gz YMGQLHKCFRCCSB-SNVBAGLBSA-N 0 3 250.298 0.721 20 10 CCCDHN COC(=O)c1cn(CC[NH2+]Cc2cc(C)ccc2[O-])nn1 ZINC000283872897 353534939 /nfs/dbraw/zinc/53/49/39/353534939.db2.gz GRVKLJAJBJNDSK-UHFFFAOYSA-N 0 3 290.323 0.869 20 10 CCCDHN C[C@H]1CS(=O)(=O)C[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000288457474 353686469 /nfs/dbraw/zinc/68/64/69/353686469.db2.gz DJJQTZWWULLVQU-WCBMZHEXSA-N 0 3 299.348 0.644 20 10 CCCDHN CNS(=O)(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296305845 353940896 /nfs/dbraw/zinc/94/08/96/353940896.db2.gz DVDWLYPFFYJMRN-JTQLQIEISA-N 0 3 270.354 0.518 20 10 CCCDHN CCOc1cccc(C[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530181011 285558485 /nfs/dbraw/zinc/55/84/85/285558485.db2.gz ISJZGIBSAHFCAO-GFCCVEGCSA-N 0 3 266.341 0.869 20 10 CCCDHN COC[C@@H](O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000231608283 333326088 /nfs/dbraw/zinc/32/60/88/333326088.db2.gz YEWZXZGUTCVNCI-JTQLQIEISA-N 0 3 269.297 0.608 20 10 CCCDHN COC[C@@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000279780144 522303599 /nfs/dbraw/zinc/30/35/99/522303599.db2.gz LHGIKRRPUAGHFI-LLVKDONJSA-N 0 3 256.321 0.989 20 10 CCCDHN COCCN1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000265612550 523866924 /nfs/dbraw/zinc/86/69/24/523866924.db2.gz OILPQUHLWPXAGV-CYBMUJFWSA-N 0 3 293.367 0.912 20 10 CCCDHN COC(=O)c1cn(CC[NH2+]Cc2cc(F)ccc2[O-])nn1 ZINC000793612564 581304816 /nfs/dbraw/zinc/30/48/16/581304816.db2.gz UXDKGURDWSXYFG-UHFFFAOYSA-N 0 3 294.286 0.699 20 10 CCCDHN COc1ccc(CNC(=O)C(C)S(C)(=O)=O)c(O)c1 ZINC000794377554 581366453 /nfs/dbraw/zinc/36/64/53/581366453.db2.gz PRAWMBLMHMHOBO-QMMMGPOBSA-N 0 3 287.337 0.450 20 10 CCCDHN COC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccccc1[O-] ZINC000788020731 581370383 /nfs/dbraw/zinc/37/03/83/581370383.db2.gz SRFTXQWMQYZXBZ-ZDUSSCGKSA-N 0 3 253.298 0.748 20 10 CCCDHN COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000788020731 581370385 /nfs/dbraw/zinc/37/03/85/581370385.db2.gz SRFTXQWMQYZXBZ-ZDUSSCGKSA-N 0 3 253.298 0.748 20 10 CCCDHN Cc1cccc(CN2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000785986745 581426406 /nfs/dbraw/zinc/42/64/06/581426406.db2.gz XEXOQDNVZLUBGF-NSHDSACASA-N 0 3 270.354 0.563 20 10 CCCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2nnnn2C)c1 ZINC000756678796 581933508 /nfs/dbraw/zinc/93/35/08/581933508.db2.gz YHYKFBFJGVTIOS-VIFPVBQESA-N 0 3 277.328 0.818 20 10 CCCDHN COc1c([O-])c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000774914215 582002478 /nfs/dbraw/zinc/00/24/78/582002478.db2.gz MICGFSKGMLMKOG-GHMZBOCLSA-N 0 3 293.323 0.960 20 10 CCCDHN CNC(=O)CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462436 582107171 /nfs/dbraw/zinc/10/71/71/582107171.db2.gz LJZHSALKHNZGTL-ZDUSSCGKSA-N 0 3 294.351 0.776 20 10 CCCDHN CNC(=O)CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462436 582107172 /nfs/dbraw/zinc/10/71/72/582107172.db2.gz LJZHSALKHNZGTL-ZDUSSCGKSA-N 0 3 294.351 0.776 20 10 CCCDHN CS(=O)(=O)NCCNCc1ccc2c(c1)CCCO2 ZINC000921602541 617174551 /nfs/dbraw/zinc/17/45/51/617174551.db2.gz SASWJRHZMBTZBR-UHFFFAOYSA-N 0 3 284.381 0.650 20 10 CCCDHN COc1ccc(N2CC[C@H](NC(=O)C3(N)CC3)C2)cc1 ZINC000851639358 617268269 /nfs/dbraw/zinc/26/82/69/617268269.db2.gz DNUHXAKDWCPWQE-NSHDSACASA-N 0 3 275.352 0.881 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CNCCO2)c1 ZINC000828667701 617274047 /nfs/dbraw/zinc/27/40/47/617274047.db2.gz TXEPCOQYGKKVKJ-PWSUYJOCSA-N 0 3 294.351 0.957 20 10 CCCDHN CCOc1ccc(CN2CC(C(=O)NC)C2)c(O)c1 ZINC000839144783 615510233 /nfs/dbraw/zinc/51/02/33/615510233.db2.gz VWXMCSOVGFZLSJ-UHFFFAOYSA-N 0 3 264.325 0.969 20 10 CCCDHN CC[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccccc1[O-] ZINC000927022237 615535823 /nfs/dbraw/zinc/53/58/23/615535823.db2.gz DWYFOKTXSIJLED-CMPLNLGQSA-N 0 3 287.381 0.838 20 10 CCCDHN CN(C)C(=O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877150000 615970967 /nfs/dbraw/zinc/97/09/67/615970967.db2.gz JHNRIPITGBBGQE-UHFFFAOYSA-N 0 3 291.395 0.826 20 10 CCCDHN CN(C)c1ccc(CN2C[C@H](CO)[C@H](CO)C2)cc1F ZINC000877764382 616014546 /nfs/dbraw/zinc/01/45/46/616014546.db2.gz CKZDXRXMPGRXEQ-BETUJISGSA-N 0 3 282.359 0.924 20 10 CCCDHN C[C@@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248324 624792398 /nfs/dbraw/zinc/79/23/98/624792398.db2.gz KSOIMYMIXRJZTL-BXUZGUMPSA-N 0 3 279.384 0.852 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000897060810 632385671 /nfs/dbraw/zinc/38/56/71/632385671.db2.gz IAJNRPKZQKJZJE-NSHDSACASA-N 0 3 284.381 0.811 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000897060810 632385677 /nfs/dbraw/zinc/38/56/77/632385677.db2.gz IAJNRPKZQKJZJE-NSHDSACASA-N 0 3 284.381 0.811 20 10 CCCDHN O=C(C[C@@H]1CNCCO1)NCc1ccccc1O ZINC000228422011 637057919 /nfs/dbraw/zinc/05/79/19/637057919.db2.gz DTGOOMBSDQWNJW-LLVKDONJSA-N 0 3 250.298 0.387 20 10 CCCDHN CCNS(=O)(=O)CCNCc1cccc(OC)c1O ZINC000068981216 638283633 /nfs/dbraw/zinc/28/36/33/638283633.db2.gz FITIQVOYLWSEAK-UHFFFAOYSA-N 0 3 288.369 0.430 20 10 CCCDHN C[C@H]([NH2+]CC(=O)N1CCNC1=O)c1ccccc1[O-] ZINC000879653331 647090085 /nfs/dbraw/zinc/09/00/85/647090085.db2.gz OBXJFSFZUWYXQQ-VIFPVBQESA-N 0 3 263.297 0.595 20 10 CCCDHN CCN(CCC(N)=O)Cc1cc(O)c(O)c(O)c1 ZINC001233013854 806006348 /nfs/dbraw/zinc/00/63/48/806006348.db2.gz VODOZTRAFZSKIA-UHFFFAOYSA-N 0 3 254.286 0.501 20 10 CCCDHN CN(C)C[C@@H]1CN(Cc2cc(O)c(O)cc2O)CCO1 ZINC001233483286 806059095 /nfs/dbraw/zinc/05/90/95/806059095.db2.gz UMUZHYPYQLSWLT-LLVKDONJSA-N 0 3 282.340 0.566 20 10 CCCDHN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001237124646 806640964 /nfs/dbraw/zinc/64/09/64/806640964.db2.gz PVMGFAYLWWECSO-CPCISQLKSA-N 0 3 275.707 0.970 20 10 CCCDHN [O-]c1ccc(F)c(Cl)c1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001237124646 806640967 /nfs/dbraw/zinc/64/09/67/806640967.db2.gz PVMGFAYLWWECSO-CPCISQLKSA-N 0 3 275.707 0.970 20 10 CCCDHN COc1cc(CN(C)C[C@H](O)CO)c(O)c(OC)c1 ZINC001237672711 806709108 /nfs/dbraw/zinc/70/91/08/806709108.db2.gz IOSZRFDGVGMRMF-JTQLQIEISA-N 0 3 271.313 0.194 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001140057684 799877540 /nfs/dbraw/zinc/87/75/40/799877540.db2.gz KBNWGCXMTXCYTL-TVQRCGJNSA-N 0 3 255.289 0.706 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001140057684 799877549 /nfs/dbraw/zinc/87/75/49/799877549.db2.gz KBNWGCXMTXCYTL-TVQRCGJNSA-N 0 3 255.289 0.706 20 10 CCCDHN CN1CCOc2cc(CN3CC[C@@H](CO)[C@H](O)C3)ccc21 ZINC001141140240 799983854 /nfs/dbraw/zinc/98/38/54/799983854.db2.gz JUPVAASVYKMGSH-DZGCQCFKSA-N 0 3 292.379 0.690 20 10 CCCDHN COc1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c([O-])c1 ZINC001203629864 803038707 /nfs/dbraw/zinc/03/87/07/803038707.db2.gz NBTOJCRVTJWXNH-YPMHNXCESA-N 0 3 276.336 0.921 20 10 CCCDHN COc1ccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c([O-])c1 ZINC001203629864 803038712 /nfs/dbraw/zinc/03/87/12/803038712.db2.gz NBTOJCRVTJWXNH-YPMHNXCESA-N 0 3 276.336 0.921 20 10 CCCDHN CN1CCN(C2CN(Cc3ccc(O)cc3O)C2)CC1 ZINC001204278059 803076803 /nfs/dbraw/zinc/07/68/03/803076803.db2.gz RHKKUMHXNGAHDQ-UHFFFAOYSA-N 0 3 277.368 0.529 20 10 CCCDHN C[N@@H+]1CCC2(CN(C(=O)c3cc(O)c([O-])c(O)c3)C2)C1 ZINC001270069998 813613707 /nfs/dbraw/zinc/61/37/07/813613707.db2.gz RXOIRKPOVPZPMI-UHFFFAOYSA-N 0 3 278.308 0.581 20 10 CCCDHN C[N@H+]1CCC2(CN(C(=O)c3cc(O)c([O-])c(O)c3)C2)C1 ZINC001270069998 813613711 /nfs/dbraw/zinc/61/37/11/813613711.db2.gz RXOIRKPOVPZPMI-UHFFFAOYSA-N 0 3 278.308 0.581 20 10 CCCDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N)cc1 ZINC001120371142 816038704 /nfs/dbraw/zinc/03/87/04/816038704.db2.gz SIYJFDPWJQEYGM-ZDUSSCGKSA-N 0 3 263.341 0.606 20 10 CCCDHN COC(=O)[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H]1[NH3+] ZINC001236346984 817275097 /nfs/dbraw/zinc/27/50/97/817275097.db2.gz KDESESMTJNGKER-QWRGUYRKSA-N 0 3 284.743 0.978 20 10 CCCDHN COC(=O)[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H]1[NH3+] ZINC001236346997 817276221 /nfs/dbraw/zinc/27/62/21/817276221.db2.gz KDESESMTJNGKER-WDEREUQCSA-N 0 3 284.743 0.978 20 10 CCCDHN Nc1ccc(CN(CCO)CCN2CCOCC2)cc1 ZINC001336116551 907335517 /nfs/dbraw/zinc/33/55/17/907335517.db2.gz GCRCBYUOVHHSHM-UHFFFAOYSA-N 0 3 279.384 0.395 20 10 CCCDHN COC(=O)[C@@H]1CN(Cc2ccc(N)cc2)C[C@H]1C(=O)OC ZINC001334753231 919743428 /nfs/dbraw/zinc/74/34/28/919743428.db2.gz BIWUFYGNMNIKHI-CHWSQXEVSA-N 0 3 292.335 0.663 20 10 CCCDHN [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001341766258 922660977 /nfs/dbraw/zinc/66/09/77/922660977.db2.gz NVQHYVGNKAUYKF-KOLCDFICSA-N 0 3 254.261 0.264 20 10 CCCDHN CN(C)c1ccc(CN2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000284884391 353557413 /nfs/dbraw/zinc/55/74/13/353557413.db2.gz FOBVTQOCZPKPPW-AWEZNQCLSA-N 0 3 263.341 0.175 20 10 CCCDHN CC(C(=O)NCc1ccccc1O)S(C)(=O)=O ZINC000133756674 389238760 /nfs/dbraw/zinc/23/87/60/389238760.db2.gz SWONMBPRHWEJNX-QMMMGPOBSA-N 0 3 257.311 0.442 20 10 CCCDHN COc1ccc(O)c(CN2CCCN(C(N)=O)CC2)c1 ZINC000179944283 389664575 /nfs/dbraw/zinc/66/45/75/389664575.db2.gz BDHZAMXTORAWJB-UHFFFAOYSA-N 0 3 279.340 0.987 20 10 CCCDHN Nc1ccc(CCNC(=O)[C@]2(F)CCNC2)cc1 ZINC000376694231 268008849 /nfs/dbraw/zinc/00/88/49/268008849.db2.gz GRRFKSPVDRFJSS-ZDUSSCGKSA-N 0 3 251.305 0.629 20 10 CCCDHN CNC(=O)CN1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226584470 333265581 /nfs/dbraw/zinc/26/55/81/333265581.db2.gz AMIXDLDHJVFRCE-UHFFFAOYSA-N 0 3 295.358 0.831 20 10 CCCDHN COc1ccc(O)c(CNCCS(=O)(=O)N(C)C)c1 ZINC000230988506 333323252 /nfs/dbraw/zinc/32/32/52/333323252.db2.gz HRABAPUHJLGYMJ-UHFFFAOYSA-N 0 3 288.369 0.382 20 10 CCCDHN COc1ccc(CNC(=O)C(C)S(C)(=O)=O)c(O)c1 ZINC000794377552 581366511 /nfs/dbraw/zinc/36/65/11/581366511.db2.gz PRAWMBLMHMHOBO-MRVPVSSYSA-N 0 3 287.337 0.450 20 10 CCCDHN CCOc1ccc(C[N@H+](CCO)CCCO)c([O-])c1 ZINC000769388488 581686520 /nfs/dbraw/zinc/68/65/20/581686520.db2.gz HESNCSNQYSWBFH-UHFFFAOYSA-N 0 3 269.341 0.968 20 10 CCCDHN CCOc1ccc(C[N@@H+](CCO)CCCO)c([O-])c1 ZINC000769388488 581686521 /nfs/dbraw/zinc/68/65/21/581686521.db2.gz HESNCSNQYSWBFH-UHFFFAOYSA-N 0 3 269.341 0.968 20 10 CCCDHN CN(C)C[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O ZINC000924446506 615933574 /nfs/dbraw/zinc/93/35/74/615933574.db2.gz VPXRBLISLXYTGS-ZDUSSCGKSA-N 0 3 290.367 0.735 20 10 CCCDHN CN(C)C[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876886144 615942346 /nfs/dbraw/zinc/94/23/46/615942346.db2.gz VLJZEZIIGUGQFG-AWEZNQCLSA-N 0 3 291.395 0.776 20 10 CCCDHN CN(C)c1ccc(CN2CCOC3(CNC3)C2)cc1 ZINC000853250315 616013803 /nfs/dbraw/zinc/01/38/03/616013803.db2.gz VUKHXISETYSYCT-UHFFFAOYSA-N 0 3 261.369 0.927 20 10 CCCDHN CN(C)c1ccc(CN(CCO)CCO)cc1F ZINC000862430471 616014007 /nfs/dbraw/zinc/01/40/07/616014007.db2.gz XDPFEJWUVQMPRB-UHFFFAOYSA-N 0 3 256.321 0.678 20 10 CCCDHN CN(C)c1ccc(CN[C@@H]2COC[C@@H]2O)cc1F ZINC000865666593 616016067 /nfs/dbraw/zinc/01/60/67/616016067.db2.gz KCXHYMPAVUHDEE-YPMHNXCESA-N 0 3 254.305 0.741 20 10 CCCDHN COC(=O)[C@@]1(O)CCN(Cc2c(O)cccc2OC)C1 ZINC000895709048 616560974 /nfs/dbraw/zinc/56/09/74/616560974.db2.gz YJYKIUFJOPQVDO-CQSZACIVSA-N 0 3 281.308 0.511 20 10 CCCDHN COC(=O)CC[C@H](N)C(=O)NCc1ccccc1O ZINC000828015734 616576517 /nfs/dbraw/zinc/57/65/17/616576517.db2.gz LFKIECSTPHIQJE-JTQLQIEISA-N 0 3 266.297 0.289 20 10 CCCDHN CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648752 616698477 /nfs/dbraw/zinc/69/84/77/616698477.db2.gz CFGYEKVOUFFICR-MRVPVSSYSA-N 0 3 251.286 0.498 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]CCCc1nnnn1C ZINC000898037652 633271399 /nfs/dbraw/zinc/27/13/99/633271399.db2.gz UASSTHGHHFUQDO-UHFFFAOYSA-N 0 3 261.329 0.947 20 10 CCCDHN CCNS(=O)(=O)CCNCc1cc(OC)ccc1O ZINC000224790710 636927284 /nfs/dbraw/zinc/92/72/84/636927284.db2.gz PYFKAUJIFXCBFW-UHFFFAOYSA-N 0 3 288.369 0.430 20 10 CCCDHN O=C(CNC[C@H]1CCCO1)NCc1ccccc1O ZINC000828016246 642058904 /nfs/dbraw/zinc/05/89/04/642058904.db2.gz WKUIIIFYFJEILR-GFCCVEGCSA-N 0 3 264.325 0.777 20 10 CCCDHN O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000843066073 642984441 /nfs/dbraw/zinc/98/44/41/642984441.db2.gz RZCZJRWAPYCLLB-CQSZACIVSA-N 0 3 289.379 0.788 20 10 CCCDHN O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000843066073 642984448 /nfs/dbraw/zinc/98/44/48/642984448.db2.gz RZCZJRWAPYCLLB-CQSZACIVSA-N 0 3 289.379 0.788 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(CO)OC ZINC000848560704 643652014 /nfs/dbraw/zinc/65/20/14/643652014.db2.gz QEFXGOJAEYZWEP-ZDUSSCGKSA-N 0 3 255.314 0.888 20 10 CCCDHN O=C(/C=C/c1ccc(O)c(O)c1)NCCN1CC[C@@H](O)C1 ZINC000863320079 645080322 /nfs/dbraw/zinc/08/03/22/645080322.db2.gz HDQQBBRFZJLLJD-FXMSTWTQSA-N 0 3 292.335 0.294 20 10 CCCDHN Cc1ccc(C[NH2+]C[C@]2(OCCO)CCOC2)c([O-])c1 ZINC000877624527 646829513 /nfs/dbraw/zinc/82/95/13/646829513.db2.gz POWVOVBWFVYNKW-OAHLLOKOSA-N 0 3 281.352 0.958 20 10 CCCDHN O=C1NCC[C@]12CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014915 806007120 /nfs/dbraw/zinc/00/71/20/806007120.db2.gz ZEYLXGKEAQZAOW-CQSZACIVSA-N 0 3 278.308 0.515 20 10 CCCDHN COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(F)ccc1[O-] ZINC001236200401 806552974 /nfs/dbraw/zinc/55/29/74/806552974.db2.gz RYQGOGCPJACHRZ-QWRGUYRKSA-N 0 3 268.288 0.606 20 10 CCCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236808091 806612934 /nfs/dbraw/zinc/61/29/34/806612934.db2.gz MEMWSMGLDLIXMP-RISCZKNCSA-N 0 3 281.352 0.884 20 10 CCCDHN COc1cc(C)c(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236808091 806612940 /nfs/dbraw/zinc/61/29/40/806612940.db2.gz MEMWSMGLDLIXMP-RISCZKNCSA-N 0 3 281.352 0.884 20 10 CCCDHN NC(=O)[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874439 803049595 /nfs/dbraw/zinc/04/95/95/803049595.db2.gz XZOJFRZCKNMCQT-JTQLQIEISA-N 0 3 250.298 0.795 20 10 CCCDHN CN(C)c1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000400221705 803765423 /nfs/dbraw/zinc/76/54/23/803765423.db2.gz XAYZMRQUNUNJCR-CYBMUJFWSA-N 0 3 297.424 0.876 20 10 CCCDHN COc1ccc(O)c(CNC[C@H](C)S(C)(=O)=O)c1 ZINC000697584440 815059713 /nfs/dbraw/zinc/05/97/13/815059713.db2.gz YMCYXLQFMRZCPI-VIFPVBQESA-N 0 3 273.354 0.924 20 10 CCCDHN CN1C[C@@]2(CCN(Cc3cc(O)ccc3O)C2)OCC1=O ZINC001272386862 816379358 /nfs/dbraw/zinc/37/93/58/816379358.db2.gz OQXBSZGCSOEKQJ-OAHLLOKOSA-N 0 3 292.335 0.531 20 10 CCCDHN COC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H]1[NH3+] ZINC001236346963 817274163 /nfs/dbraw/zinc/27/41/63/817274163.db2.gz KDESESMTJNGKER-GHMZBOCLSA-N 0 3 284.743 0.978 20 10 CCCDHN [NH3+][C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C[C@H]1O ZINC001205947227 847899744 /nfs/dbraw/zinc/89/97/44/847899744.db2.gz YXEZTDNXZGTLBO-ZYHUDNBSSA-N 0 3 256.733 0.940 20 10 CCCDHN COCC[C@H]([NH3+])C(=O)NCc1c([O-])cccc1F ZINC001342613240 923023934 /nfs/dbraw/zinc/02/39/34/923023934.db2.gz LXWBYRRHZMPISG-JTQLQIEISA-N 0 3 256.277 0.511 20 10 CCCDHN COc1ccc(O)c(CN[C@@H](C)C(=O)NCCF)c1 ZINC000282772458 353450974 /nfs/dbraw/zinc/45/09/74/353450974.db2.gz PRLRVMCXJRYRHP-VIFPVBQESA-N 0 3 270.304 0.965 20 10 CCCDHN CNS(=O)(=O)[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000371464005 357370208 /nfs/dbraw/zinc/37/02/08/357370208.db2.gz NHACBQROPLTMTO-LBPRGKRZSA-N 0 3 284.381 0.906 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCOCC2)c1 ZINC000182442814 261444102 /nfs/dbraw/zinc/44/41/02/261444102.db2.gz TYFCOUVZPKUOBE-LLVKDONJSA-N 0 3 294.351 0.910 20 10 CCCDHN CN(C)c1ccc(CNC(=O)COC2(C)CNC2)cc1 ZINC000098061572 649855140 /nfs/dbraw/zinc/85/51/40/649855140.db2.gz VJZSAHVICCCPOC-UHFFFAOYSA-N 0 3 277.368 0.747 20 10 CCCDHN COc1cccc(C[NH2+]C[C@]2(O)CCOC2)c1[O-] ZINC000179021669 327798145 /nfs/dbraw/zinc/79/81/45/327798145.db2.gz HDLIMFQOUBGTHL-CYBMUJFWSA-N 0 3 253.298 0.642 20 10 CCCDHN COCCN(C)CCNC(=O)NCc1ccccc1O ZINC000263777673 523592284 /nfs/dbraw/zinc/59/22/84/523592284.db2.gz OMXGAUHIJGMBCN-UHFFFAOYSA-N 0 3 281.356 0.770 20 10 CCCDHN CN1CCN(C)[C@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000068801078 523889674 /nfs/dbraw/zinc/88/96/74/523889674.db2.gz IJYHSDQHFGPGGJ-OAHLLOKOSA-N 0 3 275.396 0.957 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]CCC2CS(=O)(=O)C2)c1 ZINC000787417696 581469849 /nfs/dbraw/zinc/46/98/49/581469849.db2.gz NTJBUNIJLXLETP-UHFFFAOYSA-N 0 3 285.365 0.925 20 10 CCCDHN CCNC(=O)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775371507 582021004 /nfs/dbraw/zinc/02/10/04/582021004.db2.gz ZCCXVBLTYCDWSK-VIFPVBQESA-N 0 3 295.339 0.897 20 10 CCCDHN COc1ccc(CN2CC[C@@H](O)[C@@H](CO)C2)c(O)c1OC ZINC000894937877 617250699 /nfs/dbraw/zinc/25/06/99/617250699.db2.gz UHOKGDLOTYBKOI-VXGBXAGGSA-N 0 3 297.351 0.585 20 10 CCCDHN COc1ccc(CNC(CO)CO)cc1Cn1cccn1 ZINC000873062619 617256950 /nfs/dbraw/zinc/25/69/50/617256950.db2.gz VOYSCEQXBKRBEA-UHFFFAOYSA-N 0 3 291.351 0.383 20 10 CCCDHN COc1cccc(CN[C@H]2CCS(=O)(=O)C2)c1O ZINC000019899967 617300412 /nfs/dbraw/zinc/30/04/12/617300412.db2.gz DGDDSZPFZRSTIJ-JTQLQIEISA-N 0 3 271.338 0.678 20 10 CCCDHN CN(C)c1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000808751107 616014664 /nfs/dbraw/zinc/01/46/64/616014664.db2.gz RERWXMMXUDJYRH-ZFWWWQNUSA-N 0 3 264.369 0.928 20 10 CCCDHN CN1CCOC[C@@]1(CO)C[NH2+]Cc1ccccc1[O-] ZINC000922536215 616249350 /nfs/dbraw/zinc/24/93/50/616249350.db2.gz RVSXUMDEOYUMKH-AWEZNQCLSA-N 0 3 266.341 0.175 20 10 CCCDHN COCCNC(=O)C1(NCc2ccccc2O)CC1 ZINC000839192553 616484648 /nfs/dbraw/zinc/48/46/48/616484648.db2.gz KIGIKPNZVBAYCQ-UHFFFAOYSA-N 0 3 264.325 0.777 20 10 CCCDHN COC(=O)CC[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877077267 616576238 /nfs/dbraw/zinc/57/62/38/616576238.db2.gz BALNHUYMQOQXGE-NSHDSACASA-N 0 3 265.313 0.512 20 10 CCCDHN COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650971 616604380 /nfs/dbraw/zinc/60/43/80/616604380.db2.gz AOOQIGWXBHRYDF-UWVGGRQHSA-N 0 3 280.324 0.721 20 10 CCCDHN COCCNCC(=O)NCCCSc1nccs1 ZINC000237181179 631927051 /nfs/dbraw/zinc/92/70/51/631927051.db2.gz BVLPPHPAOGKJQG-UHFFFAOYSA-N 0 3 289.426 0.978 20 10 CCCDHN C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000895327150 632054734 /nfs/dbraw/zinc/05/47/34/632054734.db2.gz ANBORKZZKVQHKZ-YPMHNXCESA-N 0 3 255.289 0.849 20 10 CCCDHN C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000895327150 632054742 /nfs/dbraw/zinc/05/47/42/632054742.db2.gz ANBORKZZKVQHKZ-YPMHNXCESA-N 0 3 255.289 0.849 20 10 CCCDHN O=C(C[C@H]1CNCCO1)NCc1ccccc1O ZINC000228422019 637058146 /nfs/dbraw/zinc/05/81/46/637058146.db2.gz DTGOOMBSDQWNJW-NSHDSACASA-N 0 3 250.298 0.387 20 10 CCCDHN OC[C@@]1(NCc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000184185613 638666355 /nfs/dbraw/zinc/66/63/55/638666355.db2.gz NUUFUBZCAZVWLS-INIZCTEOSA-N 0 3 292.379 0.764 20 10 CCCDHN O=C(c1cccc(O)c1O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861715887 644916860 /nfs/dbraw/zinc/91/68/60/644916860.db2.gz RAUCNGAOIPEVKQ-QWRGUYRKSA-N 0 3 292.335 0.379 20 10 CCCDHN [O-]c1ccc(F)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000862532396 645004803 /nfs/dbraw/zinc/00/48/03/645004803.db2.gz ZIFVCTPTQMJOLB-GFCCVEGCSA-N 0 3 254.305 0.688 20 10 CCCDHN Cc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000876749640 646656678 /nfs/dbraw/zinc/65/66/78/646656678.db2.gz BTZGAUUSFSBGTF-GFCCVEGCSA-N 0 3 284.381 0.824 20 10 CCCDHN COC(=O)CCN(C)Cc1cc(O)c(O)cc1O ZINC001233487121 806064797 /nfs/dbraw/zinc/06/47/97/806064797.db2.gz QVZAOSZFEGTZHJ-UHFFFAOYSA-N 0 3 255.270 0.798 20 10 CCCDHN [NH3+]CCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000722213811 806399845 /nfs/dbraw/zinc/39/98/45/806399845.db2.gz SGOYYSUTXAWCCY-UHFFFAOYSA-N 0 3 250.707 0.746 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(O)cc1O ZINC001236052942 806536206 /nfs/dbraw/zinc/53/62/06/806536206.db2.gz KQWXRBGVAAXQER-NSHDSACASA-N 0 3 266.297 0.045 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(O)c(C)c1O ZINC001236055035 806537777 /nfs/dbraw/zinc/53/77/77/806537777.db2.gz IMFCFDRMDWCPRZ-NSHDSACASA-N 0 3 280.324 0.353 20 10 CCCDHN COc1cc(C)c(CN2CCOC[C@H](O)C2)c(O)c1 ZINC001236809200 806613235 /nfs/dbraw/zinc/61/32/35/806613235.db2.gz UMBZPPREFVDZDP-LLVKDONJSA-N 0 3 267.325 0.902 20 10 CCCDHN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001237124649 806640531 /nfs/dbraw/zinc/64/05/31/806640531.db2.gz PVMGFAYLWWECSO-WRWORJQWSA-N 0 3 275.707 0.970 20 10 CCCDHN [O-]c1ccc(F)c(Cl)c1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001237124649 806640536 /nfs/dbraw/zinc/64/05/36/806640536.db2.gz PVMGFAYLWWECSO-WRWORJQWSA-N 0 3 275.707 0.970 20 10 CCCDHN C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC001122172591 799161382 /nfs/dbraw/zinc/16/13/82/799161382.db2.gz DDZWCQASJLXDQB-UFBFGSQYSA-N 0 3 270.304 0.364 20 10 CCCDHN O=C1COCC2(CC[NH+](Cc3ccccc3[O-])CC2)N1 ZINC001203550502 803034872 /nfs/dbraw/zinc/03/48/72/803034872.db2.gz WKYMLQISZSOOCX-UHFFFAOYSA-N 0 3 276.336 0.873 20 10 CCCDHN COc1cccc(CN2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001203589047 803035913 /nfs/dbraw/zinc/03/59/13/803035913.db2.gz BXJMKOBQSVIALC-HIFRSBDPSA-N 0 3 281.352 0.966 20 10 CCCDHN CC(=O)N[C@H]1CCN(Cc2ccc(O)cc2O)C1 ZINC001204277386 803076102 /nfs/dbraw/zinc/07/61/02/803076102.db2.gz CEBNYWCFOTZARS-NSHDSACASA-N 0 3 250.298 0.808 20 10 CCCDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)C[C@@H]1O ZINC001206530996 803261274 /nfs/dbraw/zinc/26/12/74/803261274.db2.gz ZGNLSNILEGSMHJ-UFBFGSQYSA-N 0 3 272.732 0.503 20 10 CCCDHN COc1cc(C)c(C[N@@H+]2CCC(CO)(CO)C2)c([O-])c1 ZINC001206839184 803291813 /nfs/dbraw/zinc/29/18/13/803291813.db2.gz UQPJWQSGPNSSMG-UHFFFAOYSA-N 0 3 281.352 0.886 20 10 CCCDHN COc1cc(C)c(C[N@H+]2CCC(CO)(CO)C2)c([O-])c1 ZINC001206839184 803291817 /nfs/dbraw/zinc/29/18/17/803291817.db2.gz UQPJWQSGPNSSMG-UHFFFAOYSA-N 0 3 281.352 0.886 20 10 CCCDHN CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000400111153 803763165 /nfs/dbraw/zinc/76/31/65/803763165.db2.gz FWIQDRGOIZZQJT-NSHDSACASA-N 0 3 288.344 0.655 20 10 CCCDHN CC[C@H](CO)NC(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001221380599 804795632 /nfs/dbraw/zinc/79/56/32/804795632.db2.gz UAUUQVSJSJGWCZ-MWLCHTKSSA-N 0 3 252.314 0.669 20 10 CCCDHN CN(C)c1ccc(CN(C)C(=O)[C@H]2CNCCN2C)cc1 ZINC001263111261 809451309 /nfs/dbraw/zinc/45/13/09/809451309.db2.gz YANFVXPYXTUGCQ-OAHLLOKOSA-N 0 3 290.411 0.615 20 10 CCCDHN COC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H]1[NH3+] ZINC001236345845 817272116 /nfs/dbraw/zinc/27/21/16/817272116.db2.gz VEOONOSMONMNLV-QWRGUYRKSA-N 0 3 284.743 0.978 20 10 CCCDHN COc1ccc(N2CC[C@@H](NCCS(C)(=O)=O)C2)cc1 ZINC001335414241 920180765 /nfs/dbraw/zinc/18/07/65/920180765.db2.gz WRAZCFIKHQLANA-GFCCVEGCSA-N 0 3 298.408 0.908 20 10 CCCDHN Nc1ccc(CN2CCC3(CC2)C[C@H](O)CNC3=O)cc1 ZINC001336284629 920702702 /nfs/dbraw/zinc/70/27/02/920702702.db2.gz AYXJPKLMLGEXOB-AWEZNQCLSA-N 0 3 289.379 0.732 20 10 CCCDHN COC[C@@]1(C(=O)NCc2c([O-])cccc2F)CC[NH2+]C1 ZINC001341767778 922666365 /nfs/dbraw/zinc/66/63/65/922666365.db2.gz SEJDVUCAKGNPIB-CQSZACIVSA-N 0 3 282.315 0.774 20 10 CCCDHN CN(C)C(=O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880207 348299824 /nfs/dbraw/zinc/29/98/24/348299824.db2.gz RZNNKHKLXPOEDN-UHFFFAOYSA-N 0 3 266.297 0.689 20 10 CCCDHN COc1cccc(CN(C)CCOCCO)c1O ZINC000282697224 263078203 /nfs/dbraw/zinc/07/82/03/263078203.db2.gz JMKQMCCEOUKKFH-UHFFFAOYSA-N 0 3 255.314 0.842 20 10 CCCDHN CCOc1cccc(CN[C@H](CO)COC)c1O ZINC000233786809 521376546 /nfs/dbraw/zinc/37/65/46/521376546.db2.gz BPDBJQIEEPFWJQ-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN C[N@H+](CCC(N)=O)Cc1cc2c(cc1[O-])OCO2 ZINC000289678314 522698409 /nfs/dbraw/zinc/69/84/09/522698409.db2.gz NUVOBUFSKKGFRY-UHFFFAOYSA-N 0 3 252.270 0.428 20 10 CCCDHN C[N@@H+](CCC(N)=O)Cc1cc2c(cc1[O-])OCO2 ZINC000289678314 522698418 /nfs/dbraw/zinc/69/84/18/522698418.db2.gz NUVOBUFSKKGFRY-UHFFFAOYSA-N 0 3 252.270 0.428 20 10 CCCDHN NS(=O)(=O)[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000785986824 581426378 /nfs/dbraw/zinc/42/63/78/581426378.db2.gz YTJNITIBUFZXBS-SNVBAGLBSA-N 0 3 256.327 0.255 20 10 CCCDHN Cc1cccc(CN2CCC[C@@H]2CS(N)(=O)=O)c1O ZINC000775697333 582034158 /nfs/dbraw/zinc/03/41/58/582034158.db2.gz ZMOWSJQABVEWSZ-GFCCVEGCSA-N 0 3 284.381 0.954 20 10 CCCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2COCCO2)cc1OC ZINC000776034353 582049772 /nfs/dbraw/zinc/04/97/72/582049772.db2.gz QPEIEIUGSWZWCM-LLVKDONJSA-N 0 3 283.324 0.914 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]CCc2nnnn2C)c1 ZINC000776257564 582065381 /nfs/dbraw/zinc/06/53/81/582065381.db2.gz YIWAICPGCKLTKE-UHFFFAOYSA-N 0 3 263.301 0.257 20 10 CCCDHN COc1ccc(CN(CCO)CCO)c(O)c1OC ZINC000895540854 617248905 /nfs/dbraw/zinc/24/89/05/617248905.db2.gz LHEHQYVGNDPGKF-UHFFFAOYSA-N 0 3 271.313 0.196 20 10 CCCDHN COc1ccc(CN2C[C@@H]3C[C@]3(O)C2)c(O)c1OC ZINC000896021050 617252245 /nfs/dbraw/zinc/25/22/45/617252245.db2.gz FLRPAPIZVWNLNY-HZMBPMFUSA-N 0 3 265.309 0.976 20 10 CCCDHN COc1ccc(CN[C@@H](C)C(=O)N(C)OC)c(O)c1OC ZINC000895666415 617258641 /nfs/dbraw/zinc/25/86/41/617258641.db2.gz RFRIYNVYONDSCU-VIFPVBQESA-N 0 3 298.339 0.907 20 10 CCCDHN COc1ccc(N(C)CCN(C)C[C@H](O)[C@@H](C)O)cc1 ZINC000930847687 617267226 /nfs/dbraw/zinc/26/72/26/617267226.db2.gz BPLAZKOZJLURBI-DOMZBBRYSA-N 0 3 282.384 0.805 20 10 CCCDHN COc1ccc(O)c(CN[C@@H](C)C(=O)N(C)OC)c1 ZINC000862539679 617273522 /nfs/dbraw/zinc/27/35/22/617273522.db2.gz QABSWSXXZDBKSJ-VIFPVBQESA-N 0 3 268.313 0.899 20 10 CCCDHN CCOc1ccc(CN2CCN(C)C[C@@H]2CO)c(O)c1 ZINC000877644769 615510552 /nfs/dbraw/zinc/51/05/52/615510552.db2.gz SYFOUHKWNBBEOJ-CYBMUJFWSA-N 0 3 280.368 0.899 20 10 CCCDHN CCOc1cccc(CN2C[C@@H](O)[C@H](OC)C2)c1O ZINC000825016966 615516376 /nfs/dbraw/zinc/51/63/76/615516376.db2.gz KBGHNLRBXNBHFY-DGCLKSJQSA-N 0 3 267.325 0.982 20 10 CCCDHN C[NH+](C)CC1(O)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000913677036 615872091 /nfs/dbraw/zinc/87/20/91/615872091.db2.gz XFRKETKQJVRBGI-UHFFFAOYSA-N 0 3 284.381 0.982 20 10 CCCDHN COC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649557 616539512 /nfs/dbraw/zinc/53/95/12/616539512.db2.gz VZDQZLYIZUSVAB-RNCFNFMXSA-N 0 3 253.298 0.967 20 10 CCCDHN COC[C@@H]1C[C@@H](O)CN1Cc1cc2c(cc1O)OCO2 ZINC000846047045 616992119 /nfs/dbraw/zinc/99/21/19/616992119.db2.gz IDBISCZVTPMGOE-WDEREUQCSA-N 0 3 281.308 0.703 20 10 CCCDHN [O-]c1ccccc1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000850358120 643799211 /nfs/dbraw/zinc/79/92/11/643799211.db2.gz HIPQBBJKUSEJQP-CQSZACIVSA-N 0 3 267.325 0.650 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1COCCN1C ZINC000858276236 644604509 /nfs/dbraw/zinc/60/45/09/644604509.db2.gz LKJJYVRQBSVSHA-LLVKDONJSA-N 0 3 266.341 0.821 20 10 CCCDHN OCCN(CCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000862429400 644999705 /nfs/dbraw/zinc/99/97/05/644999705.db2.gz GCWJLTVKDNQMAD-UHFFFAOYSA-N 0 3 298.358 0.449 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1COCCN1 ZINC000863483862 645099815 /nfs/dbraw/zinc/09/98/15/645099815.db2.gz QLBZOUNWPQMKFJ-SNVBAGLBSA-N 0 3 252.314 0.479 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000877592031 646826741 /nfs/dbraw/zinc/82/67/41/646826741.db2.gz KJXKWECVNYAXDA-DGCLKSJQSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000877592031 646826743 /nfs/dbraw/zinc/82/67/43/646826743.db2.gz KJXKWECVNYAXDA-DGCLKSJQSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1ccc(C[NH2+]C[C@@]2(OCCO)CCOC2)c([O-])c1 ZINC000877624526 646829766 /nfs/dbraw/zinc/82/97/66/646829766.db2.gz POWVOVBWFVYNKW-HNNXBMFYSA-N 0 3 281.352 0.958 20 10 CCCDHN C[C@@H]1COC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000932494287 649076821 /nfs/dbraw/zinc/07/68/21/649076821.db2.gz PGSXFYMWOVZPKK-IUODEOHRSA-N 0 3 291.395 0.993 20 10 CCCDHN O=C1NCC[C@]12CCCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014402 806007449 /nfs/dbraw/zinc/00/74/49/806007449.db2.gz SWYVPLMKIAZKHS-HNNXBMFYSA-N 0 3 292.335 0.906 20 10 CCCDHN CCOC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(N)cc3)C[C@@H]2N1 ZINC001235281584 806401793 /nfs/dbraw/zinc/40/17/93/806401793.db2.gz AONKBEITDGRYIS-YUELXQCFSA-N 0 3 289.379 0.994 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(C)cc1O ZINC001236055496 806537584 /nfs/dbraw/zinc/53/75/84/806537584.db2.gz PSHUZQFMHGUIDA-LBPRGKRZSA-N 0 3 264.325 0.647 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001237484984 806673906 /nfs/dbraw/zinc/67/39/06/806673906.db2.gz KTLAXBOLBDYEED-FZMZJTMJSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001237484984 806673909 /nfs/dbraw/zinc/67/39/09/806673909.db2.gz KTLAXBOLBDYEED-FZMZJTMJSA-N 0 3 251.326 0.876 20 10 CCCDHN CN1CC[C@](O)(CNC(=O)NCc2ccc(N)cc2)C1 ZINC001120677436 798913010 /nfs/dbraw/zinc/91/30/10/798913010.db2.gz QLPFFECHZBVOTM-AWEZNQCLSA-N 0 3 278.356 0.135 20 10 CCCDHN COc1cc(O)c(CN2CC[C@@H](O)C2)c(OC)c1 ZINC001141031454 799973307 /nfs/dbraw/zinc/97/33/07/799973307.db2.gz FHLGEGVEAPYXCE-SECBINFHSA-N 0 3 253.298 0.976 20 10 CCCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C2)c(OC)c1 ZINC001141031454 799973314 /nfs/dbraw/zinc/97/33/14/799973314.db2.gz FHLGEGVEAPYXCE-SECBINFHSA-N 0 3 253.298 0.976 20 10 CCCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)C2)c(OC)c1 ZINC001141031454 799973319 /nfs/dbraw/zinc/97/33/19/799973319.db2.gz FHLGEGVEAPYXCE-SECBINFHSA-N 0 3 253.298 0.976 20 10 CCCDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC001206511821 803256574 /nfs/dbraw/zinc/25/65/74/803256574.db2.gz CMEFOIYHDZTDLO-CABZTGNLSA-N 0 3 256.733 0.797 20 10 CCCDHN COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CN1 ZINC001246168351 807174062 /nfs/dbraw/zinc/17/40/62/807174062.db2.gz CLIGAQIGRNFHOD-QWRGUYRKSA-N 0 3 250.298 0.385 20 10 CCCDHN CC(C)(C)OC(=O)[C@H](O)CNCc1cccc(O)c1O ZINC001253711489 808125804 /nfs/dbraw/zinc/12/58/04/808125804.db2.gz MWSBCXBIHLJXCO-LLVKDONJSA-N 0 3 283.324 0.890 20 10 CCCDHN CC(C)N(C)CC(=O)NCCc1cc(O)c(O)cc1O ZINC001142590286 815183450 /nfs/dbraw/zinc/18/34/50/815183450.db2.gz QRYRYNOHJHUTGT-UHFFFAOYSA-N 0 3 282.340 0.802 20 10 CCCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237046333 817442146 /nfs/dbraw/zinc/44/21/46/817442146.db2.gz AHQPLJHDHZOTRI-RISCZKNCSA-N 0 3 267.325 0.576 20 10 CCCDHN CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237046333 817442151 /nfs/dbraw/zinc/44/21/51/817442151.db2.gz AHQPLJHDHZOTRI-RISCZKNCSA-N 0 3 267.325 0.576 20 10 CCCDHN Oc1cc(O)c(CN2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001144504339 840069475 /nfs/dbraw/zinc/06/94/75/840069475.db2.gz PYVZUSFXQVGWRH-CQSZACIVSA-N 0 3 281.308 0.795 20 10 CCCDHN C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC001119260875 856603606 /nfs/dbraw/zinc/60/36/06/856603606.db2.gz LDJUWQVLMGQXPD-NSHDSACASA-N 0 3 299.392 0.983 20 10 CCCDHN COc1ccc(CN[C@@H](CO)CNC(C)=O)cc1C ZINC001331662680 917489891 /nfs/dbraw/zinc/48/98/91/917489891.db2.gz HHGSNGPRDKKECQ-CYBMUJFWSA-N 0 3 266.341 0.590 20 10 CCCDHN COc1ccc(O)c(CN(CCO)CCCO)c1 ZINC000271727354 353034547 /nfs/dbraw/zinc/03/45/47/353034547.db2.gz LWYAXXDWDLOFJP-UHFFFAOYSA-N 0 3 255.314 0.578 20 10 CCCDHN COc1ccc([O-])c(C[N@H+](CCO)CCCO)c1 ZINC000271727354 353034549 /nfs/dbraw/zinc/03/45/49/353034549.db2.gz LWYAXXDWDLOFJP-UHFFFAOYSA-N 0 3 255.314 0.578 20 10 CCCDHN COc1ccc([O-])c(C[N@@H+](CCO)CCCO)c1 ZINC000271727354 353034551 /nfs/dbraw/zinc/03/45/51/353034551.db2.gz LWYAXXDWDLOFJP-UHFFFAOYSA-N 0 3 255.314 0.578 20 10 CCCDHN COCCN(CCO)Cc1cc(OC)c(OC)cc1O ZINC000271707968 353034698 /nfs/dbraw/zinc/03/46/98/353034698.db2.gz GFAMTXOWGWTVRX-UHFFFAOYSA-N 0 3 285.340 0.850 20 10 CCCDHN COCC[C@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000282095752 353392816 /nfs/dbraw/zinc/39/28/16/353392816.db2.gz CVDYYZPGLZDTMF-SNVBAGLBSA-N 0 3 269.297 0.608 20 10 CCCDHN COc1cc(O)c(CN(C)CCOCCO)cc1OC ZINC000282731700 353448468 /nfs/dbraw/zinc/44/84/68/353448468.db2.gz MJMQAFPUXDWEEG-UHFFFAOYSA-N 0 3 285.340 0.850 20 10 CCCDHN CNCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000237196923 389184486 /nfs/dbraw/zinc/18/44/86/389184486.db2.gz OZFLDRIFXPRGPF-UHFFFAOYSA-N 0 3 277.368 0.953 20 10 CCCDHN C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1[O-] ZINC000179898541 261419493 /nfs/dbraw/zinc/41/94/93/261419493.db2.gz PGHUOTROVKUIQM-NSHDSACASA-N 0 3 264.325 0.902 20 10 CCCDHN CN(C)c1ccc(CNC(=O)C[C@H]2CNCCO2)cc1 ZINC000091310496 327102208 /nfs/dbraw/zinc/10/22/08/327102208.db2.gz JOQLERYMNIBQCI-AWEZNQCLSA-N 0 3 277.368 0.747 20 10 CCCDHN CNCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040421889 521960218 /nfs/dbraw/zinc/96/02/18/521960218.db2.gz JHBKZKPWIQASJP-UHFFFAOYSA-N 0 3 277.368 0.701 20 10 CCCDHN C[C@@H](CN1CCOCC1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879836 524629259 /nfs/dbraw/zinc/62/92/59/524629259.db2.gz DQBMTEQFFMNNOT-NSHDSACASA-N 0 3 294.351 0.931 20 10 CCCDHN CC[C@@H](CO)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000727059336 581299787 /nfs/dbraw/zinc/29/97/87/581299787.db2.gz XRISSEFJBJTHPY-ZDUSSCGKSA-N 0 3 279.384 0.729 20 10 CCCDHN CNC(=O)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000775370407 582021334 /nfs/dbraw/zinc/02/13/34/582021334.db2.gz MMYINAUTZPSSKS-MRVPVSSYSA-N 0 3 281.312 0.507 20 10 CCCDHN CNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764604100 582058464 /nfs/dbraw/zinc/05/84/64/582058464.db2.gz UUWUWTVMHGRCNI-GFCCVEGCSA-N 0 3 277.368 0.920 20 10 CCCDHN C[C@@H](NC(=O)C[C@H]1CNCCO1)c1ccccc1O ZINC000870988408 617194361 /nfs/dbraw/zinc/19/43/61/617194361.db2.gz OSFMEPFKFRVBJO-MNOVXSKESA-N 0 3 264.325 0.948 20 10 CCCDHN COc1cccc(CN[C@]2(C)CCNC2=O)c1O ZINC000897871981 617300349 /nfs/dbraw/zinc/30/03/49/617300349.db2.gz QBAHSDWAWQWNHR-CYBMUJFWSA-N 0 3 250.298 0.769 20 10 CCCDHN CCN(CC)c1ccc(CNS(=O)(=O)C2CNC2)cc1 ZINC000923592158 615013321 /nfs/dbraw/zinc/01/33/21/615013321.db2.gz OUIMYJPNFWJSBI-UHFFFAOYSA-N 0 3 297.424 0.924 20 10 CCCDHN CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647918 615057469 /nfs/dbraw/zinc/05/74/69/615057469.db2.gz QWTUYHALWPKMAK-SECBINFHSA-N 0 3 265.313 0.889 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(=O)OC)C2)c([O-])c1 ZINC000895707078 615510420 /nfs/dbraw/zinc/51/04/20/615510420.db2.gz IMDHRJFEEVZTLC-HNNXBMFYSA-N 0 3 295.335 0.901 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@@](O)(C(=O)OC)C2)c([O-])c1 ZINC000895707078 615510422 /nfs/dbraw/zinc/51/04/22/615510422.db2.gz IMDHRJFEEVZTLC-HNNXBMFYSA-N 0 3 295.335 0.901 20 10 CCCDHN CCOc1ccc(CN2CC[C@@](O)(C(=O)OC)C2)c(O)c1 ZINC000895707078 615510424 /nfs/dbraw/zinc/51/04/24/615510424.db2.gz IMDHRJFEEVZTLC-HNNXBMFYSA-N 0 3 295.335 0.901 20 10 CCCDHN CCOc1ccc(CN2C[C@H](O)[C@@H](O)C2)c(O)c1 ZINC000862446071 615510762 /nfs/dbraw/zinc/51/07/62/615510762.db2.gz OQQMNDOGVFBIPH-STQMWFEESA-N 0 3 253.298 0.328 20 10 CCCDHN CCOc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c([O-])c1 ZINC000862446071 615510763 /nfs/dbraw/zinc/51/07/63/615510763.db2.gz OQQMNDOGVFBIPH-STQMWFEESA-N 0 3 253.298 0.328 20 10 CCCDHN COCCOCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000808237398 616540251 /nfs/dbraw/zinc/54/02/51/616540251.db2.gz OPHLDAUPMAOFCZ-AWEZNQCLSA-N 0 3 297.351 0.913 20 10 CCCDHN COCCOCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000808237398 616540252 /nfs/dbraw/zinc/54/02/52/616540252.db2.gz OPHLDAUPMAOFCZ-AWEZNQCLSA-N 0 3 297.351 0.913 20 10 CCCDHN COC(=O)CNC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648314 616596392 /nfs/dbraw/zinc/59/63/92/616596392.db2.gz JPBFHTQPCONIOA-SNVBAGLBSA-N 0 3 280.324 0.722 20 10 CCCDHN COCC[C@H](N)C(=O)NCc1ccc(OC)cc1O ZINC000884334814 616677472 /nfs/dbraw/zinc/67/74/72/616677472.db2.gz CGSBYKFIVPFIQH-NSHDSACASA-N 0 3 268.313 0.381 20 10 CCCDHN CNS(=O)(=O)CCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877690224 617012387 /nfs/dbraw/zinc/01/23/87/617012387.db2.gz VTGGIUDCFRBMGG-UHFFFAOYSA-N 0 3 272.370 0.730 20 10 CCCDHN CON(C)C(=O)[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000858320003 617068894 /nfs/dbraw/zinc/06/88/94/617068894.db2.gz MFIYTNQQZRSPQR-QMMMGPOBSA-N 0 3 282.296 0.619 20 10 CCCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000928704804 632544296 /nfs/dbraw/zinc/54/42/96/632544296.db2.gz DEVOHSNBHBRMRI-ZDUSSCGKSA-N 0 3 293.342 0.537 20 10 CCCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000928704804 632544304 /nfs/dbraw/zinc/54/43/04/632544304.db2.gz DEVOHSNBHBRMRI-ZDUSSCGKSA-N 0 3 293.342 0.537 20 10 CCCDHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccccc1O ZINC000827973406 642055601 /nfs/dbraw/zinc/05/56/01/642055601.db2.gz OOOAFFXWEGVMLF-GXTWGEPZSA-N 0 3 289.379 0.959 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000877567879 646824975 /nfs/dbraw/zinc/82/49/75/646824975.db2.gz SHFWIDFXRKOQKD-PHIMTYICSA-N 0 3 260.293 0.405 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000877567879 646824978 /nfs/dbraw/zinc/82/49/78/646824978.db2.gz SHFWIDFXRKOQKD-PHIMTYICSA-N 0 3 260.293 0.405 20 10 CCCDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC000877592042 646826678 /nfs/dbraw/zinc/82/66/78/646826678.db2.gz KOYGEBORSJQYDO-CHWSQXEVSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC000877592042 646826679 /nfs/dbraw/zinc/82/66/79/646826679.db2.gz KOYGEBORSJQYDO-CHWSQXEVSA-N 0 3 251.326 0.876 20 10 CCCDHN C[C@@]12C[NH+](Cc3ccccc3[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877667889 646833383 /nfs/dbraw/zinc/83/33/83/646833383.db2.gz COFHAOFZRGKWNP-GJZGRUSLSA-N 0 3 274.320 0.877 20 10 CCCDHN C[C@@H](NS(=O)(=O)C1CNC1)c1ccccc1O ZINC000923668193 646876551 /nfs/dbraw/zinc/87/65/51/646876551.db2.gz DNTLKRURVMAPME-MRVPVSSYSA-N 0 3 256.327 0.344 20 10 CCCDHN C[C@@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1ccccc1[O-] ZINC000879649444 647089591 /nfs/dbraw/zinc/08/95/91/647089591.db2.gz UDTVJSAREARKPU-NXEZZACHSA-N 0 3 277.324 0.983 20 10 CCCDHN CN(C)c1ccc(CN2CCOC[C@@H](O)C2)c(O)c1 ZINC001232835442 805985372 /nfs/dbraw/zinc/98/53/72/805985372.db2.gz CJNLDSWXVHROCT-ZDUSSCGKSA-N 0 3 266.341 0.651 20 10 CCCDHN CC(=O)NC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482361 806059605 /nfs/dbraw/zinc/05/96/05/806059605.db2.gz LCMYSFIXYLQFPA-UHFFFAOYSA-N 0 3 280.324 0.904 20 10 CCCDHN Oc1cc(O)c(CN2CC[C@@H](N3CCOCC3)C2)cc1O ZINC001233485268 806062407 /nfs/dbraw/zinc/06/24/07/806062407.db2.gz OXAUVADQXHHAHO-GFCCVEGCSA-N 0 3 294.351 0.710 20 10 CCCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N)cc1 ZINC000083396618 799869524 /nfs/dbraw/zinc/86/95/24/799869524.db2.gz WXQCTASKGRZPAL-LLVKDONJSA-N 0 3 253.371 0.965 20 10 CCCDHN CN1CCC(Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226465262 805235903 /nfs/dbraw/zinc/23/59/03/805235903.db2.gz RGHIPLHZDPYLGD-UHFFFAOYSA-N 0 3 271.269 0.688 20 10 CCCDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CN1 ZINC001246170552 807175150 /nfs/dbraw/zinc/17/51/50/807175150.db2.gz MXLUFXQKTRTLHH-RYUDHWBXSA-N 0 3 264.325 0.775 20 10 CCCDHN CCOC(=O)C[C@H](O)CNC[C@H](O)c1ccc(O)c(O)c1 ZINC001253788798 808139472 /nfs/dbraw/zinc/13/94/72/808139472.db2.gz KGWVBUUWVPBKPD-GWCFXTLKSA-N 0 3 299.323 0.035 20 10 CCCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc(O)ccc3O)C[C@@H]21 ZINC001141159135 811822949 /nfs/dbraw/zinc/82/29/49/811822949.db2.gz AKSCYEQCICMCKX-PJXYFTJBSA-N 0 3 263.293 0.949 20 10 CCCDHN CN(C)C[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000702386154 819113658 /nfs/dbraw/zinc/11/36/58/819113658.db2.gz HFSCBIGGWMIXBL-ZDUSSCGKSA-N 0 3 264.373 0.258 20 10 CCCDHN CC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2)C1 ZINC001169507613 836313046 /nfs/dbraw/zinc/31/30/46/836313046.db2.gz VESMXGANDYXMCT-NSHDSACASA-N 0 3 250.298 0.808 20 10 CCCDHN C[C@@H](C[NH+](C)C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589698 840855251 /nfs/dbraw/zinc/85/52/51/840855251.db2.gz HOIOLTRSILCGKQ-ZETCQYMHSA-N 0 3 254.286 0.483 20 10 CCCDHN CNC(=O)C1CN(Cc2c(C)cc(OC)cc2O)C1 ZINC001308809463 901193781 /nfs/dbraw/zinc/19/37/81/901193781.db2.gz LGKISUVFMOCOFU-UHFFFAOYSA-N 0 3 264.325 0.887 20 10 CCCDHN COC(=O)[C@H]1C[NH+](Cc2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001333841457 919202294 /nfs/dbraw/zinc/20/22/94/919202294.db2.gz OIFDPIDOCZKAMO-RYUDHWBXSA-N 0 3 293.319 0.786 20 10 CCCDHN COc1cccc(O)c1CN1CCOC2(CNC2)C1 ZINC001347206792 924398357 /nfs/dbraw/zinc/39/83/57/924398357.db2.gz HFPCCLFZYIODNL-UHFFFAOYSA-N 0 3 264.325 0.575 20 10 CCCDHN COc1ccc(O)c(CN[C@@]2(C)CCNC2=O)c1 ZINC001355370175 926246998 /nfs/dbraw/zinc/24/69/98/926246998.db2.gz HBCHNGBVARPNEK-ZDUSSCGKSA-N 0 3 250.298 0.769 20 10 CCCDHN COc1ccc(N2CCCN(C(=O)CN)CC2)cc1 ZINC000237279667 389185887 /nfs/dbraw/zinc/18/58/87/389185887.db2.gz CBQJYSNSMDRLBK-UHFFFAOYSA-N 0 3 263.341 0.693 20 10 CCCDHN NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132915932 389229216 /nfs/dbraw/zinc/22/92/16/389229216.db2.gz RWSIHCXHYGCGRE-UHFFFAOYSA-N 0 3 267.304 0.237 20 10 CCCDHN NC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000132914335 389229365 /nfs/dbraw/zinc/22/93/65/389229365.db2.gz LJEXIICAZYQLAS-UHFFFAOYSA-N 0 3 293.342 0.770 20 10 CCCDHN CC[C@@H]([NH2+]CCS(=O)(=O)NC)c1ccccc1[O-] ZINC000187169348 286908480 /nfs/dbraw/zinc/90/84/80/286908480.db2.gz VDDKCBCOSLMYQS-LLVKDONJSA-N 0 3 272.370 0.982 20 10 CCCDHN CN1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000157908125 261155416 /nfs/dbraw/zinc/15/54/16/261155416.db2.gz LSAAROXXTWDCJG-NSHDSACASA-N 0 3 264.325 0.851 20 10 CCCDHN CCOc1cccc(CNCCS(=O)(=O)NC)c1O ZINC000190311658 264357902 /nfs/dbraw/zinc/35/79/02/264357902.db2.gz VOEGDMVKOKGHAD-UHFFFAOYSA-N 0 3 288.369 0.430 20 10 CCCDHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000237162671 521774152 /nfs/dbraw/zinc/77/41/52/521774152.db2.gz RLYFCQHPEODOJP-LLVKDONJSA-N 0 3 290.367 0.617 20 10 CCCDHN C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000187201561 521883989 /nfs/dbraw/zinc/88/39/89/521883989.db2.gz BSUYAUCOJCYWLP-CYBMUJFWSA-N 0 3 268.313 0.140 20 10 CCCDHN COc1cccc(O)c1CNC[C@@H](C)S(C)(=O)=O ZINC000754086426 581575071 /nfs/dbraw/zinc/57/50/71/581575071.db2.gz YNPIAMIHUUYPMU-SECBINFHSA-N 0 3 273.354 0.924 20 10 CCCDHN CCN(CCO)CC[NH2+]Cc1c([O-])cccc1OC ZINC000768945455 581663670 /nfs/dbraw/zinc/66/36/70/581663670.db2.gz LYFFYUIBPKIEMD-UHFFFAOYSA-N 0 3 268.357 0.805 20 10 CCCDHN COc1ccc(N2CC[C@H](CNC(=O)CN)C2)cc1 ZINC000843506162 617268020 /nfs/dbraw/zinc/26/80/20/617268020.db2.gz LOUNJCASKGDIDQ-LLVKDONJSA-N 0 3 263.341 0.596 20 10 CCCDHN CC(=O)C(=O)COC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885480875 613659580 /nfs/dbraw/zinc/65/95/80/613659580.db2.gz DXIMYEMQEQPYTO-SNVBAGLBSA-N 0 3 283.324 0.725 20 10 CCCDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850852482 614708081 /nfs/dbraw/zinc/70/80/81/614708081.db2.gz ILAFGJGSCFJQIC-CYBMUJFWSA-N 0 3 290.367 0.808 20 10 CCCDHN C[N@@H+](Cc1ccccc1[O-])CC1CN(S(C)(=O)=O)C1 ZINC000929970892 616171120 /nfs/dbraw/zinc/17/11/20/616171120.db2.gz LPANTRBDERWGMY-UHFFFAOYSA-N 0 3 284.381 0.715 20 10 CCCDHN C[N@H+](Cc1ccccc1[O-])CC1CN(S(C)(=O)=O)C1 ZINC000929970892 616171121 /nfs/dbraw/zinc/17/11/21/616171121.db2.gz LPANTRBDERWGMY-UHFFFAOYSA-N 0 3 284.381 0.715 20 10 CCCDHN C[C@@H](NC(=O)NC[C@@H]1CNCCO1)c1ccccc1O ZINC000892185064 622652327 /nfs/dbraw/zinc/65/23/27/622652327.db2.gz YVKSQYWWLLVNIT-MNOVXSKESA-N 0 3 279.340 0.741 20 10 CCCDHN COCC[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000052809038 623064433 /nfs/dbraw/zinc/06/44/33/623064433.db2.gz YMAACEJPPYTTBA-LLVKDONJSA-N 0 3 252.314 0.714 20 10 CCCDHN O=S1(=O)CCC[C@@H](NCc2cc3c(cc2O)OCO3)C1 ZINC000069141784 624690680 /nfs/dbraw/zinc/69/06/80/624690680.db2.gz ADPDNSJVXKKZIR-SNVBAGLBSA-N 0 3 299.348 0.788 20 10 CCCDHN C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000895327149 632054804 /nfs/dbraw/zinc/05/48/04/632054804.db2.gz ANBORKZZKVQHKZ-WCQYABFASA-N 0 3 255.289 0.849 20 10 CCCDHN C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000895327149 632054811 /nfs/dbraw/zinc/05/48/11/632054811.db2.gz ANBORKZZKVQHKZ-WCQYABFASA-N 0 3 255.289 0.849 20 10 CCCDHN C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccccc1[O-] ZINC000927031490 633579219 /nfs/dbraw/zinc/57/92/19/633579219.db2.gz OFIPSFKHQVQNTF-ZJUUUORDSA-N 0 3 273.354 0.448 20 10 CCCDHN CCNS(=O)(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000068980857 638283726 /nfs/dbraw/zinc/28/37/26/638283726.db2.gz IJFJCCVWTNMMIO-UHFFFAOYSA-N 0 3 258.343 0.421 20 10 CCCDHN Cc1cc(CN2C[C@H](O)C[C@H](O)C2)ccc1N(C)C ZINC000815055690 641089448 /nfs/dbraw/zinc/08/94/48/641089448.db2.gz JJVAHENRADGNMD-OKILXGFUSA-N 0 3 264.369 0.989 20 10 CCCDHN COc1cc(O)c(CN2CCC(O)(CO)CC2)cc1OC ZINC000827147853 641984077 /nfs/dbraw/zinc/98/40/77/641984077.db2.gz XFWPKBQEYFJCBZ-UHFFFAOYSA-N 0 3 297.351 0.729 20 10 CCCDHN Cc1ccc(CN2CCC[C@@H]2CS(N)(=O)=O)c(O)c1 ZINC000876737750 646652984 /nfs/dbraw/zinc/65/29/84/646652984.db2.gz UCPATPBATSZSTA-GFCCVEGCSA-N 0 3 284.381 0.954 20 10 CCCDHN Cc1cccc(O)c1CN1CC(N2CC[C@@H](O)C2)C1 ZINC000877604681 646828276 /nfs/dbraw/zinc/82/82/76/646828276.db2.gz FYYSDJZDDPNGHK-CYBMUJFWSA-N 0 3 262.353 0.951 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000877625449 646829253 /nfs/dbraw/zinc/82/92/53/646829253.db2.gz YSWDFGGHYQMSLX-OAHLLOKOSA-N 0 3 281.352 0.958 20 10 CCCDHN Cc1cccc(CN2CCN(C)C[C@H]2CO)c1O ZINC000877644905 646831326 /nfs/dbraw/zinc/83/13/26/646831326.db2.gz VGMHWLHZMVOWAR-ZDUSSCGKSA-N 0 3 250.342 0.809 20 10 CCCDHN COc1cc(CN2CC[C@@H](O)[C@@](C)(CO)C2)c(O)cc1O ZINC001231634466 805822934 /nfs/dbraw/zinc/82/29/34/805822934.db2.gz NKMKLOKGKOHREI-HUUCEWRRSA-N 0 3 297.351 0.672 20 10 CCCDHN O=C1NC2(CO1)CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233486531 806062609 /nfs/dbraw/zinc/06/26/09/806062609.db2.gz QKIHWDCKMSVHHD-UHFFFAOYSA-N 0 3 294.307 0.878 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(OC)cc1O ZINC001236052758 806534461 /nfs/dbraw/zinc/53/44/61/806534461.db2.gz GFESNUIJWCICAY-LBPRGKRZSA-N 0 3 280.324 0.348 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237050972 806634731 /nfs/dbraw/zinc/63/47/31/806634731.db2.gz ZFVNPHKKGKQFHU-IUODEOHRSA-N 0 3 281.352 0.966 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237050972 806634739 /nfs/dbraw/zinc/63/47/39/806634739.db2.gz ZFVNPHKKGKQFHU-IUODEOHRSA-N 0 3 281.352 0.966 20 10 CCCDHN C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC001122172586 799160513 /nfs/dbraw/zinc/16/05/13/799160513.db2.gz DDZWCQASJLXDQB-PELKAZGASA-N 0 3 270.304 0.364 20 10 CCCDHN CN1CCOc2cc(CN3C[C@H](CO)[C@H](O)C3)ccc21 ZINC001141139823 799983179 /nfs/dbraw/zinc/98/31/79/799983179.db2.gz CPHBFCWZWXKQPR-TZMCWYRMSA-N 0 3 278.352 0.300 20 10 CCCDHN Cn1ccc(-c2cccnc2OC2CNC2)cc1=O ZINC001240995636 806961003 /nfs/dbraw/zinc/96/10/03/806961003.db2.gz BVLKDNXKFVOMQR-UHFFFAOYSA-N 0 3 257.293 0.798 20 10 CCCDHN CC(C)(O)CN1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882310 803050464 /nfs/dbraw/zinc/05/04/64/803050464.db2.gz BNHBRHNBDYYSSV-UHFFFAOYSA-N 0 3 280.368 0.986 20 10 CCCDHN CC(C)(O)CN1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204282521 803077281 /nfs/dbraw/zinc/07/72/81/803077281.db2.gz RMIIVLIWDSITNC-UHFFFAOYSA-N 0 3 280.368 0.986 20 10 CCCDHN COc1cc([O-])c(CN2CC[C@@H](O)[C@H]([NH3+])C2)cc1Cl ZINC001206097430 803207143 /nfs/dbraw/zinc/20/71/43/803207143.db2.gz RIHOMUDCYQSIPY-GHMZBOCLSA-N 0 3 286.759 0.948 20 10 CCCDHN O=S(=O)(CC[NH2+]Cc1cc(F)ccc1[O-])NC1CC1 ZINC001207768410 803447828 /nfs/dbraw/zinc/44/78/28/803447828.db2.gz GWVAGMRHUPOGOG-UHFFFAOYSA-N 0 3 288.344 0.703 20 10 CCCDHN CC[C@@H](CO)NC(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001221380575 804796119 /nfs/dbraw/zinc/79/61/19/804796119.db2.gz UAUUQVSJSJGWCZ-GXSJLCMTSA-N 0 3 252.314 0.669 20 10 CCCDHN CN1CCOC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000700154954 818729759 /nfs/dbraw/zinc/72/97/59/818729759.db2.gz FSKDXWLLPMXBQF-LBPRGKRZSA-N 0 3 254.305 0.952 20 10 CCCDHN CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001169504104 836310377 /nfs/dbraw/zinc/31/03/77/836310377.db2.gz LGIICWRGTXJOAV-LLVKDONJSA-N 0 3 250.298 0.808 20 10 CCCDHN OC[C@@H]1C[C@H](F)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144499167 840065700 /nfs/dbraw/zinc/06/57/00/840065700.db2.gz CXZYXVYOAPOYTN-BDAKNGLRSA-N 0 3 271.288 0.956 20 10 CCCDHN NC(=O)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC001325271727 913313586 /nfs/dbraw/zinc/31/35/86/913313586.db2.gz VOOLQOBNXIQAPZ-ZANVPECISA-N 0 3 292.335 0.515 20 10 CCCDHN NC(=O)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC001325271727 913313606 /nfs/dbraw/zinc/31/36/06/913313606.db2.gz VOOLQOBNXIQAPZ-ZANVPECISA-N 0 3 292.335 0.515 20 10 CCCDHN CN(C)CCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331939276 917735305 /nfs/dbraw/zinc/73/53/05/917735305.db2.gz WHEDWNKSKZVFGW-UHFFFAOYSA-N 0 3 291.351 0.254 20 10 CCCDHN CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2c([O-])cccc2F)C1 ZINC001358168133 926650057 /nfs/dbraw/zinc/65/00/57/926650057.db2.gz OIHUJWDKYKXSGN-XPTSAGLGSA-N 0 3 282.315 0.915 20 10 CCCDHN COc1cccc(CN[C@@H](C)C(=O)N(C)C)c1O ZINC000036794281 348171262 /nfs/dbraw/zinc/17/12/62/348171262.db2.gz HYTIIOYRRLWZLK-VIFPVBQESA-N 0 3 252.314 0.967 20 10 CCCDHN CS(=O)(=O)CCNCc1cc2c(cc1O)OCO2 ZINC000042880198 348300222 /nfs/dbraw/zinc/30/02/22/348300222.db2.gz RFJIYUPVXDTOTG-UHFFFAOYSA-N 0 3 273.310 0.255 20 10 CCCDHN CCOc1cccc(CN2CCOC[C@H](O)C2)c1O ZINC000294934244 199258579 /nfs/dbraw/zinc/25/85/79/199258579.db2.gz ZQJMULPCSNTAKQ-GFCCVEGCSA-N 0 3 267.325 0.984 20 10 CCCDHN CN(C)c1ccc(CN(CCO)CCCO)cc1 ZINC000093323731 389036913 /nfs/dbraw/zinc/03/69/13/389036913.db2.gz HOIAOHIUQOEFEV-UHFFFAOYSA-N 0 3 252.358 0.929 20 10 CCCDHN C[C@@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269260681 389410440 /nfs/dbraw/zinc/41/04/40/389410440.db2.gz VPFPITQCNQPYRR-GFCCVEGCSA-N 0 3 291.395 0.859 20 10 CCCDHN CCOc1cccc(C[NH2+]C[C@@H](O)COC)c1[O-] ZINC000071269760 521365429 /nfs/dbraw/zinc/36/54/29/521365429.db2.gz GWULCHRPJYQPFH-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN COc1cc(Cl)cc(C[NH2+]CCc2nnnn2C)c1[O-] ZINC000761215422 581897247 /nfs/dbraw/zinc/89/72/47/581897247.db2.gz LKFXUUZOXYELOG-UHFFFAOYSA-N 0 3 297.746 0.910 20 10 CCCDHN C[C@H](NCC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000775256378 582016747 /nfs/dbraw/zinc/01/67/47/582016747.db2.gz YIWPPLVVQBXCIM-NSHDSACASA-N 0 3 263.341 0.659 20 10 CCCDHN COc1ccc(CN[C@H](C)C(N)=O)c(O)c1OC ZINC000894066944 617260231 /nfs/dbraw/zinc/26/02/31/617260231.db2.gz OMIINMTXNQTPHH-SSDOTTSWSA-N 0 3 254.286 0.373 20 10 CCCDHN COc1cccc(O)c1CN1CCC(O)(CO)CC1 ZINC000827146620 617305432 /nfs/dbraw/zinc/30/54/32/617305432.db2.gz HYNWJXLLRMCWHA-UHFFFAOYSA-N 0 3 267.325 0.720 20 10 CCCDHN COc1cccc([O-])c1C[NH+]1CCC(O)(CO)CC1 ZINC000827146620 617305433 /nfs/dbraw/zinc/30/54/33/617305433.db2.gz HYNWJXLLRMCWHA-UHFFFAOYSA-N 0 3 267.325 0.720 20 10 CCCDHN CCN(OC)C(=O)CNCc1cc(OC)ccc1O ZINC000843429912 615075953 /nfs/dbraw/zinc/07/59/53/615075953.db2.gz CVIPEYRHKVUXNX-UHFFFAOYSA-N 0 3 268.313 0.900 20 10 CCCDHN CCN(OC)C(=O)CNCc1ccc(OC)c(OC)c1O ZINC000895115621 615075992 /nfs/dbraw/zinc/07/59/92/615075992.db2.gz QOCHBJKGAWPXIB-UHFFFAOYSA-N 0 3 298.339 0.909 20 10 CCCDHN CCOc1cccc(CN2CC[C@](O)(C(=O)OC)C2)c1O ZINC000895708569 615516584 /nfs/dbraw/zinc/51/65/84/615516584.db2.gz SLOOKXCUFLVBSX-OAHLLOKOSA-N 0 3 295.335 0.901 20 10 CCCDHN CN(C)c1ccc(CN2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877749189 616014319 /nfs/dbraw/zinc/01/43/19/616014319.db2.gz PYQPKFUORUXPCC-KGLIPLIRSA-N 0 3 250.342 0.680 20 10 CCCDHN CN(C)c1ccc([C@H](CNC(=O)NCCO)N(C)C)cc1 ZINC000929914481 616019531 /nfs/dbraw/zinc/01/95/31/616019531.db2.gz BJIINFTVYJGNFS-AWEZNQCLSA-N 0 3 294.399 0.647 20 10 CCCDHN COCC[C@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000884309879 616679780 /nfs/dbraw/zinc/67/97/80/616679780.db2.gz IAEJWSAEBIMWPT-SKDRFNHKSA-N 0 3 282.340 0.942 20 10 CCCDHN [NH3+][C@@]1(CO)CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000904400771 634742746 /nfs/dbraw/zinc/74/27/46/634742746.db2.gz ARXJIMVGSLFRBK-ZDUSSCGKSA-N 0 3 254.305 0.817 20 10 CCCDHN O[C@H]1COCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824620429 641835985 /nfs/dbraw/zinc/83/59/85/641835985.db2.gz ODJLYMJFXNAWDT-MRXNPFEDSA-N 0 3 292.379 0.716 20 10 CCCDHN Cn1cnnc1N1CCN(Cc2ccccc2O)CC1 ZINC000848925117 643690177 /nfs/dbraw/zinc/69/01/77/643690177.db2.gz NYLYWABRXDVLCX-UHFFFAOYSA-N 0 3 273.340 0.843 20 10 CCCDHN Cc1ccc(C(=O)N[C@H](CO)CN(C)C)c(O)c1O ZINC000854465963 644208329 /nfs/dbraw/zinc/20/83/29/644208329.db2.gz VHOUVXBGBIJZJV-VIFPVBQESA-N 0 3 268.313 0.059 20 10 CCCDHN Nc1ccc(OCc2cn(C[C@H]3CNCCO3)nn2)cc1 ZINC000864650883 645259716 /nfs/dbraw/zinc/25/97/16/645259716.db2.gz NMGLDBXQOOOATL-CQSZACIVSA-N 0 3 289.339 0.428 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]CCOCCS(C)(=O)=O ZINC000877043090 646721619 /nfs/dbraw/zinc/72/16/19/646721619.db2.gz ATOWNPAIXVIDPY-UHFFFAOYSA-N 0 3 287.381 0.851 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CCC(CO)(CO)C1 ZINC000877632795 646830539 /nfs/dbraw/zinc/83/05/39/646830539.db2.gz NSBVXAUSTXCOJE-UHFFFAOYSA-N 0 3 251.326 0.877 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CCC(CO)(CO)C1 ZINC000877632795 646830540 /nfs/dbraw/zinc/83/05/40/646830540.db2.gz NSBVXAUSTXCOJE-UHFFFAOYSA-N 0 3 251.326 0.877 20 10 CCCDHN COCCN1CCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000193014571 649521666 /nfs/dbraw/zinc/52/16/66/649521666.db2.gz BEUURTVVDMZEIT-LLVKDONJSA-N 0 3 294.351 0.938 20 10 CCCDHN COc1cc(CN2CC[C@H](O)[C@H](CO)C2)c(O)cc1O ZINC001231633889 805821627 /nfs/dbraw/zinc/82/16/27/805821627.db2.gz CEXRKGGCNRPPSB-QWRGUYRKSA-N 0 3 283.324 0.282 20 10 CCCDHN COc1cc([O-])c(C[NH2+]C23CC(C(N)=O)(C2)C3)c(OC)c1 ZINC001277589285 805869207 /nfs/dbraw/zinc/86/92/07/805869207.db2.gz YOUZIIMCYZQTNS-UHFFFAOYSA-N 0 3 292.335 0.907 20 10 CCCDHN CN(C)c1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001232835961 805986437 /nfs/dbraw/zinc/98/64/37/805986437.db2.gz IXSYZFXYOXUJCK-HNNXBMFYSA-N 0 3 291.395 0.975 20 10 CCCDHN [O-]c1cc(O)c(CN2CCNC[C@@]23CC[NH2+]C3)cc1Cl ZINC001234991119 806338334 /nfs/dbraw/zinc/33/83/34/806338334.db2.gz WMTMOBKHXMPHKA-AWEZNQCLSA-N 0 3 297.786 0.889 20 10 CCCDHN [O-]c1ccc(F)cc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052566 806355074 /nfs/dbraw/zinc/35/50/74/806355074.db2.gz GAOFXWXCDNIKRB-AWEZNQCLSA-N 0 3 265.332 0.669 20 10 CCCDHN COc1cc(C)c(CN2CCOC[C@@H](O)C2)c(O)c1 ZINC001236809201 806612815 /nfs/dbraw/zinc/61/28/15/806612815.db2.gz UMBZPPREFVDZDP-NSHDSACASA-N 0 3 267.325 0.902 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001140058076 799877788 /nfs/dbraw/zinc/87/77/88/799877788.db2.gz SDEAGOAGTPYJHD-GWCFXTLKSA-N 0 3 255.289 0.706 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001140058076 799877796 /nfs/dbraw/zinc/87/77/96/799877796.db2.gz SDEAGOAGTPYJHD-GWCFXTLKSA-N 0 3 255.289 0.706 20 10 CCCDHN [NH3+][C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1O ZINC001205347065 803135851 /nfs/dbraw/zinc/13/58/51/803135851.db2.gz JOXIACRVHSMUIH-MWLCHTKSSA-N 0 3 287.157 0.659 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CN1 ZINC001246237726 807195349 /nfs/dbraw/zinc/19/53/49/807195349.db2.gz BWUIHTNNEFYKAX-FOGDFJRCSA-N 0 3 264.325 0.946 20 10 CCCDHN COC(=O)[C@H](O)CN1CCc2cccc(O)c2C1 ZINC001252428780 807845246 /nfs/dbraw/zinc/84/52/46/807845246.db2.gz VCQWGATXOHYFNL-GFCCVEGCSA-N 0 3 251.282 0.284 20 10 CCCDHN CN(Cc1ccccc1O)CC1(O)CCS(=O)(=O)CC1 ZINC001253940904 808161234 /nfs/dbraw/zinc/16/12/34/808161234.db2.gz FKWUEXRBRPVNCS-UHFFFAOYSA-N 0 3 299.392 0.764 20 10 CCCDHN COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001203621569 844442444 /nfs/dbraw/zinc/44/24/44/844442444.db2.gz XLTRVBQNPXOROP-MFKMUULPSA-N 0 3 253.298 0.186 20 10 CCCDHN COc1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001203621569 844442451 /nfs/dbraw/zinc/44/24/51/844442451.db2.gz XLTRVBQNPXOROP-MFKMUULPSA-N 0 3 253.298 0.186 20 10 CCCDHN CS(=O)(=O)N1CC[C@H](NCc2ccc(N)cc2)C1 ZINC001120371760 857048413 /nfs/dbraw/zinc/04/84/13/857048413.db2.gz PVOGTRRRKUUPTE-LBPRGKRZSA-N 0 3 269.370 0.392 20 10 CCCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001341768727 922665181 /nfs/dbraw/zinc/66/51/81/922665181.db2.gz WGWJTIQGHWGMIF-ONOSFVFSSA-N 0 3 250.273 0.898 20 10 CCCDHN COc1ccc(O)c(CN[C@@H](C)C(=O)N(C)C)c1 ZINC000036793790 348169912 /nfs/dbraw/zinc/16/99/12/348169912.db2.gz JTRZYGQUQWHBBL-VIFPVBQESA-N 0 3 252.314 0.967 20 10 CCCDHN COC[C@H](O)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224933568 351999245 /nfs/dbraw/zinc/99/92/45/351999245.db2.gz JMSDFUCULIBWKP-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1C ZINC000364322810 357108521 /nfs/dbraw/zinc/10/85/21/357108521.db2.gz GYMYQOJXYZWGIR-QWHCGFSZSA-N 0 3 251.326 0.937 20 10 CCCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1C ZINC000364322810 357108527 /nfs/dbraw/zinc/10/85/27/357108527.db2.gz GYMYQOJXYZWGIR-QWHCGFSZSA-N 0 3 251.326 0.937 20 10 CCCDHN CN(C)c1ccc(CN2CCOC[C@@H](O)C2)cc1 ZINC000294687811 199134222 /nfs/dbraw/zinc/13/42/22/199134222.db2.gz CBJNVCVHYMELHE-AWEZNQCLSA-N 0 3 250.342 0.946 20 10 CCCDHN CNS(=O)(=O)[C@@H]1CCN(Cc2cccc(C)c2O)C1 ZINC000373226889 389466886 /nfs/dbraw/zinc/46/68/86/389466886.db2.gz DFHJRVXELNTAIU-GFCCVEGCSA-N 0 3 284.381 0.824 20 10 CCCDHN COCC[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000281140831 389608641 /nfs/dbraw/zinc/60/86/41/389608641.db2.gz DSMRTVZEGKSADD-NSHDSACASA-N 0 3 285.340 0.896 20 10 CCCDHN C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccccc1[O-] ZINC000179874995 389664063 /nfs/dbraw/zinc/66/40/63/389664063.db2.gz CULYWFYYTGUWBR-VIFPVBQESA-N 0 3 263.297 0.595 20 10 CCCDHN COCCC[N@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000275706492 292342309 /nfs/dbraw/zinc/34/23/09/292342309.db2.gz CDLIFCCNEWGKNZ-UHFFFAOYSA-N 0 3 283.324 0.952 20 10 CCCDHN COCCC[N@@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000275706492 292342311 /nfs/dbraw/zinc/34/23/11/292342311.db2.gz CDLIFCCNEWGKNZ-UHFFFAOYSA-N 0 3 283.324 0.952 20 10 CCCDHN C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccccc1[O-] ZINC000775130580 582012239 /nfs/dbraw/zinc/01/22/39/582012239.db2.gz MJDJYKGDTJXIOY-LBPRGKRZSA-N 0 3 277.368 0.817 20 10 CCCDHN COc1ccc(CNC(=O)[C@@H](N)CC(F)F)c(O)c1 ZINC000832178628 617255325 /nfs/dbraw/zinc/25/53/25/617255325.db2.gz UKIBARUHPUANEV-VIFPVBQESA-N 0 3 274.267 1.000 20 10 CCCDHN C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000834565611 615936875 /nfs/dbraw/zinc/93/68/75/615936875.db2.gz VORMGYDSPUTHJV-ZDUSSCGKSA-N 0 3 284.381 0.982 20 10 CCCDHN CN(C)C[C@@]1(O)CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000834565611 615936877 /nfs/dbraw/zinc/93/68/77/615936877.db2.gz VORMGYDSPUTHJV-ZDUSSCGKSA-N 0 3 284.381 0.982 20 10 CCCDHN CN(C)c1ccc([C@H](N)CNC(=O)C(=O)NC2CC2)cc1 ZINC000843298088 616019393 /nfs/dbraw/zinc/01/93/93/616019393.db2.gz MELJDCVXANHPBA-CYBMUJFWSA-N 0 3 290.367 0.147 20 10 CCCDHN COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccccc2[O-])C1 ZINC000843434390 616478491 /nfs/dbraw/zinc/47/84/91/616478491.db2.gz KRZDHDXHOKHEQT-NEPJUHHUSA-N 0 3 265.309 0.748 20 10 CCCDHN COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000843434390 616478494 /nfs/dbraw/zinc/47/84/94/616478494.db2.gz KRZDHDXHOKHEQT-NEPJUHHUSA-N 0 3 265.309 0.748 20 10 CCCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000865686862 616582730 /nfs/dbraw/zinc/58/27/30/616582730.db2.gz UKKPAQYULDWCEG-UWVGGRQHSA-N 0 3 280.324 0.548 20 10 CCCDHN COC(=O)c1cn(CC[NH2+]Cc2c(C)cccc2[O-])nn1 ZINC000877507200 616958259 /nfs/dbraw/zinc/95/82/59/616958259.db2.gz ABVQJXANOFAKHJ-UHFFFAOYSA-N 0 3 290.323 0.869 20 10 CCCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000858248909 644602759 /nfs/dbraw/zinc/60/27/59/644602759.db2.gz FKDRGTOAUOKJFH-KYZUINATSA-N 0 3 250.298 0.754 20 10 CCCDHN Cc1ccc(O)c(CNC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000862758144 645034786 /nfs/dbraw/zinc/03/47/86/645034786.db2.gz QFTCBLWSVZZOJC-AWEZNQCLSA-N 0 3 289.379 0.707 20 10 CCCDHN C[C@H](O)[C@@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000865739890 645410726 /nfs/dbraw/zinc/41/07/26/645410726.db2.gz XIDWNSYGTYCBNC-NHYWBVRUSA-N 0 3 298.358 0.494 20 10 CCCDHN O=C1OC[C@]2(C[NH2+]Cc3cc(F)ccc3[O-])COCCN12 ZINC000872262995 646231755 /nfs/dbraw/zinc/23/17/55/646231755.db2.gz TUJMTGZYGVGQIM-AWEZNQCLSA-N 0 3 296.298 0.842 20 10 CCCDHN Cc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000876749641 646657087 /nfs/dbraw/zinc/65/70/87/646657087.db2.gz BTZGAUUSFSBGTF-LBPRGKRZSA-N 0 3 284.381 0.824 20 10 CCCDHN C[C@H]1COC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000932494290 649076770 /nfs/dbraw/zinc/07/67/70/649076770.db2.gz PGSXFYMWOVZPKK-SWLSCSKDSA-N 0 3 291.395 0.993 20 10 CCCDHN CN(C)c1ccc(CN2CCOC[C@H](O)C2)c(O)c1 ZINC001232835440 805986238 /nfs/dbraw/zinc/98/62/38/805986238.db2.gz CJNLDSWXVHROCT-CYBMUJFWSA-N 0 3 266.341 0.651 20 10 CCCDHN COC(=O)[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483192 806058795 /nfs/dbraw/zinc/05/87/95/806058795.db2.gz QLIHBXBXXAHXDD-MRVPVSSYSA-N 0 3 267.281 0.798 20 10 CCCDHN NC(=O)NC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482473 806059126 /nfs/dbraw/zinc/05/91/26/806059126.db2.gz OUNKJTWHMOECAG-UHFFFAOYSA-N 0 3 281.312 0.436 20 10 CCCDHN COc1cc(O)c(CN2CC[C@H](CO)[C@@H](O)C2)cc1OC ZINC001236750729 806607459 /nfs/dbraw/zinc/60/74/59/806607459.db2.gz XZMHRGWQLPUUHS-MFKMUULPSA-N 0 3 297.351 0.585 20 10 CCCDHN COc1cc(O)c(CN(C)C[C@H](O)CO)cc1OC ZINC001236752618 806607662 /nfs/dbraw/zinc/60/76/62/806607662.db2.gz YHQSMBUXOMBOSQ-JTQLQIEISA-N 0 3 271.313 0.194 20 10 CCCDHN CCOc1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237046327 806633305 /nfs/dbraw/zinc/63/33/05/806633305.db2.gz AHQPLJHDHZOTRI-BXUZGUMPSA-N 0 3 267.325 0.576 20 10 CCCDHN CCOc1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001237046327 806633311 /nfs/dbraw/zinc/63/33/11/806633311.db2.gz AHQPLJHDHZOTRI-BXUZGUMPSA-N 0 3 267.325 0.576 20 10 CCCDHN CN1CCN(C)CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC001122290119 799188367 /nfs/dbraw/zinc/18/83/67/799188367.db2.gz BVMNPXWZMXGLSV-UHFFFAOYSA-N 0 3 290.411 0.517 20 10 CCCDHN OC[C@H]1CN(Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141156570 799984959 /nfs/dbraw/zinc/98/49/59/799984959.db2.gz NNFQKGSOOFFWJX-MFKMUULPSA-N 0 3 253.298 0.273 20 10 CCCDHN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)CCN1 ZINC001149327882 800248782 /nfs/dbraw/zinc/24/87/82/800248782.db2.gz FKJOZMAWWPNKHO-UHFFFAOYSA-N 0 3 264.325 0.851 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001203621540 803038383 /nfs/dbraw/zinc/03/83/83/803038383.db2.gz WZOJPKCVEKDGOP-GJZGRUSLSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001203621540 803038393 /nfs/dbraw/zinc/03/83/93/803038393.db2.gz WZOJPKCVEKDGOP-GJZGRUSLSA-N 0 3 281.352 0.966 20 10 CCCDHN Oc1ccc([C@@H](O)CNC[C@@H](O)C(F)(F)F)cc1O ZINC001250956627 807624700 /nfs/dbraw/zinc/62/47/00/807624700.db2.gz CQHZVQORUVSMCF-VHSXEESVSA-N 0 3 281.230 0.644 20 10 CCCDHN COC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H]1[NH3+] ZINC001236345848 817272175 /nfs/dbraw/zinc/27/21/75/817272175.db2.gz VEOONOSMONMNLV-WDEREUQCSA-N 0 3 284.743 0.978 20 10 CCCDHN C[C@@H]1[C@@H](NC(=O)c2cccc(O)c2O)CCN1C ZINC000719336384 849307778 /nfs/dbraw/zinc/30/77/78/849307778.db2.gz IDIMAKNUHYKECJ-SCZZXKLOSA-N 0 3 250.298 0.920 20 10 CCCDHN CN1CCOC[C@@]1(CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC001119977882 856945683 /nfs/dbraw/zinc/94/56/83/856945683.db2.gz UPCDQLQQDXKBRU-AWEZNQCLSA-N 0 3 284.331 0.314 20 10 CCCDHN CN1C(=O)C(=CNc2ccncc2)C(=O)N(C)C1=O ZINC000048403137 348407946 /nfs/dbraw/zinc/40/79/46/348407946.db2.gz PWQOJZSTUKRFOG-UHFFFAOYSA-N 0 3 260.253 0.428 20 10 CCCDHN CNCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000178867731 351250406 /nfs/dbraw/zinc/25/04/06/351250406.db2.gz ZTCJDVZVRXJIGZ-UHFFFAOYSA-N 0 3 281.331 0.702 20 10 CCCDHN C[C@H](O)CN1CCN(Cc2ccccc2O)CC1 ZINC000189838544 351704727 /nfs/dbraw/zinc/70/47/27/351704727.db2.gz VTEIUMUQBOEALW-LBPRGKRZSA-N 0 3 250.342 0.891 20 10 CCCDHN C[C@@H](CC(N)=O)NCc1ccc(N2CCOCC2)cc1 ZINC000135720131 389261272 /nfs/dbraw/zinc/26/12/72/389261272.db2.gz VUVASKLOYKBUAT-LBPRGKRZSA-N 0 3 277.368 0.877 20 10 CCCDHN Cc1cccc(CN2CC[C@H](NS(C)(=O)=O)C2)c1O ZINC000180333440 389669043 /nfs/dbraw/zinc/66/90/43/389669043.db2.gz AADYJBWVBGEPQE-LBPRGKRZSA-N 0 3 284.381 0.824 20 10 CCCDHN CCCOc1ccc(CN2C[C@@H](O)[C@H](O)C2)c(O)c1 ZINC000278299932 520351142 /nfs/dbraw/zinc/35/11/42/520351142.db2.gz DHOYTFUORPLGIB-ZIAGYGMSSA-N 0 3 267.325 0.718 20 10 CCCDHN CN1CCN(C(=O)CC[N@H+](C)Cc2ccccc2[O-])CC1 ZINC000275196234 522672719 /nfs/dbraw/zinc/67/27/19/522672719.db2.gz FETWUWZXSIVANK-UHFFFAOYSA-N 0 3 291.395 0.988 20 10 CCCDHN CN1CCN(C(=O)CC[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC000275196234 522672734 /nfs/dbraw/zinc/67/27/34/522672734.db2.gz FETWUWZXSIVANK-UHFFFAOYSA-N 0 3 291.395 0.988 20 10 CCCDHN COc1cc(O)c(CN2C[C@@H](O)C[C@H]2CO)cc1OC ZINC000274900940 522778365 /nfs/dbraw/zinc/77/83/65/522778365.db2.gz HALBRMOZXVWXFY-QWRGUYRKSA-N 0 3 283.324 0.337 20 10 CCCDHN CN1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1=O ZINC000084061317 524012868 /nfs/dbraw/zinc/01/28/68/524012868.db2.gz VFJIZNXPKJMVGK-JTQLQIEISA-N 0 3 278.308 0.831 20 10 CCCDHN CO[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]1OC ZINC000792713633 581268927 /nfs/dbraw/zinc/26/89/27/581268927.db2.gz MVACLQNZTRORKX-YUELXQCFSA-N 0 3 295.335 0.664 20 10 CCCDHN NS(=O)(=O)[C@H]1CCN(Cc2ccccc2O)C1 ZINC000785986822 581426441 /nfs/dbraw/zinc/42/64/41/581426441.db2.gz YTJNITIBUFZXBS-JTQLQIEISA-N 0 3 256.327 0.255 20 10 CCCDHN COc1cc(O)c(CN[C@H](C)C(=O)N(C)OC)cc1OC ZINC000862542248 617207831 /nfs/dbraw/zinc/20/78/31/617207831.db2.gz JWACYNMJBJMFRW-SECBINFHSA-N 0 3 298.339 0.907 20 10 CCCDHN COc1ccc(CNCCS(C)(=O)=O)c(O)c1OC ZINC000892688991 617257768 /nfs/dbraw/zinc/25/77/68/617257768.db2.gz DNGRSUXSBUBRLD-UHFFFAOYSA-N 0 3 289.353 0.544 20 10 CCCDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)N)cc1 ZINC000846697175 617267165 /nfs/dbraw/zinc/26/71/65/617267165.db2.gz LYZYGXRPPMKPJI-LLVKDONJSA-N 0 3 265.357 0.937 20 10 CCCDHN COc1ccc(N(C)CCN(C)C(=O)[C@H](CN)OC)cc1 ZINC000884385986 617267182 /nfs/dbraw/zinc/26/71/82/617267182.db2.gz AYQIEYQKRFUJQY-AWEZNQCLSA-N 0 3 295.383 0.564 20 10 CCCDHN COc1ccc(N2CCN(C(=O)[C@H](C)N)CC2)c(OC)c1 ZINC000877228140 617267610 /nfs/dbraw/zinc/26/76/10/617267610.db2.gz UUWFDUPJACBJOD-NSHDSACASA-N 0 3 293.367 0.700 20 10 CCCDHN CC(=O)c1cc(F)cc(CN2CCO[C@@H](C[NH3+])C2)c1[O-] ZINC000843367995 614249394 /nfs/dbraw/zinc/24/93/94/614249394.db2.gz MSPOKZWPALAKGK-LBPRGKRZSA-N 0 3 282.315 0.893 20 10 CCCDHN CCOc1ccc(C[NH2+]C[C@H]2CNCCO2)c([O-])c1 ZINC000841099260 615511057 /nfs/dbraw/zinc/51/10/57/615511057.db2.gz NWCOIIAOKIBRNK-CYBMUJFWSA-N 0 3 266.341 0.869 20 10 CCCDHN CN(C)C[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000854465054 615937892 /nfs/dbraw/zinc/93/78/92/615937892.db2.gz NZHSPRFJUVPWRA-DUMNWFOQSA-N 0 3 280.324 0.150 20 10 CCCDHN CN(C)c1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000808751105 616014527 /nfs/dbraw/zinc/01/45/27/616014527.db2.gz RERWXMMXUDJYRH-HIFRSBDPSA-N 0 3 264.369 0.928 20 10 CCCDHN COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc(F)ccc2O)C1 ZINC000843435187 616478041 /nfs/dbraw/zinc/47/80/41/616478041.db2.gz QWQAOWQTMIGCHE-PWSUYJOCSA-N 0 3 283.299 0.887 20 10 CCCDHN COC(=O)CNC(=O)CNCc1cccc(C)c1O ZINC000877706217 616597836 /nfs/dbraw/zinc/59/78/36/616597836.db2.gz HYLMVPYFWPODEO-UHFFFAOYSA-N 0 3 266.297 0.079 20 10 CCCDHN CNS(=O)(=O)CCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877688887 617012638 /nfs/dbraw/zinc/01/26/38/617012638.db2.gz IVKISZKSMFQUPL-UHFFFAOYSA-N 0 3 272.370 0.730 20 10 CCCDHN CCOc1ccc(O)c(CN2C[C@H](O)[C@@H](O)C2)c1 ZINC000278443807 623164661 /nfs/dbraw/zinc/16/46/61/623164661.db2.gz WLEGHOIVCLMMLD-STQMWFEESA-N 0 3 253.298 0.328 20 10 CCCDHN C[C@@]1(NCc2ccc(N3CCOCC3)cc2)CCNC1=O ZINC000897873004 633249866 /nfs/dbraw/zinc/24/98/66/633249866.db2.gz LLKLELIFDKIVRX-MRXNPFEDSA-N 0 3 289.379 0.891 20 10 CCCDHN C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000927021236 633577559 /nfs/dbraw/zinc/57/75/59/633577559.db2.gz BJZYIDWYUFNSMA-PSASIEDQSA-N 0 3 291.344 0.587 20 10 CCCDHN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])NS(C)(=O)=O ZINC000226602442 636989445 /nfs/dbraw/zinc/98/94/45/636989445.db2.gz WHZUXLJYBPJEGU-UHFFFAOYSA-N 0 3 290.360 0.949 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000839159643 640307026 /nfs/dbraw/zinc/30/70/26/640307026.db2.gz OEDSUSOLJRAYAB-CYBMUJFWSA-N 0 3 255.289 0.851 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000839159643 640307030 /nfs/dbraw/zinc/30/70/30/640307030.db2.gz OEDSUSOLJRAYAB-CYBMUJFWSA-N 0 3 255.289 0.851 20 10 CCCDHN Nc1ccc(CCNC(=O)C[C@@H]2CNCCO2)cc1 ZINC000832659295 642509982 /nfs/dbraw/zinc/50/99/82/642509982.db2.gz YPCKEAHLLROSJH-CYBMUJFWSA-N 0 3 263.341 0.306 20 10 CCCDHN O=C1CNCCN1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000843066072 642985556 /nfs/dbraw/zinc/98/55/56/642985556.db2.gz RZCZJRWAPYCLLB-AWEZNQCLSA-N 0 3 289.379 0.788 20 10 CCCDHN O=C1CNCCN1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000843066072 642985564 /nfs/dbraw/zinc/98/55/64/642985564.db2.gz RZCZJRWAPYCLLB-AWEZNQCLSA-N 0 3 289.379 0.788 20 10 CCCDHN C[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868642 644033489 /nfs/dbraw/zinc/03/34/89/644033489.db2.gz KUPYYOFHJCHXSQ-NSHDSACASA-N 0 3 277.368 0.611 20 10 CCCDHN O=C1OC[C@@]2(C[NH2+]Cc3cc(F)ccc3[O-])COCCN12 ZINC000872262996 646232012 /nfs/dbraw/zinc/23/20/12/646232012.db2.gz TUJMTGZYGVGQIM-CQSZACIVSA-N 0 3 296.298 0.842 20 10 CCCDHN O[C@@H]1COC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000883135785 647494538 /nfs/dbraw/zinc/49/45/38/647494538.db2.gz MVHMXLRMCCNCTH-HZPDHXFCSA-N 0 3 292.379 0.497 20 10 CCCDHN COc1cc(CN2CCO[C@H](CN(C)C)C2)c(O)cc1O ZINC001231634604 805821861 /nfs/dbraw/zinc/82/18/61/805821861.db2.gz PPIUZZUOQFIGJY-GFCCVEGCSA-N 0 3 296.367 0.869 20 10 CCCDHN C[C@@]1(CO)CCN(Cc2cc(O)c(O)cc2O)C[C@H]1O ZINC001233482948 806058464 /nfs/dbraw/zinc/05/84/64/806058464.db2.gz IMWIXWMDCKSDPE-KGLIPLIRSA-N 0 3 283.324 0.369 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1c(C)cc(OC)cc1O ZINC001236058322 806541652 /nfs/dbraw/zinc/54/16/52/806541652.db2.gz NSQGHQMFQBHKEK-ZDUSSCGKSA-N 0 3 294.351 0.656 20 10 CCCDHN COc1cc(O)c(CN2C[C@H](O)[C@@H](CO)C2)c(OC)c1 ZINC001141031982 799973955 /nfs/dbraw/zinc/97/39/55/799973955.db2.gz PICYJXGZMSGISG-RNCFNFMXSA-N 0 3 283.324 0.194 20 10 CCCDHN COc1ccc(O)c(CN2CCOC[C@](C)(O)C2)c1 ZINC001203669544 803041965 /nfs/dbraw/zinc/04/19/65/803041965.db2.gz FAONFNCXGPMINQ-CQSZACIVSA-N 0 3 267.325 0.984 20 10 CCCDHN CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000400265502 803766390 /nfs/dbraw/zinc/76/63/90/803766390.db2.gz VQJGOGWEEAQRTO-LLVKDONJSA-N 0 3 270.354 0.516 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(C)ccc1O ZINC001236054599 817046553 /nfs/dbraw/zinc/04/65/53/817046553.db2.gz FOVFPGSUTUVITK-LBPRGKRZSA-N 0 3 264.325 0.647 20 10 CCCDHN COc1cc(C)c(C[NH2+]C[C@H](O)Cn2ccnn2)c([O-])c1 ZINC001182239074 843759524 /nfs/dbraw/zinc/75/95/24/843759524.db2.gz TYZMDXQRUBYUPH-NSHDSACASA-N 0 3 292.339 0.451 20 10 CCCDHN COc1ccc(CN2C[C@@H](O)C[C@H]2CO)c(O)c1OC ZINC001120040334 856967837 /nfs/dbraw/zinc/96/78/37/856967837.db2.gz WQYZOSDXMVOOFS-QWRGUYRKSA-N 0 3 283.324 0.337 20 10 CCCDHN CN1CCC12CN(Cc1c(O)cc(O)cc1O)C2 ZINC001275112386 900995970 /nfs/dbraw/zinc/99/59/70/900995970.db2.gz DCCXOQSIGCCBJB-UHFFFAOYSA-N 0 3 250.298 0.693 20 10 CCCDHN O=C(NCc1c([O-])cccc1F)[C@@]1(F)CC[NH2+]C1 ZINC001342612851 923019338 /nfs/dbraw/zinc/01/93/38/923019338.db2.gz IYGZDNUWXZUTMC-GFCCVEGCSA-N 0 3 256.252 0.849 20 10 CCCDHN O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1c([O-])cccc1F ZINC001344822784 923698392 /nfs/dbraw/zinc/69/83/92/923698392.db2.gz XVUAEVBQWNKKDW-LLVKDONJSA-N 0 3 295.314 0.016 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]CCOCCO)OCO2 ZINC000042879580 348299964 /nfs/dbraw/zinc/29/99/64/348299964.db2.gz FXVOKMPUFMRQOV-UHFFFAOYSA-N 0 3 255.270 0.219 20 10 CCCDHN CCN(CCO)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000187569562 351546776 /nfs/dbraw/zinc/54/67/76/351546776.db2.gz UXAXRPJUWJUQKJ-UHFFFAOYSA-N 0 3 268.357 0.805 20 10 CCCDHN CNS(=O)(=O)CCNCc1cc(C)c(C)cc1O ZINC000190309684 351717865 /nfs/dbraw/zinc/71/78/65/351717865.db2.gz JORRFWINRYRKIA-UHFFFAOYSA-N 0 3 272.370 0.648 20 10 CCCDHN CO[C@@H](CN)C(=O)NCc1ccc(N(C)C)cc1 ZINC000227374195 352048490 /nfs/dbraw/zinc/04/84/90/352048490.db2.gz ZVWXGNPDGFGODW-LBPRGKRZSA-N 0 3 251.330 0.343 20 10 CCCDHN CNS(=O)(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000272247628 353046444 /nfs/dbraw/zinc/04/64/44/353046444.db2.gz HQLSQQXDNWFUPJ-UHFFFAOYSA-N 0 3 284.381 0.906 20 10 CCCDHN CCOc1ccc(O)c(CN(C)[C@@H]2COC[C@H]2O)c1 ZINC000289224474 353687643 /nfs/dbraw/zinc/68/76/43/353687643.db2.gz CQNFMICDPKNUAU-TZMCWYRMSA-N 0 3 267.325 0.982 20 10 CCCDHN O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)N1 ZINC000193468965 389070515 /nfs/dbraw/zinc/07/05/15/389070515.db2.gz NGZXNWAHGUWSKI-AWEZNQCLSA-N 0 3 275.308 0.566 20 10 CCCDHN O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)N1 ZINC000193468965 389070518 /nfs/dbraw/zinc/07/05/18/389070518.db2.gz NGZXNWAHGUWSKI-AWEZNQCLSA-N 0 3 275.308 0.566 20 10 CCCDHN COC[C@H](CCO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224844076 389145047 /nfs/dbraw/zinc/14/50/47/389145047.db2.gz KMHLWQJOZBGARQ-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN C[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132915209 389228720 /nfs/dbraw/zinc/22/87/20/389228720.db2.gz VJYQDLHMWDBMOA-SNVBAGLBSA-N 0 3 281.331 0.626 20 10 CCCDHN C[NH+](C)C[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000269760865 389426314 /nfs/dbraw/zinc/42/63/14/389426314.db2.gz BAGMTADJGQIVLU-ZDUSSCGKSA-N 0 3 283.328 0.703 20 10 CCCDHN CNC(=O)CC[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000180030474 389665430 /nfs/dbraw/zinc/66/54/30/389665430.db2.gz NVZYLPWKNDACFO-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN CNC(=O)CC[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000180030474 389665434 /nfs/dbraw/zinc/66/54/34/389665434.db2.gz NVZYLPWKNDACFO-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN CNS(=O)(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000187188301 262391753 /nfs/dbraw/zinc/39/17/53/262391753.db2.gz NONFSIAUXSWIRB-NSHDSACASA-N 0 3 285.413 0.952 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C1(CO)CCOCC1)OCO2 ZINC000227213828 333278116 /nfs/dbraw/zinc/27/81/16/333278116.db2.gz UKZSXLKYTQRALL-UHFFFAOYSA-N 0 3 281.308 0.752 20 10 CCCDHN C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227980065 333292025 /nfs/dbraw/zinc/29/20/25/333292025.db2.gz DXXWPQYVFDUJOI-XPTSAGLGSA-N 0 3 281.308 0.750 20 10 CCCDHN CO[C@H](CN)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000289467261 523931250 /nfs/dbraw/zinc/93/12/50/523931250.db2.gz ALVRPDTYBBQZBE-CQSZACIVSA-N 0 3 277.368 0.877 20 10 CCCDHN COC[C@@](C)(CO)NCc1cc(OC)c(OC)cc1O ZINC000777483225 581116650 /nfs/dbraw/zinc/11/66/50/581116650.db2.gz ITIMFSFAYQNGGO-CQSZACIVSA-N 0 3 285.340 0.896 20 10 CCCDHN CCOc1ccc(C[NH2+][C@H](CO)COC)c([O-])c1 ZINC000793325781 581290141 /nfs/dbraw/zinc/29/01/41/581290141.db2.gz UUVPPDGGLUCFOC-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN COc1ccc(O)c(CNC(=S)NCCN(C)C)c1 ZINC000733906341 581529992 /nfs/dbraw/zinc/52/99/92/581529992.db2.gz KPJVGRJSNDNCTR-UHFFFAOYSA-N 0 3 283.397 0.927 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCOC1 ZINC000754843268 581612439 /nfs/dbraw/zinc/61/24/39/581612439.db2.gz PRKDYGHERVZXRV-ZDUSSCGKSA-N 0 3 253.298 0.642 20 10 CCCDHN CCOc1ccc(O)c(CN2C[C@H](O)C[C@H](O)C2)c1 ZINC000769564121 581696217 /nfs/dbraw/zinc/69/62/17/581696217.db2.gz KSMIDUXXYFEXAD-TXEJJXNPSA-N 0 3 267.325 0.718 20 10 CCCDHN Cc1cc(O)c(CN2C[C@H](O)C[C@H](O)C2)cc1C ZINC000769564280 581696276 /nfs/dbraw/zinc/69/62/76/581696276.db2.gz OMXOTPBLFRJTDS-BETUJISGSA-N 0 3 251.326 0.937 20 10 CCCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1C ZINC000769564280 581696278 /nfs/dbraw/zinc/69/62/78/581696278.db2.gz OMXOTPBLFRJTDS-BETUJISGSA-N 0 3 251.326 0.937 20 10 CCCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1C ZINC000769564280 581696280 /nfs/dbraw/zinc/69/62/80/581696280.db2.gz OMXOTPBLFRJTDS-BETUJISGSA-N 0 3 251.326 0.937 20 10 CCCDHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000775369130 582021311 /nfs/dbraw/zinc/02/13/11/582021311.db2.gz KNQUGLQLNDBOLS-BDAKNGLRSA-N 0 3 295.339 0.896 20 10 CCCDHN C[C@@H](NCC(=O)N1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000775829928 582041807 /nfs/dbraw/zinc/04/18/07/582041807.db2.gz AXZYIEFKYRMTEL-LLVKDONJSA-N 0 3 290.367 0.955 20 10 CCCDHN COc1ccc(CNC(=O)C[C@H]2CNCCO2)c(O)c1 ZINC000832178869 617253863 /nfs/dbraw/zinc/25/38/63/617253863.db2.gz YNHSCXDYTIDWQM-LBPRGKRZSA-N 0 3 280.324 0.396 20 10 CCCDHN COc1cccc(CN2CCN(CCO)C[C@@H]2C)c1O ZINC000825338651 617297406 /nfs/dbraw/zinc/29/74/06/617297406.db2.gz SKXYPKFLUHPLAS-LBPRGKRZSA-N 0 3 280.368 0.899 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]CCN1CCNC1=O ZINC000886324212 617305160 /nfs/dbraw/zinc/30/51/60/617305160.db2.gz CKEAMQQRUPGXTC-UHFFFAOYSA-N 0 3 265.313 0.516 20 10 CCCDHN CC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000130346584 615522752 /nfs/dbraw/zinc/52/27/52/615522752.db2.gz BCOZDVXMTYEIMG-CQSZACIVSA-N 0 3 277.368 0.877 20 10 CCCDHN C[NH+](C)CCCS(=O)(=O)NCc1c([O-])cccc1F ZINC000921451691 615886160 /nfs/dbraw/zinc/88/61/60/615886160.db2.gz UTFMUWGCTCCSFL-UHFFFAOYSA-N 0 3 290.360 0.902 20 10 CCCDHN CN(C)C[C@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000854465057 615937913 /nfs/dbraw/zinc/93/79/13/615937913.db2.gz NZHSPRFJUVPWRA-VLWUPBBWSA-N 0 3 280.324 0.150 20 10 CCCDHN CN1C[C@H](O)C[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000924990489 616448892 /nfs/dbraw/zinc/44/88/92/616448892.db2.gz VXWKHQXUUANTAH-USKJLILSSA-N 0 3 292.335 0.292 20 10 CCCDHN COCC[C@H](N)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000884309877 616678594 /nfs/dbraw/zinc/67/85/94/616678594.db2.gz IAEJWSAEBIMWPT-CABZTGNLSA-N 0 3 282.340 0.942 20 10 CCCDHN CNC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000817414746 616826963 /nfs/dbraw/zinc/82/69/63/616826963.db2.gz JOBNLNZZRLHXMN-SNVBAGLBSA-N 0 3 264.325 0.969 20 10 CCCDHN CNC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000817414746 616826966 /nfs/dbraw/zinc/82/69/66/616826966.db2.gz JOBNLNZZRLHXMN-SNVBAGLBSA-N 0 3 264.325 0.969 20 10 CCCDHN C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccccc1[O-] ZINC000903279105 634549842 /nfs/dbraw/zinc/54/98/42/634549842.db2.gz ILKOIXJSVAKBTF-SWLSCSKDSA-N 0 3 280.368 0.736 20 10 CCCDHN O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccccc1[O-] ZINC000903967205 634701395 /nfs/dbraw/zinc/70/13/95/634701395.db2.gz ANMAHHZMGROYIM-GFCCVEGCSA-N 0 3 284.381 0.259 20 10 CCCDHN C[C@]1(NCc2ccc(N3CCOCC3)cc2)CCNC1=O ZINC000897873000 633249405 /nfs/dbraw/zinc/24/94/05/633249405.db2.gz LLKLELIFDKIVRX-INIZCTEOSA-N 0 3 289.379 0.891 20 10 CCCDHN C[C@@]1(NCc2cc3c(cc2O)OCO3)CCNC1=O ZINC000897872367 633249447 /nfs/dbraw/zinc/24/94/47/633249447.db2.gz SWRONBGSYBBLNN-CYBMUJFWSA-N 0 3 264.281 0.489 20 10 CCCDHN COCCNCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000166478083 636927501 /nfs/dbraw/zinc/92/75/01/636927501.db2.gz OOCGWUFRHMUJLS-UHFFFAOYSA-N 0 3 291.395 0.921 20 10 CCCDHN Nc1ccc(CCNC(=O)CNC[C@H]2CCCO2)cc1 ZINC000238125744 638264442 /nfs/dbraw/zinc/26/44/42/638264442.db2.gz XNMUFZKMNOMSMC-CQSZACIVSA-N 0 3 277.368 0.696 20 10 CCCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817418935 641258447 /nfs/dbraw/zinc/25/84/47/641258447.db2.gz LLITWRXMMDKGSG-SNVBAGLBSA-N 0 3 289.339 0.882 20 10 CCCDHN Cc1ccc(C[NH2+]CCOCCS(C)(=O)=O)c([O-])c1 ZINC000877045280 646722149 /nfs/dbraw/zinc/72/21/49/646722149.db2.gz UTLSKNCKUVKNIF-UHFFFAOYSA-N 0 3 287.381 0.851 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719460 646836516 /nfs/dbraw/zinc/83/65/16/646836516.db2.gz CJBRRFDJUSWOCY-TXEJJXNPSA-N 0 3 274.320 0.747 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719460 646836518 /nfs/dbraw/zinc/83/65/18/646836518.db2.gz CJBRRFDJUSWOCY-TXEJJXNPSA-N 0 3 274.320 0.747 20 10 CCCDHN O=C(N[C@@H](CO)CN1CCCC1)c1cccc(O)c1O ZINC000879994438 647141891 /nfs/dbraw/zinc/14/18/91/647141891.db2.gz FOXSMXNUJDMVMO-SNVBAGLBSA-N 0 3 280.324 0.284 20 10 CCCDHN C[C@@]1(CO)CCN(Cc2cc(O)c(O)cc2O)C[C@@H]1O ZINC001233482947 806059212 /nfs/dbraw/zinc/05/92/12/806059212.db2.gz IMWIXWMDCKSDPE-KBPBESRZSA-N 0 3 283.324 0.369 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1c(C)ccc(C)c1O ZINC001236055213 806537952 /nfs/dbraw/zinc/53/79/52/806537952.db2.gz LGGDTVZXGKXQEB-ZDUSSCGKSA-N 0 3 278.352 0.956 20 10 CCCDHN COc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001236807646 806612853 /nfs/dbraw/zinc/61/28/53/806612853.db2.gz HLGHGPBHANVWBH-QMTHXVAHSA-N 0 3 267.325 0.494 20 10 CCCDHN COc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001236807646 806612858 /nfs/dbraw/zinc/61/28/58/806612858.db2.gz HLGHGPBHANVWBH-QMTHXVAHSA-N 0 3 267.325 0.494 20 10 CCCDHN COc1cc(CN2CC[C@@H](O)C2)c(O)c(OC)c1 ZINC001237674397 806708210 /nfs/dbraw/zinc/70/82/10/806708210.db2.gz GAUQEFYFQRHIAL-SNVBAGLBSA-N 0 3 253.298 0.976 20 10 CCCDHN C[C@@]1(CO)CCN(Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156123 799984759 /nfs/dbraw/zinc/98/47/59/799984759.db2.gz FZRUFVSRKGLSHN-KBPBESRZSA-N 0 3 267.325 0.663 20 10 CCCDHN COc1cccc(CN2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001203589048 803035282 /nfs/dbraw/zinc/03/52/82/803035282.db2.gz BXJMKOBQSVIALC-UKRRQHHQSA-N 0 3 281.352 0.966 20 10 CCCDHN CN1C[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]2C1=O ZINC001203877163 803051067 /nfs/dbraw/zinc/05/10/67/803051067.db2.gz NMOYPLXPLAWZQU-MNOVXSKESA-N 0 3 262.309 0.618 20 10 CCCDHN COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204281803 803077131 /nfs/dbraw/zinc/07/71/31/803077131.db2.gz KOAOOWXHWXXUKH-LBPRGKRZSA-N 0 3 281.308 0.862 20 10 CCCDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204281803 803077138 /nfs/dbraw/zinc/07/71/38/803077138.db2.gz KOAOOWXHWXXUKH-LBPRGKRZSA-N 0 3 281.308 0.862 20 10 CCCDHN COc1cc(CN2C[C@@H](F)[C@@H](N)C2)c(O)cc1O ZINC001204830539 803103301 /nfs/dbraw/zinc/10/33/01/803103301.db2.gz WCEIQZZWZBQMIJ-BDAKNGLRSA-N 0 3 256.277 0.587 20 10 CCCDHN O=C(N[C@H]1CCC[NH2+]C1)c1cc(O)c([O-])c(O)c1 ZINC001220894829 804694826 /nfs/dbraw/zinc/69/48/26/804694826.db2.gz LSSRKVNRDDAKSI-QMMMGPOBSA-N 0 3 252.270 0.285 20 10 CCCDHN COC(=O)Cc1ccc(CN2CC(C)(CO)C2)c(O)c1 ZINC001249172574 807546479 /nfs/dbraw/zinc/54/64/79/807546479.db2.gz OMTORSWBBRJKBA-UHFFFAOYSA-N 0 3 279.336 0.922 20 10 CCCDHN COC(=O)Cc1ccc(CN2CCC[C@H]2C(N)=O)c(O)c1 ZINC001249173767 807546595 /nfs/dbraw/zinc/54/65/95/807546595.db2.gz VUPYOYRWWFDPIB-LBPRGKRZSA-N 0 3 292.335 0.557 20 10 CCCDHN Oc1ccc([C@H](O)CNC[C@H](O)C(F)(F)F)cc1O ZINC001250956628 807624584 /nfs/dbraw/zinc/62/45/84/807624584.db2.gz CQHZVQORUVSMCF-ZJUUUORDSA-N 0 3 281.230 0.644 20 10 CCCDHN OC[C@@H]1C[C@@H](F)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144499170 840065547 /nfs/dbraw/zinc/06/55/47/840065547.db2.gz CXZYXVYOAPOYTN-RKDXNWHRSA-N 0 3 271.288 0.956 20 10 CCCDHN COc1ccc(O)c(CN2CC(N3CCN(C)CC3)C2)c1 ZINC001203680861 844865114 /nfs/dbraw/zinc/86/51/14/844865114.db2.gz HQFLMHSJNBKMMK-UHFFFAOYSA-N 0 3 291.395 0.832 20 10 CCCDHN COCCN1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000037826853 849263086 /nfs/dbraw/zinc/26/30/86/849263086.db2.gz RYDVOCCDBZIVTB-UHFFFAOYSA-N 0 3 291.395 0.992 20 10 CCCDHN COc1cccc(CNC[C@H](C)S(C)(=O)=O)c1O ZINC000697579586 855621117 /nfs/dbraw/zinc/62/11/17/855621117.db2.gz MNDAEJFUCUKAHI-VIFPVBQESA-N 0 3 273.354 0.924 20 10 CCCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2COC[C@H]2O)c1 ZINC000295974271 353926501 /nfs/dbraw/zinc/92/65/01/353926501.db2.gz ODHFHIAFGNOKIT-XTWCZFFVSA-N 0 3 253.298 0.811 20 10 CCCDHN Cc1cccc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c1O ZINC000373968225 267730552 /nfs/dbraw/zinc/73/05/52/267730552.db2.gz JUTDMMPPTMJGJA-STQMWFEESA-N 0 3 276.336 0.790 20 10 CCCDHN CN(C)S(=O)(=O)NCCNCc1ccc2c(c1)CCO2 ZINC000291388874 328534208 /nfs/dbraw/zinc/53/42/08/328534208.db2.gz CHOPWGDVTANCKN-UHFFFAOYSA-N 0 3 299.396 0.107 20 10 CCCDHN COc1cccc(O)c1CN[C@H]1CC(=O)N(C)C1 ZINC000726797689 581252973 /nfs/dbraw/zinc/25/29/73/581252973.db2.gz QEYPCVAPJDZXSG-VIFPVBQESA-N 0 3 250.298 0.721 20 10 CCCDHN CCOCc1cc(CNC[C@@H](O)CO)ccc1OC ZINC000785979837 581425376 /nfs/dbraw/zinc/42/53/76/581425376.db2.gz CVJUJOMDZAJSOT-CYBMUJFWSA-N 0 3 269.341 0.675 20 10 CCCDHN C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000756491711 581668392 /nfs/dbraw/zinc/66/83/92/581668392.db2.gz XZJAVDLXZRIFRP-LLVKDONJSA-N 0 3 295.358 0.956 20 10 CCCDHN NCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746318020 581910407 /nfs/dbraw/zinc/91/04/07/581910407.db2.gz XGXBMJGAKMUUFC-UHFFFAOYSA-N 0 3 281.331 0.362 20 10 CCCDHN CCNC(=O)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000775371506 582021379 /nfs/dbraw/zinc/02/13/79/582021379.db2.gz ZCCXVBLTYCDWSK-SECBINFHSA-N 0 3 295.339 0.897 20 10 CCCDHN CNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764604105 582058443 /nfs/dbraw/zinc/05/84/43/582058443.db2.gz UUWUWTVMHGRCNI-LBPRGKRZSA-N 0 3 277.368 0.920 20 10 CCCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768443585 582106628 /nfs/dbraw/zinc/10/66/28/582106628.db2.gz SXESTAHFVRSQKT-ZANVPECISA-N 0 3 293.319 0.813 20 10 CCCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768443585 582106629 /nfs/dbraw/zinc/10/66/29/582106629.db2.gz SXESTAHFVRSQKT-ZANVPECISA-N 0 3 293.319 0.813 20 10 CCCDHN COCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439345 582106633 /nfs/dbraw/zinc/10/66/33/582106633.db2.gz FYVRVTRCAJAVGP-GFCCVEGCSA-N 0 3 253.298 0.896 20 10 CCCDHN COCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439345 582106634 /nfs/dbraw/zinc/10/66/34/582106634.db2.gz FYVRVTRCAJAVGP-GFCCVEGCSA-N 0 3 253.298 0.896 20 10 CCCDHN COc1ccc(CN[C@H]2CCNC2=O)c(O)c1OC ZINC000895301795 617259996 /nfs/dbraw/zinc/25/99/96/617259996.db2.gz MSWLTBPRCMFUHB-VIFPVBQESA-N 0 3 266.297 0.388 20 10 CCCDHN CN(C)c1ccc([C@@H](CNC(=O)CCO)N(C)C)cc1 ZINC000903044559 616019054 /nfs/dbraw/zinc/01/90/54/616019054.db2.gz AQZLTIRTJBDPHZ-CQSZACIVSA-N 0 3 279.384 0.854 20 10 CCCDHN C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000895327148 632053765 /nfs/dbraw/zinc/05/37/65/632053765.db2.gz ANBORKZZKVQHKZ-DGCLKSJQSA-N 0 3 255.289 0.849 20 10 CCCDHN C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000895327148 632053775 /nfs/dbraw/zinc/05/37/75/632053775.db2.gz ANBORKZZKVQHKZ-DGCLKSJQSA-N 0 3 255.289 0.849 20 10 CCCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCNC2=O)c1 ZINC000182451102 638482894 /nfs/dbraw/zinc/48/28/94/638482894.db2.gz OSMQFSGKRCLBCI-LDYMZIIASA-N 0 3 250.298 0.940 20 10 CCCDHN COc1cc(O)c(CN2CCC(CO)(CO)C2)cc1OC ZINC000827474650 642008552 /nfs/dbraw/zinc/00/85/52/642008552.db2.gz HXZRQEZTGKVUFL-UHFFFAOYSA-N 0 3 297.351 0.586 20 10 CCCDHN COc1cc(O)c(CN2CCOC3(CNC3)C2)cc1OC ZINC000853249060 644095228 /nfs/dbraw/zinc/09/52/28/644095228.db2.gz MRGKKRACPYTNSK-UHFFFAOYSA-N 0 3 294.351 0.584 20 10 CCCDHN C[C@@H](NC(=O)C[C@@H]1CNCCO1)c1ccccc1O ZINC000870988407 646074034 /nfs/dbraw/zinc/07/40/34/646074034.db2.gz OSFMEPFKFRVBJO-GHMZBOCLSA-N 0 3 264.325 0.948 20 10 CCCDHN Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([O-])c1 ZINC000877567739 646824943 /nfs/dbraw/zinc/82/49/43/646824943.db2.gz QWZPBEBZSRRCNX-PHIMTYICSA-N 0 3 260.293 0.405 20 10 CCCDHN Cc1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([O-])c1 ZINC000877567739 646824947 /nfs/dbraw/zinc/82/49/47/646824947.db2.gz QWZPBEBZSRRCNX-PHIMTYICSA-N 0 3 260.293 0.405 20 10 CCCDHN C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccccc1[O-] ZINC000877756523 646840518 /nfs/dbraw/zinc/84/05/18/646840518.db2.gz PBAROFOUWXCWAA-SNVBAGLBSA-N 0 3 289.335 0.640 20 10 CCCDHN C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccccc1[O-] ZINC000879649984 647089915 /nfs/dbraw/zinc/08/99/15/647089915.db2.gz WLWBXBORTDHTOE-SNVBAGLBSA-N 0 3 277.324 0.985 20 10 CCCDHN CN(C)c1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000090025001 649666404 /nfs/dbraw/zinc/66/64/04/649666404.db2.gz YFVFRRXSFAIDNP-ZDUSSCGKSA-N 0 3 275.352 0.990 20 10 CCCDHN CCc1ccc(CN2CCNC[C@H]2C(=O)OC)c(O)c1 ZINC001236057864 806541455 /nfs/dbraw/zinc/54/14/55/806541455.db2.gz IDZFMALWTKNNBC-ZDUSSCGKSA-N 0 3 278.352 0.901 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001237484976 806673636 /nfs/dbraw/zinc/67/36/36/806673636.db2.gz KTLAXBOLBDYEED-BXUZGUMPSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001237484976 806673638 /nfs/dbraw/zinc/67/36/38/806673638.db2.gz KTLAXBOLBDYEED-BXUZGUMPSA-N 0 3 251.326 0.876 20 10 CCCDHN OC[C@@H]1CCN(Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156021 799984353 /nfs/dbraw/zinc/98/43/53/799984353.db2.gz CXYZDQPQPMVLIC-TVQRCGJNSA-N 0 3 253.298 0.273 20 10 CCCDHN OC[C@H]1CCN(Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156014 799984456 /nfs/dbraw/zinc/98/44/56/799984456.db2.gz CXYZDQPQPMVLIC-NOZJJQNGSA-N 0 3 253.298 0.273 20 10 CCCDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)C[C@H]1O ZINC001206481707 803251352 /nfs/dbraw/zinc/25/13/52/803251352.db2.gz ZGNLSNILEGSMHJ-QPUJVOFHSA-N 0 3 272.732 0.503 20 10 CCCDHN CN(C)c1ccc(CNS(=O)(=O)C2CNC2)cc1 ZINC000722230451 812003362 /nfs/dbraw/zinc/00/33/62/812003362.db2.gz NBYNHMDZXDOWIG-UHFFFAOYSA-N 0 3 269.370 0.144 20 10 CCCDHN CC(=O)N1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001169511158 836315475 /nfs/dbraw/zinc/31/54/75/836315475.db2.gz UKWYEPHEVXLROP-NSHDSACASA-N 0 3 250.298 0.808 20 10 CCCDHN CN(C[C@@H]1CNCCO1)C(=O)Cc1ccc(N)cc1 ZINC001157720199 837318737 /nfs/dbraw/zinc/31/87/37/837318737.db2.gz CJVWGOPYVAUBTR-ZDUSSCGKSA-N 0 3 263.341 0.258 20 10 CCCDHN [NH3+][C@@H]1CCN(Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001205958916 848062953 /nfs/dbraw/zinc/06/29/53/848062953.db2.gz HFGLEMZYKDRXID-ZYHUDNBSSA-N 0 3 256.733 0.940 20 10 CCCDHN CCNS(=O)(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000389348891 853992798 /nfs/dbraw/zinc/99/27/98/853992798.db2.gz YLRGKEMPWXNSMY-NSHDSACASA-N 0 3 284.381 0.908 20 10 CCCDHN C[NH+](C)CC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000394407757 854179471 /nfs/dbraw/zinc/17/94/71/854179471.db2.gz DKJPJNGQDHRAPI-UHFFFAOYSA-N 0 3 250.298 0.731 20 10 CCCDHN COCCN1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001357667331 926581703 /nfs/dbraw/zinc/58/17/03/926581703.db2.gz CYUSVQBXHHUIML-CQSZACIVSA-N 0 3 292.383 0.789 20 10 CCCDHN CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2c([O-])cccc2F)C1 ZINC001358168132 926648964 /nfs/dbraw/zinc/64/89/64/926648964.db2.gz OIHUJWDKYKXSGN-OTYXRUKQSA-N 0 3 282.315 0.915 20 10 CCCDHN O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(O)c1[O-] ZINC000296282083 389009776 /nfs/dbraw/zinc/00/97/76/389009776.db2.gz HGZGEUJFLPUVAE-NSHDSACASA-N 0 3 294.351 0.674 20 10 CCCDHN COc1cccc(C[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530180461 285557865 /nfs/dbraw/zinc/55/78/65/285557865.db2.gz ADSNPNQQTKJPBF-NSHDSACASA-N 0 3 252.314 0.479 20 10 CCCDHN CN(C)c1ccc(CN[C@]2(CO)CCOC2)cc1 ZINC000184191019 262272050 /nfs/dbraw/zinc/27/20/50/262272050.db2.gz YSFLSGVWMRLWEH-AWEZNQCLSA-N 0 3 250.342 0.994 20 10 CCCDHN COCC[C@H](CO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000281393478 521929234 /nfs/dbraw/zinc/92/92/34/521929234.db2.gz XARLNPJTIGFREO-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN COC[C@@H](CO)NCc1cc2c(cc1O)OCO2 ZINC000234876244 522303393 /nfs/dbraw/zinc/30/33/93/522303393.db2.gz JYLJROLYMRYTGI-SECBINFHSA-N 0 3 255.270 0.218 20 10 CCCDHN COc1cccc(CN[C@@H](C)CS(C)(=O)=O)c1O ZINC000078639192 526029317 /nfs/dbraw/zinc/02/93/17/526029317.db2.gz YGEZXYLAVLPKQM-VIFPVBQESA-N 0 3 273.354 0.924 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]CCCN1CCOCC1)OCO2 ZINC000042879506 526337169 /nfs/dbraw/zinc/33/71/69/526337169.db2.gz GTTGXTLHCBWRFQ-UHFFFAOYSA-N 0 3 294.351 0.933 20 10 CCCDHN OC[C@]12C[C@H]1CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000783739564 581358268 /nfs/dbraw/zinc/35/82/68/581358268.db2.gz GBMSJENVKCMWQF-IINYFYTJSA-N 0 3 263.293 0.935 20 10 CCCDHN C[C@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794710232 581385082 /nfs/dbraw/zinc/38/50/82/581385082.db2.gz KKVACXFGJYHYNP-DOMZBBRYSA-N 0 3 292.335 0.515 20 10 CCCDHN C[C@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794710232 581385083 /nfs/dbraw/zinc/38/50/83/581385083.db2.gz KKVACXFGJYHYNP-DOMZBBRYSA-N 0 3 292.335 0.515 20 10 CCCDHN CCOc1ccc(CN2C[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000769452001 581690313 /nfs/dbraw/zinc/69/03/13/581690313.db2.gz OQQMNDOGVFBIPH-BETUJISGSA-N 0 3 253.298 0.328 20 10 CCCDHN CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000775135902 582012508 /nfs/dbraw/zinc/01/25/08/582012508.db2.gz JDETTXHAUUCZPA-JTQLQIEISA-N 0 3 272.370 0.982 20 10 CCCDHN COc1ccc(CN2CCC(O)(CO)CC2)c(O)c1OC ZINC000895362774 617249410 /nfs/dbraw/zinc/24/94/10/617249410.db2.gz HOOGBZBAPORSMZ-UHFFFAOYSA-N 0 3 297.351 0.729 20 10 CCCDHN COc1cccc([O-])c1C[N@@H+]1CCC(CO)(CO)C1 ZINC000827475321 617305180 /nfs/dbraw/zinc/30/51/80/617305180.db2.gz XKMWJOAEWULVEP-UHFFFAOYSA-N 0 3 267.325 0.578 20 10 CCCDHN COc1cccc([O-])c1C[N@H+]1CCC(CO)(CO)C1 ZINC000827475321 617305182 /nfs/dbraw/zinc/30/51/82/617305182.db2.gz XKMWJOAEWULVEP-UHFFFAOYSA-N 0 3 267.325 0.578 20 10 CCCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CN(C)C ZINC000876873267 615068064 /nfs/dbraw/zinc/06/80/64/615068064.db2.gz ADQKMAAXFYSNBL-HNNXBMFYSA-N 0 3 292.427 0.990 20 10 CCCDHN CN(C)c1ccc(CNC(=O)c2c(CN)cnn2C)cc1 ZINC000876712640 616015541 /nfs/dbraw/zinc/01/55/41/616015541.db2.gz RJIYTLJSNJESPX-UHFFFAOYSA-N 0 3 287.367 0.875 20 10 CCCDHN CN(CC[NH2+]Cc1ccccc1[O-])CCOCCO ZINC000883351188 616096233 /nfs/dbraw/zinc/09/62/33/616096233.db2.gz ZJVFFZPGBXFQLG-UHFFFAOYSA-N 0 3 268.357 0.423 20 10 CCCDHN CON(C)C(=O)[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000858325113 617054048 /nfs/dbraw/zinc/05/40/48/617054048.db2.gz MFIYTNQQZRSPQR-MRVPVSSYSA-N 0 3 282.296 0.619 20 10 CCCDHN O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000895772136 632151625 /nfs/dbraw/zinc/15/16/25/632151625.db2.gz CLGOLLFBCWPJLR-CYBMUJFWSA-N 0 3 276.336 0.777 20 10 CCCDHN Cc1ccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c([O-])c1 ZINC000897052448 632381409 /nfs/dbraw/zinc/38/14/09/632381409.db2.gz LUXHQVHIITXCCZ-NSHDSACASA-N 0 3 284.381 0.811 20 10 CCCDHN Cc1ccc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)c([O-])c1 ZINC000897052448 632381415 /nfs/dbraw/zinc/38/14/15/632381415.db2.gz LUXHQVHIITXCCZ-NSHDSACASA-N 0 3 284.381 0.811 20 10 CCCDHN NCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000237975729 638253991 /nfs/dbraw/zinc/25/39/91/638253991.db2.gz VTYFMRQNQHQJTE-UHFFFAOYSA-N 0 3 265.382 0.815 20 10 CCCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCNC2=O)c1 ZINC000182451081 638483407 /nfs/dbraw/zinc/48/34/07/638483407.db2.gz OSMQFSGKRCLBCI-GZMMTYOYSA-N 0 3 250.298 0.940 20 10 CCCDHN O=C1OC[C@H]2C[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@@H]12 ZINC000863338920 645083149 /nfs/dbraw/zinc/08/31/49/645083149.db2.gz XFZJHYQIUTUGQO-XWIASGKRSA-N 0 3 291.303 0.423 20 10 CCCDHN O=C1OC[C@H]2C[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C[C@@H]12 ZINC000863338920 645083158 /nfs/dbraw/zinc/08/31/58/645083158.db2.gz XFZJHYQIUTUGQO-XWIASGKRSA-N 0 3 291.303 0.423 20 10 CCCDHN C[C@@H]1COC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000932494283 649076755 /nfs/dbraw/zinc/07/67/55/649076755.db2.gz PGSXFYMWOVZPKK-DOMZBBRYSA-N 0 3 291.395 0.993 20 10 CCCDHN CN(C)C[C@H]1CN(Cc2cc(O)c(O)cc2O)CCO1 ZINC001233483287 806059925 /nfs/dbraw/zinc/05/99/25/806059925.db2.gz UMUZHYPYQLSWLT-NSHDSACASA-N 0 3 282.340 0.566 20 10 CCCDHN CN(C)C1(C)CN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485813 806061789 /nfs/dbraw/zinc/06/17/89/806061789.db2.gz LIYLDYMWFSUJAZ-UHFFFAOYSA-N 0 3 252.314 0.939 20 10 CCCDHN [O-]c1cccc(F)c1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234982946 806326724 /nfs/dbraw/zinc/32/67/24/806326724.db2.gz RZXXRUNVFQVJMS-AWEZNQCLSA-N 0 3 265.332 0.669 20 10 CCCDHN COc1cc(CN2C[C@H](O)[C@H](CO)C2)c(O)c(OC)c1 ZINC001237668310 806708181 /nfs/dbraw/zinc/70/81/81/806708181.db2.gz BZXAHCRLOXPFMV-JQWIXIFHSA-N 0 3 283.324 0.194 20 10 CCCDHN COc1cc(O)c(CN2CC[C@@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031892 799973805 /nfs/dbraw/zinc/97/38/05/799973805.db2.gz NMHTVKWUUUXTBL-GXFFZTMASA-N 0 3 297.351 0.585 20 10 CCCDHN CN(C)c1ccc(CN(C)S(=O)(=O)C2CNC2)cc1 ZINC000722230922 812003500 /nfs/dbraw/zinc/00/35/00/812003500.db2.gz URXGCOCXZDAIMQ-UHFFFAOYSA-N 0 3 283.397 0.486 20 10 CCCDHN CN(C)C[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000702389271 819113988 /nfs/dbraw/zinc/11/39/88/819113988.db2.gz OJYCGCRRSAPYCR-AWEZNQCLSA-N 0 3 278.400 0.600 20 10 CCCDHN [NH3+]CCN(C(=O)c1cc(O)c([O-])c(O)c1)c1cccnc1 ZINC001148590204 840855282 /nfs/dbraw/zinc/85/52/82/840855282.db2.gz YYHFPYWKQWUERD-UHFFFAOYSA-N 0 3 289.291 0.804 20 10 CCCDHN COc1cc(C)c(CNCC(=O)N(C)OC)c(O)c1 ZINC001182480718 843849008 /nfs/dbraw/zinc/84/90/08/843849008.db2.gz TVFCCHBQJCTVOP-UHFFFAOYSA-N 0 3 268.313 0.819 20 10 CCCDHN CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000390196523 854023513 /nfs/dbraw/zinc/02/35/13/854023513.db2.gz USWOGLUHDMQAON-JTQLQIEISA-N 0 3 272.370 0.982 20 10 CCCDHN COc1cc(O)c(CN2C[C@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031984 892350303 /nfs/dbraw/zinc/35/03/03/892350303.db2.gz PICYJXGZMSGISG-ZANVPECISA-N 0 3 283.324 0.194 20 10 CCCDHN COc1ccc(CNC[C@H](C)N(C)C(=O)C(N)=O)cc1C ZINC001482326707 893873801 /nfs/dbraw/zinc/87/38/01/893873801.db2.gz MYQRTATYYFWQSL-NSHDSACASA-N 0 3 293.367 0.425 20 10 CCCDHN O=C(C(=O)N1CCCNCC1)N1Cc2cccc(O)c2C1 ZINC001335715812 920391237 /nfs/dbraw/zinc/39/12/37/920391237.db2.gz POKRXYHOWKBPQX-UHFFFAOYSA-N 0 3 289.335 0.056 20 10 CCCDHN Nc1ccc(CC(=O)N[C@H]2COC3(CNC3)C2)cc1 ZINC001340735742 922193797 /nfs/dbraw/zinc/19/37/97/922193797.db2.gz PLTCFPQGLNOMBN-GFCCVEGCSA-N 0 3 261.325 0.058 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]CC1(O)CCOCC1)OCO2 ZINC000112717367 349789498 /nfs/dbraw/zinc/78/94/98/349789498.db2.gz GRNZNDNJRPQGFG-UHFFFAOYSA-N 0 3 281.308 0.752 20 10 CCCDHN CNS(=O)(=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000187181634 351532840 /nfs/dbraw/zinc/53/28/40/351532840.db2.gz PRDSZRLLSPRXNA-MRVPVSSYSA-N 0 3 276.333 0.731 20 10 CCCDHN CN(C)c1ccc(CN2CC[C@](O)(C(N)=O)C2)cc1 ZINC000284884395 353557851 /nfs/dbraw/zinc/55/78/51/353557851.db2.gz FOBVTQOCZPKPPW-CQSZACIVSA-N 0 3 263.341 0.175 20 10 CCCDHN C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000288713016 353687267 /nfs/dbraw/zinc/68/72/67/353687267.db2.gz ZKPGTZIAJPZOLS-GXSJLCMTSA-N 0 3 255.339 0.915 20 10 CCCDHN CS(=O)(=O)NCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295773832 353918208 /nfs/dbraw/zinc/91/82/08/353918208.db2.gz ALKUJWAPTKHXPG-LLVKDONJSA-N 0 3 284.381 0.908 20 10 CCCDHN CCOc1cccc(CN2CCOC[C@@H](O)C2)c1O ZINC000294934245 199257668 /nfs/dbraw/zinc/25/76/68/199257668.db2.gz ZQJMULPCSNTAKQ-LBPRGKRZSA-N 0 3 267.325 0.984 20 10 CCCDHN C[C@H](CS(C)(=O)=O)NCc1cc2c(cc1O)OCO2 ZINC000078639900 260168480 /nfs/dbraw/zinc/16/84/80/260168480.db2.gz SOYQCJYSABGVRU-MRVPVSSYSA-N 0 3 287.337 0.644 20 10 CCCDHN CCOc1cccc(CN2C[C@H](O)C[C@H]2CO)c1O ZINC000370390709 267315816 /nfs/dbraw/zinc/31/58/16/267315816.db2.gz XWVDTADMWARYDC-NWDGAFQWSA-N 0 3 267.325 0.718 20 10 CCCDHN CS(=O)(=O)NCCNCc1ccc2c(c1)CCO2 ZINC000037362941 326919063 /nfs/dbraw/zinc/91/90/63/326919063.db2.gz HHBQLGXLGHDBJX-UHFFFAOYSA-N 0 3 270.354 0.260 20 10 CCCDHN CO[C@@H](CN)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000289468356 523502973 /nfs/dbraw/zinc/50/29/73/523502973.db2.gz AOTILDHZXRTCKA-LBPRGKRZSA-N 0 3 269.320 0.482 20 10 CCCDHN Cc1ccc(O)c(CN2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000093531380 525345463 /nfs/dbraw/zinc/34/54/63/525345463.db2.gz WBAKBFOWVGZHME-LBPRGKRZSA-N 0 3 284.381 0.824 20 10 CCCDHN Cc1cccc(CN2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000785986744 581426369 /nfs/dbraw/zinc/42/63/69/581426369.db2.gz XEXOQDNVZLUBGF-LLVKDONJSA-N 0 3 270.354 0.563 20 10 CCCDHN COc1ccc(N2CCN(C[C@@H]3CNCCO3)CC2)cc1 ZINC000043801909 617267887 /nfs/dbraw/zinc/26/78/87/617267887.db2.gz MNLDUIWNYIVIRV-INIZCTEOSA-N 0 3 291.395 0.806 20 10 CCCDHN COc1cccc(CN(C)[C@@]2(CO)CCOC2)c1O ZINC000862426513 617296723 /nfs/dbraw/zinc/29/67/23/617296723.db2.gz HXWAPQQQBUAMDI-CQSZACIVSA-N 0 3 267.325 0.984 20 10 CCCDHN CCON(C)C(=O)CNCc1cc(OC)ccc1O ZINC000846065416 615336613 /nfs/dbraw/zinc/33/66/13/615336613.db2.gz QNOKIXNEOXCMFI-UHFFFAOYSA-N 0 3 268.313 0.900 20 10 CCCDHN CCOc1ccc(C[NH2+]CCN2CCNC2=O)c([O-])c1 ZINC000886324259 615511060 /nfs/dbraw/zinc/51/10/60/615511060.db2.gz FLJLTOQNRXGKCU-UHFFFAOYSA-N 0 3 279.340 0.906 20 10 CCCDHN CCOc1ccc(C[NH2+]C[C@H](O)COC)c([O-])c1 ZINC000801734081 615511067 /nfs/dbraw/zinc/51/10/67/615511067.db2.gz UGMXOJJVOWIDLE-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN CN(C)c1ccc(CNc2nc(N)nc(N)n2)cc1F ZINC000858373436 616015888 /nfs/dbraw/zinc/01/58/88/616015888.db2.gz GFQHTHDFXRHJED-UHFFFAOYSA-N 0 3 277.307 0.853 20 10 CCCDHN CN(C)c1ccc([C@@H](CN2C(=O)CNC2=O)N(C)C)cc1 ZINC000900185578 616019098 /nfs/dbraw/zinc/01/90/98/616019098.db2.gz OUVJOPUPMXRPRF-CYBMUJFWSA-N 0 3 290.367 0.907 20 10 CCCDHN CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650073 616710209 /nfs/dbraw/zinc/71/02/09/616710209.db2.gz ZTTVXNIEPJNAJX-BDAKNGLRSA-N 0 3 265.313 0.887 20 10 CCCDHN O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000895771304 632152119 /nfs/dbraw/zinc/15/21/19/632152119.db2.gz JRZRVKUUBFVIIT-CYBMUJFWSA-N 0 3 294.326 0.916 20 10 CCCDHN NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000897058764 632384000 /nfs/dbraw/zinc/38/40/00/632384000.db2.gz RYSVEGPGXGWZLE-JTQLQIEISA-N 0 3 270.354 0.503 20 10 CCCDHN NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000897058764 632384007 /nfs/dbraw/zinc/38/40/07/632384007.db2.gz RYSVEGPGXGWZLE-JTQLQIEISA-N 0 3 270.354 0.503 20 10 CCCDHN Nc1ccc(CC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000851648648 643863901 /nfs/dbraw/zinc/86/39/01/643863901.db2.gz MKHRHRVBDAEOEK-VXGBXAGGSA-N 0 3 251.305 0.709 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000877584507 646825853 /nfs/dbraw/zinc/82/58/53/646825853.db2.gz GKRZZYNLLHVDJE-NSHDSACASA-N 0 3 262.313 0.443 20 10 CCCDHN Cc1ccc(CN2CCN(C)C[C@H]2CO)c(O)c1 ZINC000877644712 646831759 /nfs/dbraw/zinc/83/17/59/646831759.db2.gz QXLUKTCGVQKKSC-ZDUSSCGKSA-N 0 3 250.342 0.809 20 10 CCCDHN C[C@@H]([NH2+]CCN1C(=O)CN(C)C1=O)c1ccccc1[O-] ZINC000879650241 647090252 /nfs/dbraw/zinc/09/02/52/647090252.db2.gz RFCHJIANXHPMFV-SNVBAGLBSA-N 0 3 277.324 0.937 20 10 CCCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)CO)C[C@@H]1CCCO1 ZINC000929969756 648808336 /nfs/dbraw/zinc/80/83/36/648808336.db2.gz DADYPCWETODBGW-KBPBESRZSA-N 0 3 281.352 0.726 20 10 CCCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CO)C[C@@H]1CCCO1 ZINC000929969756 648808340 /nfs/dbraw/zinc/80/83/40/648808340.db2.gz DADYPCWETODBGW-KBPBESRZSA-N 0 3 281.352 0.726 20 10 CCCDHN C[C@H]([NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000931558637 649004812 /nfs/dbraw/zinc/00/48/12/649004812.db2.gz WBFQRLWCUIINFK-SLEUVZQESA-N 0 3 281.352 0.945 20 10 CCCDHN CNC(=O)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482587 806059075 /nfs/dbraw/zinc/05/90/75/806059075.db2.gz UAUDKQNKXCOGFM-UHFFFAOYSA-N 0 3 280.324 0.761 20 10 CCCDHN [O-]c1ccc(F)c(F)c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234991067 806338401 /nfs/dbraw/zinc/33/84/01/806338401.db2.gz PKLFTPQVVDRXSW-CQSZACIVSA-N 0 3 283.322 0.808 20 10 CCCDHN COc1cc(CN2CC[C@@H](O)[C@H](CO)C2)c(O)c(OC)c1 ZINC001237669816 806708889 /nfs/dbraw/zinc/70/88/89/806708889.db2.gz OMOADFDEALUTME-WCQYABFASA-N 0 3 297.351 0.585 20 10 CCCDHN CC(C)(O)CN1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162710 799986306 /nfs/dbraw/zinc/98/63/06/799986306.db2.gz APIUKVPSVILXSN-UHFFFAOYSA-N 0 3 280.368 0.986 20 10 CCCDHN NCCS(=O)(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001239114991 806852497 /nfs/dbraw/zinc/85/24/97/806852497.db2.gz RQCFJOMWILINNH-UHFFFAOYSA-N 0 3 286.353 0.135 20 10 CCCDHN C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001219656922 804395801 /nfs/dbraw/zinc/39/58/01/804395801.db2.gz FHGOFYNZTHGZMB-DTWKUNHWSA-N 0 3 280.324 0.779 20 10 CCCDHN CCOC(=O)C1=C(NC(=O)c2cccc(O)c2[O-])C[NH2+]C1 ZINC001220834191 804678326 /nfs/dbraw/zinc/67/83/26/804678326.db2.gz MNEASJCMKNXHQC-UHFFFAOYSA-N 0 3 292.291 0.248 20 10 CCCDHN C[NH+](C)CC[C@@H](N)C(=O)NCc1c([O-])cccc1F ZINC001263200041 809478802 /nfs/dbraw/zinc/47/88/02/809478802.db2.gz YPOPLMRWQRKSLW-LLVKDONJSA-N 0 3 269.320 0.427 20 10 CCCDHN COc1cc(O)c(CN[C@]2(C)CCNC2=O)cc1OC ZINC001333825843 919191920 /nfs/dbraw/zinc/19/19/20/919191920.db2.gz IVXWMXGTHPLQAI-CQSZACIVSA-N 0 3 280.324 0.778 20 10 CCCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000093583920 349546868 /nfs/dbraw/zinc/54/68/68/349546868.db2.gz YNADWSFWEQXHJA-OAHLLOKOSA-N 0 3 294.395 0.826 20 10 CCCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000093583920 349546870 /nfs/dbraw/zinc/54/68/70/349546870.db2.gz YNADWSFWEQXHJA-OAHLLOKOSA-N 0 3 294.395 0.826 20 10 CCCDHN C[C@H](NCc1cc2c(cc1O)OCO2)C(=O)NCCF ZINC000282650631 353442585 /nfs/dbraw/zinc/44/25/85/353442585.db2.gz LDLDYYWKAPLNNT-QMMMGPOBSA-N 0 3 284.287 0.685 20 10 CCCDHN COc1ccc(O)c(CN(C)CCOCCO)c1 ZINC000282682583 353444566 /nfs/dbraw/zinc/44/45/66/353444566.db2.gz IKMRVFLDAGIZPG-UHFFFAOYSA-N 0 3 255.314 0.842 20 10 CCCDHN CS(=O)(=O)N[C@H]1CCN(Cc2ccccc2O)C1 ZINC000179577659 389660669 /nfs/dbraw/zinc/66/06/69/389660669.db2.gz UIGFVGNELOJENW-NSHDSACASA-N 0 3 270.354 0.516 20 10 CCCDHN CN1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000157907972 261155479 /nfs/dbraw/zinc/15/54/79/261155479.db2.gz LSAAROXXTWDCJG-LLVKDONJSA-N 0 3 264.325 0.851 20 10 CCCDHN C[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040855887 524818533 /nfs/dbraw/zinc/81/85/33/524818533.db2.gz MUNDELMPBLIOFL-LBPRGKRZSA-N 0 3 277.368 0.829 20 10 CCCDHN COC(=O)CNC(=O)CNCc1ccc(N(C)C)cc1 ZINC000781050188 581257964 /nfs/dbraw/zinc/25/79/64/581257964.db2.gz VMSRVSBXFMYNGA-UHFFFAOYSA-N 0 3 279.340 0.131 20 10 CCCDHN CNC(=O)CC[N@H+](C)Cc1c([O-])cccc1OC ZINC000769318411 581683533 /nfs/dbraw/zinc/68/35/33/581683533.db2.gz ZHAJAEJSDLABCZ-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN CNC(=O)CC[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769318411 581683536 /nfs/dbraw/zinc/68/35/36/581683536.db2.gz ZHAJAEJSDLABCZ-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN COc1cccc(CN2C[C@H](O)C[C@H](O)C2)c1O ZINC000769565443 581696256 /nfs/dbraw/zinc/69/62/56/581696256.db2.gz WRGVZWPAABIOLW-PHIMTYICSA-N 0 3 253.298 0.328 20 10 CCCDHN CN(C)c1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000769565444 581696409 /nfs/dbraw/zinc/69/64/09/581696409.db2.gz WRZRBLZRRYXFIO-OKILXGFUSA-N 0 3 250.342 0.680 20 10 CCCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2nnnn2C)c1 ZINC000756678787 581933504 /nfs/dbraw/zinc/93/35/04/581933504.db2.gz YHYKFBFJGVTIOS-SECBINFHSA-N 0 3 277.328 0.818 20 10 CCCDHN COc1ccc(O)c(CN2C[C@H](O)C[C@H](O)C2)c1 ZINC000775735322 582035723 /nfs/dbraw/zinc/03/57/23/582035723.db2.gz MKLWSDMMBVIVEB-PHIMTYICSA-N 0 3 253.298 0.328 20 10 CCCDHN COc1ccc(N2CC[C@@H](NC(=O)C3(N)CC3)C2)cc1 ZINC000851639357 617267959 /nfs/dbraw/zinc/26/79/59/617267959.db2.gz DNUHXAKDWCPWQE-LLVKDONJSA-N 0 3 275.352 0.881 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@](O)(C(=O)OC)C2)c([O-])c1 ZINC000895707079 615510664 /nfs/dbraw/zinc/51/06/64/615510664.db2.gz IMDHRJFEEVZTLC-OAHLLOKOSA-N 0 3 295.335 0.901 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@](O)(C(=O)OC)C2)c([O-])c1 ZINC000895707079 615510666 /nfs/dbraw/zinc/51/06/66/615510666.db2.gz IMDHRJFEEVZTLC-OAHLLOKOSA-N 0 3 295.335 0.901 20 10 CCCDHN CCOc1ccc(CN2CC[C@](O)(C(=O)OC)C2)c(O)c1 ZINC000895707079 615510667 /nfs/dbraw/zinc/51/06/67/615510667.db2.gz IMDHRJFEEVZTLC-OAHLLOKOSA-N 0 3 295.335 0.901 20 10 CCCDHN CN1C[C@H](O)C[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000924990499 616449135 /nfs/dbraw/zinc/44/91/35/616449135.db2.gz VXWKHQXUUANTAH-WEPHUFDCSA-N 0 3 292.335 0.292 20 10 CCCDHN CO[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000825017544 616776194 /nfs/dbraw/zinc/77/61/94/616776194.db2.gz UIETWPMUHMINCZ-ZIAGYGMSSA-N 0 3 250.342 0.944 20 10 CCCDHN C[C@H](NC(=O)NC[C@@H]1CNCCO1)c1ccccc1O ZINC000892185066 622652217 /nfs/dbraw/zinc/65/22/17/622652217.db2.gz YVKSQYWWLLVNIT-QWRGUYRKSA-N 0 3 279.340 0.741 20 10 CCCDHN O[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000862445968 645000503 /nfs/dbraw/zinc/00/05/03/645000503.db2.gz KOEMTIRTPXQBJE-GJZGRUSLSA-N 0 3 278.352 0.061 20 10 CCCDHN CN1C(=O)CC[C@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000090027707 649666386 /nfs/dbraw/zinc/66/63/86/649666386.db2.gz LYUUSPZFSIIKCJ-VIFPVBQESA-N 0 3 292.291 0.358 20 10 CCCDHN COc1cc(CN2CC[C@@H](O)[C@](C)(CO)C2)c(O)cc1O ZINC001231634464 805821766 /nfs/dbraw/zinc/82/17/66/805821766.db2.gz NKMKLOKGKOHREI-CABCVRRESA-N 0 3 297.351 0.672 20 10 CCCDHN COc1cc(CN2CCO[C@@H](CN(C)C)C2)c(O)cc1O ZINC001231634605 805822357 /nfs/dbraw/zinc/82/23/57/805822357.db2.gz PPIUZZUOQFIGJY-LBPRGKRZSA-N 0 3 296.367 0.869 20 10 CCCDHN COCCCN1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233013424 806006160 /nfs/dbraw/zinc/00/61/60/806006160.db2.gz QPEXMZUUVVUGOU-UHFFFAOYSA-N 0 3 296.367 0.958 20 10 CCCDHN Oc1cc(CN2CCN3CC[C@@H]3C2)cc(O)c1O ZINC001233016153 806009476 /nfs/dbraw/zinc/00/94/76/806009476.db2.gz OECRQCGNQSABDM-SNVBAGLBSA-N 0 3 250.298 0.693 20 10 CCCDHN CCN(CCN1CCOCC1)Cc1cc(O)c(O)cc1O ZINC001233486689 806062088 /nfs/dbraw/zinc/06/20/88/806062088.db2.gz YDNPPYNEUUHVNJ-UHFFFAOYSA-N 0 3 296.367 0.958 20 10 CCCDHN CNC(=O)NC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487186 806065577 /nfs/dbraw/zinc/06/55/77/806065577.db2.gz TXCLSXXYUAWCLY-UHFFFAOYSA-N 0 3 295.339 0.697 20 10 CCCDHN Cc1c(O)ccc(CN2CC(C(=O)N(C)C)C2)c1O ZINC001140745712 799938576 /nfs/dbraw/zinc/93/85/76/799938576.db2.gz MRLZBJCKDRVPSE-UHFFFAOYSA-N 0 3 264.325 0.926 20 10 CCCDHN CN1CCOc2cc(CN3C[C@H](O)[C@H](CO)C3)ccc21 ZINC001141139821 799983200 /nfs/dbraw/zinc/98/32/00/799983200.db2.gz CPHBFCWZWXKQPR-JSGCOSHPSA-N 0 3 278.352 0.300 20 10 CCCDHN O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)CN1CCCC1 ZINC001141654683 800026844 /nfs/dbraw/zinc/02/68/44/800026844.db2.gz VEAJVBURUVGNSN-LBPRGKRZSA-N 0 3 294.351 0.213 20 10 CCCDHN COc1ccc(O)c(CN2CC[C@@H](O)[C@@](C)(CO)C2)c1 ZINC001203669485 803040695 /nfs/dbraw/zinc/04/06/95/803040695.db2.gz DKYXACLMYQAIAQ-HUUCEWRRSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(O)c(CN2CC[C@@H](O)[C@](C)(CO)C2)c1 ZINC001203669480 803042012 /nfs/dbraw/zinc/04/20/12/803042012.db2.gz DKYXACLMYQAIAQ-CABCVRRESA-N 0 3 281.352 0.966 20 10 CCCDHN Oc1cc(O)c(CCNC[C@@H](O)C(F)(F)F)cc1O ZINC001250991136 807630121 /nfs/dbraw/zinc/63/01/21/807630121.db2.gz FJQSBTPZPGWSPD-SNVBAGLBSA-N 0 3 281.230 0.859 20 10 CCCDHN Oc1cc(O)c(CCNC[C@H](O)C(F)(F)F)cc1O ZINC001250991135 807630445 /nfs/dbraw/zinc/63/04/45/807630445.db2.gz FJQSBTPZPGWSPD-JTQLQIEISA-N 0 3 281.230 0.859 20 10 CCCDHN COCC(=O)NC1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141160405 811823501 /nfs/dbraw/zinc/82/35/01/811823501.db2.gz XLDQJKANOZECKK-UHFFFAOYSA-N 0 3 294.351 0.825 20 10 CCCDHN CN(C)C(=O)CNCc1ccc(N2CCOCC2)cc1 ZINC000037207321 841641220 /nfs/dbraw/zinc/64/12/20/841641220.db2.gz TUAFQVRQCLVIGJ-UHFFFAOYSA-N 0 3 277.368 0.701 20 10 CCCDHN C[C@@H](NCCNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000037241482 841648508 /nfs/dbraw/zinc/64/85/08/841648508.db2.gz ZLRHUDZHLWMLFA-LLVKDONJSA-N 0 3 285.413 0.952 20 10 CCCDHN C[C@H](C(=O)NCCc1cc(O)c(O)cc1O)N1CCCC1 ZINC001180583080 843219064 /nfs/dbraw/zinc/21/90/64/843219064.db2.gz VJEWPOMCTJRFJQ-SNVBAGLBSA-N 0 3 294.351 0.946 20 10 CCCDHN COc1ccc(N2CC[C@H](NCCS(C)(=O)=O)C2)cc1 ZINC001335414242 906760880 /nfs/dbraw/zinc/76/08/80/906760880.db2.gz WRAZCFIKHQLANA-LBPRGKRZSA-N 0 3 298.408 0.908 20 10 CCCDHN CNS(=O)(=O)CCN[C@@H](C)c1cc(OC)ccc1O ZINC000187198360 351533950 /nfs/dbraw/zinc/53/39/50/351533950.db2.gz ZYOARTPYDCQZNS-VIFPVBQESA-N 0 3 288.369 0.601 20 10 CCCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](CO)C1)OCO2 ZINC000092764681 389032471 /nfs/dbraw/zinc/03/24/71/389032471.db2.gz DJMUHFGIEUQQFG-VIFPVBQESA-N 0 3 251.282 0.935 20 10 CCCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](CO)C1)OCO2 ZINC000092764681 389032473 /nfs/dbraw/zinc/03/24/73/389032473.db2.gz DJMUHFGIEUQQFG-VIFPVBQESA-N 0 3 251.282 0.935 20 10 CCCDHN CNC(=O)CC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000179412595 389656268 /nfs/dbraw/zinc/65/62/68/389656268.db2.gz GRMXRBPKLMDCBB-UHFFFAOYSA-N 0 3 266.297 0.689 20 10 CCCDHN CNC(=O)CC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000179412595 389656270 /nfs/dbraw/zinc/65/62/70/389656270.db2.gz GRMXRBPKLMDCBB-UHFFFAOYSA-N 0 3 266.297 0.689 20 10 CCCDHN CC[C@H]([NH2+]CCS(=O)(=O)NC)c1ccccc1[O-] ZINC000187169326 288042220 /nfs/dbraw/zinc/04/22/20/288042220.db2.gz VDDKCBCOSLMYQS-NSHDSACASA-N 0 3 272.370 0.982 20 10 CCCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c1 ZINC000271866931 328198560 /nfs/dbraw/zinc/19/85/60/328198560.db2.gz VJXQFAJGHSTCIT-SECBINFHSA-N 0 3 293.323 0.603 20 10 CCCDHN C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227980075 333292131 /nfs/dbraw/zinc/29/21/31/333292131.db2.gz DXXWPQYVFDUJOI-OTYXRUKQSA-N 0 3 281.308 0.750 20 10 CCCDHN CCS(=O)(=O)CCNCc1cc(OC)ccc1O ZINC000224733349 521643005 /nfs/dbraw/zinc/64/30/05/521643005.db2.gz QTQCILQHXRELIE-UHFFFAOYSA-N 0 3 273.354 0.925 20 10 CCCDHN CCN(CC)c1ccc(CNC[C@H](O)CO)cc1 ZINC000083393593 520905940 /nfs/dbraw/zinc/90/59/40/520905940.db2.gz YSCIRPJFLFJIJN-AWEZNQCLSA-N 0 3 252.358 0.976 20 10 CCCDHN COC[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000227706700 522679640 /nfs/dbraw/zinc/67/96/40/522679640.db2.gz AFYQBOHMOJEHHR-JTQLQIEISA-N 0 3 269.297 0.872 20 10 CCCDHN CO[C@H](CN)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000290029211 523930985 /nfs/dbraw/zinc/93/09/85/523930985.db2.gz RQYHUBCJVPDCGT-CQSZACIVSA-N 0 3 277.368 0.659 20 10 CCCDHN O=C(CNCc1cc2c(cc1O)OCO2)NC1CC1 ZINC000042879792 526882589 /nfs/dbraw/zinc/88/25/89/526882589.db2.gz SXNFFDGRVMRXHU-UHFFFAOYSA-N 0 3 264.281 0.489 20 10 CCCDHN COc1cccc(O)c1CN[C@@H]1CC(=O)N(C)C1 ZINC000726797688 581252640 /nfs/dbraw/zinc/25/26/40/581252640.db2.gz QEYPCVAPJDZXSG-SECBINFHSA-N 0 3 250.298 0.721 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000786825361 581450259 /nfs/dbraw/zinc/45/02/59/581450259.db2.gz UXMRYHNDZQCLOZ-UHFFFAOYSA-N 0 3 285.365 0.925 20 10 CCCDHN COc1cccc(O)c1CN1C[C@H](O)C[C@H](O)C1 ZINC000769565459 581696533 /nfs/dbraw/zinc/69/65/33/581696533.db2.gz XGDUNECRLZVEKR-AOOOYVTPSA-N 0 3 253.298 0.328 20 10 CCCDHN CCOc1cccc(CN2C[C@H](O)C[C@H](O)C2)c1O ZINC000769562773 581696634 /nfs/dbraw/zinc/69/66/34/581696634.db2.gz FFAPSSAVEKLANV-TXEJJXNPSA-N 0 3 267.325 0.718 20 10 CCCDHN COC[C@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000732672697 581841186 /nfs/dbraw/zinc/84/11/86/581841186.db2.gz XRJOMYYSKPYIOF-CYBMUJFWSA-N 0 3 255.314 0.888 20 10 CCCDHN COc1c([O-])c(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000774914217 582002337 /nfs/dbraw/zinc/00/23/37/582002337.db2.gz MICGFSKGMLMKOG-PHIMTYICSA-N 0 3 293.323 0.960 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCNC2=O)c1 ZINC000775369107 582021077 /nfs/dbraw/zinc/02/10/77/582021077.db2.gz JQCCYGNBBOOSAW-SECBINFHSA-N 0 3 293.323 0.603 20 10 CCCDHN COc1cc([O-])c(C[NH2+][C@@H](C)CC(N)=O)cc1OC ZINC000776251310 582065789 /nfs/dbraw/zinc/06/57/89/582065789.db2.gz WGVPXTRDEGHXFP-QMMMGPOBSA-N 0 3 268.313 0.763 20 10 CCCDHN COCC[NH+](CCOC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441472 582106715 /nfs/dbraw/zinc/10/67/15/582106715.db2.gz LUMZUWXLZOGWBT-CQSZACIVSA-N 0 3 297.351 0.913 20 10 CCCDHN COc1cc(C)cc(CN[C@H]2CCS(=O)(=O)C2)c1O ZINC000893870936 617176029 /nfs/dbraw/zinc/17/60/29/617176029.db2.gz GMWAVIPVMXCOPX-NSHDSACASA-N 0 3 285.365 0.986 20 10 CCCDHN COc1ccc(O)c(CN2CCN(CCO)C[C@H]2C)c1 ZINC000825338348 617272756 /nfs/dbraw/zinc/27/27/56/617272756.db2.gz OPHBJMPXWVZFLI-GFCCVEGCSA-N 0 3 280.368 0.899 20 10 CCCDHN CCOc1ccc(CN2CC[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000877748441 615510456 /nfs/dbraw/zinc/51/04/56/615510456.db2.gz BKOSCZGZCQJZAO-OCCSQVGLSA-N 0 3 267.325 0.718 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c([O-])c1 ZINC000877748441 615510457 /nfs/dbraw/zinc/51/04/57/615510457.db2.gz BKOSCZGZCQJZAO-OCCSQVGLSA-N 0 3 267.325 0.718 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c([O-])c1 ZINC000877748441 615510459 /nfs/dbraw/zinc/51/04/59/615510459.db2.gz BKOSCZGZCQJZAO-OCCSQVGLSA-N 0 3 267.325 0.718 20 10 CCCDHN CN(C)c1ccc(CNc2nc(N)nc(N)n2)cc1 ZINC000858325252 616015911 /nfs/dbraw/zinc/01/59/11/616015911.db2.gz SCOBRXOWAPFMFJ-UHFFFAOYSA-N 0 3 259.317 0.714 20 10 CCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCOCC1 ZINC000929975010 616171102 /nfs/dbraw/zinc/17/11/02/616171102.db2.gz CRSIHKQLDZPVSE-AWEZNQCLSA-N 0 3 281.352 0.726 20 10 CCCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCOCC1 ZINC000929975010 616171103 /nfs/dbraw/zinc/17/11/03/616171103.db2.gz CRSIHKQLDZPVSE-AWEZNQCLSA-N 0 3 281.352 0.726 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(F)ccc2O)C1 ZINC000843435189 616423335 /nfs/dbraw/zinc/42/33/35/616423335.db2.gz QWQAOWQTMIGCHE-ZYHUDNBSSA-N 0 3 283.299 0.887 20 10 CCCDHN CNC(=O)CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000827867784 616591083 /nfs/dbraw/zinc/59/10/83/616591083.db2.gz PIGLFBBQMPTIPK-UHFFFAOYSA-N 0 3 290.411 0.616 20 10 CCCDHN CNS(=O)(=O)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000866458647 617013253 /nfs/dbraw/zinc/01/32/53/617013253.db2.gz NHDAKWLQZNVBEZ-LLVKDONJSA-N 0 3 284.381 0.908 20 10 CCCDHN COc1c([O-])c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000841079452 617149112 /nfs/dbraw/zinc/14/91/12/617149112.db2.gz IGVUNPFXFBEMRQ-JZYVYDRUSA-N 0 3 279.296 0.616 20 10 CCCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c([O-])c1 ZINC000897052447 632380456 /nfs/dbraw/zinc/38/04/56/632380456.db2.gz LUXHQVHIITXCCZ-LLVKDONJSA-N 0 3 284.381 0.811 20 10 CCCDHN Cc1ccc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)c([O-])c1 ZINC000897052447 632380464 /nfs/dbraw/zinc/38/04/64/632380464.db2.gz LUXHQVHIITXCCZ-LLVKDONJSA-N 0 3 284.381 0.811 20 10 CCCDHN NCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852917191 644056733 /nfs/dbraw/zinc/05/67/33/644056733.db2.gz XDHDJBQDGBAAGY-UHFFFAOYSA-N 0 3 263.341 0.223 20 10 CCCDHN Cc1ccc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c([O-])c1 ZINC000877719113 646835576 /nfs/dbraw/zinc/83/55/76/646835576.db2.gz IPGMVIVITJKWAW-TXEJJXNPSA-N 0 3 274.320 0.747 20 10 CCCDHN Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c([O-])c1 ZINC000877719113 646835579 /nfs/dbraw/zinc/83/55/79/646835579.db2.gz IPGMVIVITJKWAW-TXEJJXNPSA-N 0 3 274.320 0.747 20 10 CCCDHN COCCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648883 647089840 /nfs/dbraw/zinc/08/98/40/647089840.db2.gz FAIPRAHGOMCMDN-CHWSQXEVSA-N 0 3 282.384 0.982 20 10 CCCDHN CS(=O)(=O)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000927021449 648538717 /nfs/dbraw/zinc/53/87/17/648538717.db2.gz BREDTXKTGUNFNW-WDEREUQCSA-N 0 3 285.365 0.375 20 10 CCCDHN COc1cc(CN2CC[C@@H](O)[C@H](CO)C2)c(O)cc1O ZINC001231633890 805822524 /nfs/dbraw/zinc/82/25/24/805822524.db2.gz CEXRKGGCNRPPSB-WDEREUQCSA-N 0 3 283.324 0.282 20 10 CCCDHN Oc1cc(O)c(CN2CCN3CC[C@@H]3C2)cc1O ZINC001233487851 806065451 /nfs/dbraw/zinc/06/54/51/806065451.db2.gz UWOAOJPHEBUIAQ-SNVBAGLBSA-N 0 3 250.298 0.693 20 10 CCCDHN COc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236807645 806612338 /nfs/dbraw/zinc/61/23/38/806612338.db2.gz HLGHGPBHANVWBH-IINYFYTJSA-N 0 3 267.325 0.494 20 10 CCCDHN COc1cc(C)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236807645 806612341 /nfs/dbraw/zinc/61/23/41/806612341.db2.gz HLGHGPBHANVWBH-IINYFYTJSA-N 0 3 267.325 0.494 20 10 CCCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236808092 806612468 /nfs/dbraw/zinc/61/24/68/806612468.db2.gz MEMWSMGLDLIXMP-SMDDNHRTSA-N 0 3 281.352 0.884 20 10 CCCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236808092 806612472 /nfs/dbraw/zinc/61/24/72/806612472.db2.gz MEMWSMGLDLIXMP-SMDDNHRTSA-N 0 3 281.352 0.884 20 10 CCCDHN COc1cc(O)c(CN2CC[C@H](CO)[C@H](O)C2)c(OC)c1 ZINC001141031579 799973431 /nfs/dbraw/zinc/97/34/31/799973431.db2.gz IDEUAXBPVWJLIS-QMTHXVAHSA-N 0 3 297.351 0.585 20 10 CCCDHN NCCS(=O)(=O)NCc1cc2ccccc2cc1O ZINC001238706487 806799131 /nfs/dbraw/zinc/79/91/31/806799131.db2.gz JTSMBHFRUPYAAY-UHFFFAOYSA-N 0 3 280.349 0.924 20 10 CCCDHN COc1ccc(O)c(CN2CC[C@H](O)[C@@](C)(CO)C2)c1 ZINC001203669488 803040805 /nfs/dbraw/zinc/04/08/05/803040805.db2.gz DKYXACLMYQAIAQ-LSDHHAIUSA-N 0 3 281.352 0.966 20 10 CCCDHN NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204272220 803074895 /nfs/dbraw/zinc/07/48/95/803074895.db2.gz KCPFATZQRTZJDB-SNVBAGLBSA-N 0 3 250.298 0.795 20 10 CCCDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204272220 803074902 /nfs/dbraw/zinc/07/49/02/803074902.db2.gz KCPFATZQRTZJDB-SNVBAGLBSA-N 0 3 250.298 0.795 20 10 CCCDHN COc1cc(CN2CC[C@]3(CCNC3=O)C2)cc(O)c1O ZINC001204346816 803081201 /nfs/dbraw/zinc/08/12/01/803081201.db2.gz HLMLSFHBOPMRCE-OAHLLOKOSA-N 0 3 292.335 0.818 20 10 CCCDHN C[NH+](C)C1CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000701472862 818965483 /nfs/dbraw/zinc/96/54/83/818965483.db2.gz AFLCLPBTPIDGJX-UHFFFAOYSA-N 0 3 250.298 0.920 20 10 CCCDHN CN1C[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285768 821548445 /nfs/dbraw/zinc/54/84/45/821548445.db2.gz VHQQOWZBKOYILC-HNNXBMFYSA-N 0 3 294.326 0.964 20 10 CCCDHN CN1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285768 821548450 /nfs/dbraw/zinc/54/84/50/821548450.db2.gz VHQQOWZBKOYILC-HNNXBMFYSA-N 0 3 294.326 0.964 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CN1 ZINC001246237732 839730824 /nfs/dbraw/zinc/73/08/24/839730824.db2.gz BWUIHTNNEFYKAX-UMNHJUIQSA-N 0 3 264.325 0.946 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H](NCc2cccc(O)c2O)CN1 ZINC001246317873 839792011 /nfs/dbraw/zinc/79/20/11/839792011.db2.gz RUFYWQWZAQEQPA-ZJUUUORDSA-N 0 3 266.297 0.091 20 10 CCCDHN OC[C@@H]1C[C@@H](F)CN1Cc1c(O)cc(O)cc1O ZINC001144500703 840067642 /nfs/dbraw/zinc/06/76/42/840067642.db2.gz ZNLOZPYHOLSRGO-SFYZADRCSA-N 0 3 257.261 0.708 20 10 CCCDHN COc1cccc(CNCC(=O)N(C)OC)c1O ZINC000397546181 854429673 /nfs/dbraw/zinc/42/96/73/854429673.db2.gz MLIYYKHABPGYTP-UHFFFAOYSA-N 0 3 254.286 0.510 20 10 CCCDHN COc1ccc(CN[C@H](CO)CNC(C)=O)cc1C ZINC001331662737 904006291 /nfs/dbraw/zinc/00/62/91/904006291.db2.gz HHGSNGPRDKKECQ-ZDUSSCGKSA-N 0 3 266.341 0.590 20 10 CCCDHN CN1CCN(c2ccc(CN[C@@H]3CNOC3)cc2F)CC1 ZINC001336120147 920618198 /nfs/dbraw/zinc/61/81/98/920618198.db2.gz WLJFXOYBGOTWPI-CYBMUJFWSA-N 0 3 294.374 0.571 20 10 CCCDHN COc1ccc(O)c(CN[C@]2(C)CCNC2=O)c1 ZINC001355370174 926246714 /nfs/dbraw/zinc/24/67/14/926246714.db2.gz HBCHNGBVARPNEK-CYBMUJFWSA-N 0 3 250.298 0.769 20 10 CCCDHN COc1cc(O)c(CN[C@@]2(CO)CCOC2)cc1OC ZINC000273475782 353112588 /nfs/dbraw/zinc/11/25/88/353112588.db2.gz KDYJPWIHVFCSLM-CQSZACIVSA-N 0 3 283.324 0.650 20 10 CCCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN ZINC000040421922 388851772 /nfs/dbraw/zinc/85/17/72/388851772.db2.gz ULWNNXUMYLUMQI-UHFFFAOYSA-N 0 3 263.341 0.440 20 10 CCCDHN C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccccc1[O-] ZINC000020203146 171067538 /nfs/dbraw/zinc/06/75/38/171067538.db2.gz JKAJVTUTCAZQPS-VIFPVBQESA-N 0 3 258.343 0.592 20 10 CCCDHN C[C@@H](CS(C)(=O)=O)NCc1cc2c(cc1O)OCO2 ZINC000078639897 260168285 /nfs/dbraw/zinc/16/82/85/260168285.db2.gz SOYQCJYSABGVRU-QMMMGPOBSA-N 0 3 287.337 0.644 20 10 CCCDHN NS(=O)(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000369037111 267217778 /nfs/dbraw/zinc/21/77/78/267217778.db2.gz VMCDBCLCBXADFE-UHFFFAOYSA-N 0 3 270.354 0.645 20 10 CCCDHN CN1C(=O)NC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC000289486989 523719563 /nfs/dbraw/zinc/71/95/63/523719563.db2.gz REZIPMPNSLJLNP-UHFFFAOYSA-N 0 3 289.335 0.908 20 10 CCCDHN C[C@@H](NCC(=O)NC(N)=O)c1ccc(N(C)C)cc1 ZINC000775838334 582042028 /nfs/dbraw/zinc/04/20/28/582042028.db2.gz XDGBGDZGAIINPO-SECBINFHSA-N 0 3 264.329 0.598 20 10 CCCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)N)C2)cc1 ZINC000831752789 617267940 /nfs/dbraw/zinc/26/79/40/617267940.db2.gz DSRAUMVJMWFLTG-NEPJUHHUSA-N 0 3 277.368 0.985 20 10 CCCDHN COc1cccc([C@H](C)N[C@H]2CCNC2=O)c1O ZINC000850482540 617309228 /nfs/dbraw/zinc/30/92/28/617309228.db2.gz TVSYMMUKNQAJOF-WPRPVWTQSA-N 0 3 250.298 0.940 20 10 CCCDHN CC1(OCC(=O)NCCc2ccc(N)cc2)CNC1 ZINC000843341223 614933252 /nfs/dbraw/zinc/93/32/52/614933252.db2.gz AKHOANIARHDRNX-UHFFFAOYSA-N 0 3 263.341 0.306 20 10 CCCDHN CCON(C)C(=O)CNCc1cc(OC)c(OC)cc1O ZINC000846062923 615337080 /nfs/dbraw/zinc/33/70/80/615337080.db2.gz CRZYLQMOZXLNFY-UHFFFAOYSA-N 0 3 298.339 0.909 20 10 CCCDHN CCOc1ccc(C[NH2+]CCN2CC[C@H](O)C2)c([O-])c1 ZINC000858339148 615511163 /nfs/dbraw/zinc/51/11/63/615511163.db2.gz POLRSJFAKNDREC-ZDUSSCGKSA-N 0 3 280.368 0.947 20 10 CCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929976315 616171094 /nfs/dbraw/zinc/17/10/94/616171094.db2.gz MYVBFFIUUUJOIA-ZFWWWQNUSA-N 0 3 281.352 0.726 20 10 CCCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929976315 616171095 /nfs/dbraw/zinc/17/10/95/616171095.db2.gz MYVBFFIUUUJOIA-ZFWWWQNUSA-N 0 3 281.352 0.726 20 10 CCCDHN COC[C@H](CO)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877491765 616672894 /nfs/dbraw/zinc/67/28/94/616672894.db2.gz WVLKHYYSEOYLNY-AWEZNQCLSA-N 0 3 294.395 0.745 20 10 CCCDHN CNS(=O)(=O)[C@H]1CCN(Cc2ccc(C)cc2O)C1 ZINC000876814011 617035185 /nfs/dbraw/zinc/03/51/85/617035185.db2.gz IAAUYXXXBRUWER-LBPRGKRZSA-N 0 3 284.381 0.824 20 10 CCCDHN C[C@H](NC(=O)NC[C@H]1CNCCO1)c1ccccc1O ZINC000892185068 622651997 /nfs/dbraw/zinc/65/19/97/622651997.db2.gz YVKSQYWWLLVNIT-WDEREUQCSA-N 0 3 279.340 0.741 20 10 CCCDHN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CCO ZINC000190240617 622774579 /nfs/dbraw/zinc/77/45/79/622774579.db2.gz KRTQCQNFQYWLKI-NSHDSACASA-N 0 3 294.351 0.619 20 10 CCCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCNC2=O)c1 ZINC000182451141 638482312 /nfs/dbraw/zinc/48/23/12/638482312.db2.gz OSMQFSGKRCLBCI-KCJUWKMLSA-N 0 3 250.298 0.940 20 10 CCCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817419725 641257517 /nfs/dbraw/zinc/25/75/17/641257517.db2.gz WYTOHYGPAOPILV-NSHDSACASA-N 0 3 259.313 0.873 20 10 CCCDHN C[C@H]([NH2+]CC(=O)N1CCNCC1)c1ccc(F)cc1[O-] ZINC000817945821 641280866 /nfs/dbraw/zinc/28/08/66/641280866.db2.gz MUKZHNVDKUFSFX-JTQLQIEISA-N 0 3 281.331 0.614 20 10 CCCDHN O[C@@H]1COC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000830648634 642281000 /nfs/dbraw/zinc/28/10/00/642281000.db2.gz OVMIJEXZEVJWNF-UKRRQHHQSA-N 0 3 296.342 0.512 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(CO)OC ZINC000848560703 643652001 /nfs/dbraw/zinc/65/20/01/643652001.db2.gz QEFXGOJAEYZWEP-CYBMUJFWSA-N 0 3 255.314 0.888 20 10 CCCDHN O=C1OC[C@@]2(C[NH2+]Cc3ccccc3[O-])COCCN12 ZINC000865770601 645415144 /nfs/dbraw/zinc/41/51/44/645415144.db2.gz SVLGIBPCZQBITF-CQSZACIVSA-N 0 3 278.308 0.703 20 10 CCCDHN O=C1NCCN1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000886745300 648007038 /nfs/dbraw/zinc/00/70/38/648007038.db2.gz SWGRNXPASUQACD-LLVKDONJSA-N 0 3 261.325 0.994 20 10 CCCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CO)C[C@@H]1CCCO1 ZINC000929969757 648807816 /nfs/dbraw/zinc/80/78/16/648807816.db2.gz DADYPCWETODBGW-KGLIPLIRSA-N 0 3 281.352 0.726 20 10 CCCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CO)C[C@@H]1CCCO1 ZINC000929969757 648807820 /nfs/dbraw/zinc/80/78/20/648807820.db2.gz DADYPCWETODBGW-KGLIPLIRSA-N 0 3 281.352 0.726 20 10 CCCDHN C[C@@H]([NH2+]C[C@@H](O)C1(O)CCOCC1)c1ccccc1[O-] ZINC000931555212 649004755 /nfs/dbraw/zinc/00/47/55/649004755.db2.gz VGBJHCFIELATTA-BXUZGUMPSA-N 0 3 281.352 0.945 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(F)cc(C)c1O ZINC001236057645 806541610 /nfs/dbraw/zinc/54/16/10/806541610.db2.gz BZGYETCFJBLJJQ-LBPRGKRZSA-N 0 3 282.315 0.787 20 10 CCCDHN COc1cc(CN2CC[C@H](CO)[C@@H](O)C2)c(O)c(OC)c1 ZINC001237669842 806708310 /nfs/dbraw/zinc/70/83/10/806708310.db2.gz PGOFTMHYKICYMZ-MFKMUULPSA-N 0 3 297.351 0.585 20 10 CCCDHN [NH3+]C[C@@H]1[C@H](C(=O)NCc2c([O-])cccc2F)C1(F)F ZINC001122173239 799161188 /nfs/dbraw/zinc/16/11/88/799161188.db2.gz KQDISLHLVOWWTB-GMSGAONNSA-N 0 3 274.242 0.988 20 10 CCCDHN Cc1c(O)ccc(CN2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC001140744852 799937710 /nfs/dbraw/zinc/93/77/10/799937710.db2.gz NHSOMVIBJDRWBR-OCCSQVGLSA-N 0 3 278.352 0.921 20 10 CCCDHN CN(Cc1ccc2c(c1)OCCN2C)C[C@H](O)CO ZINC001141141981 799984578 /nfs/dbraw/zinc/98/45/78/799984578.db2.gz BXFHQNBYHAYUOD-LBPRGKRZSA-N 0 3 266.341 0.300 20 10 CCCDHN CN1CCOc2cc(CN3CC[C@@H](CO)[C@@H](O)C3)ccc21 ZINC001141140252 799985128 /nfs/dbraw/zinc/98/51/28/799985128.db2.gz JUPVAASVYKMGSH-ZFWWWQNUSA-N 0 3 292.379 0.690 20 10 CCCDHN C[C@]1(CO)CN(Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141155897 799985616 /nfs/dbraw/zinc/98/56/16/799985616.db2.gz AFOIXXRTTRKKDF-ZIAGYGMSSA-N 0 3 267.325 0.663 20 10 CCCDHN COc1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001203620422 803037801 /nfs/dbraw/zinc/03/78/01/803037801.db2.gz FBZBHZPGHCIFGC-ZDUSSCGKSA-N 0 3 278.352 0.917 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001204276542 803076925 /nfs/dbraw/zinc/07/69/25/803076925.db2.gz MONTUNJQUBIOSA-CMPLNLGQSA-N 0 3 253.298 0.273 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001204276542 803076931 /nfs/dbraw/zinc/07/69/31/803076931.db2.gz MONTUNJQUBIOSA-CMPLNLGQSA-N 0 3 253.298 0.273 20 10 CCCDHN Nc1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000405343335 803876419 /nfs/dbraw/zinc/87/64/19/803876419.db2.gz FAYLJJOCMSOCAB-QWHCGFSZSA-N 0 3 276.340 0.552 20 10 CCCDHN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000711711047 820075560 /nfs/dbraw/zinc/07/55/60/820075560.db2.gz DJJQTZWWULLVQU-SCZZXKLOSA-N 0 3 299.348 0.644 20 10 CCCDHN COc1cccc(CN2C[C@@H]3COC[C@H](C2)N3C)c1O ZINC001275273601 848682764 /nfs/dbraw/zinc/68/27/64/848682764.db2.gz SGDQKJYMTJXIFG-BETUJISGSA-N 0 3 278.352 0.916 20 10 CCCDHN C[C@H](CNCc1cc2c(cc1O)OCO2)S(C)(=O)=O ZINC000697613083 855621084 /nfs/dbraw/zinc/62/10/84/855621084.db2.gz JKTXOCVQTPMRTR-MRVPVSSYSA-N 0 3 287.337 0.644 20 10 CCCDHN Cn1ncc(CN)c1C(=O)NCCc1ccc(N)cc1 ZINC001119291370 856614744 /nfs/dbraw/zinc/61/47/44/856614744.db2.gz NLICELUKJGXCNI-UHFFFAOYSA-N 0 3 273.340 0.434 20 10 CCCDHN C[C@]1(CO)C[N@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC001203549908 897677449 /nfs/dbraw/zinc/67/74/49/897677449.db2.gz CBFFNJGAMQWGJJ-ZIAGYGMSSA-N 0 3 251.326 0.957 20 10 CCCDHN C[C@]1(CO)C[N@@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC001203549908 897677453 /nfs/dbraw/zinc/67/74/53/897677453.db2.gz CBFFNJGAMQWGJJ-ZIAGYGMSSA-N 0 3 251.326 0.957 20 10 CCCDHN O=C(NCc1c([O-])cccc1F)[C@]1(F)CC[NH2+]C1 ZINC001342612852 923019781 /nfs/dbraw/zinc/01/97/81/923019781.db2.gz IYGZDNUWXZUTMC-LBPRGKRZSA-N 0 3 256.252 0.849 20 10 CCCDHN COCC[C@@H]([NH3+])C(=O)NCc1c([O-])cccc1F ZINC001342613242 923025988 /nfs/dbraw/zinc/02/59/88/923025988.db2.gz LXWBYRRHZMPISG-SNVBAGLBSA-N 0 3 256.277 0.511 20 10 CCCDHN O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1c([O-])cccc1F ZINC001344822785 923698219 /nfs/dbraw/zinc/69/82/19/923698219.db2.gz XVUAEVBQWNKKDW-NSHDSACASA-N 0 3 295.314 0.016 20 10 CCCDHN CCNC(=O)[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000042879809 348300201 /nfs/dbraw/zinc/30/02/01/348300201.db2.gz CNXHSHSYOITKQT-QMMMGPOBSA-N 0 3 266.297 0.735 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000225329567 352002067 /nfs/dbraw/zinc/00/20/67/352002067.db2.gz HGOIVIPDYSRRHT-ZDUSSCGKSA-N 0 3 279.384 0.736 20 10 CCCDHN COc1cccc(CN[C@H]2CC(=O)N(C)C2)c1O ZINC000263792687 352594447 /nfs/dbraw/zinc/59/44/47/352594447.db2.gz YMGQLHKCFRCCSB-JTQLQIEISA-N 0 3 250.298 0.721 20 10 CCCDHN Cc1cc(CN2C[C@H](O)[C@@H](O)C2)ccc1N(C)C ZINC000294260675 353882772 /nfs/dbraw/zinc/88/27/72/353882772.db2.gz UZXWLUFZFFZQHV-KBPBESRZSA-N 0 3 250.342 0.598 20 10 CCCDHN C[C@@H](O)CN1CCN(Cc2ccccc2O)CC1 ZINC000188734397 388938892 /nfs/dbraw/zinc/93/88/92/388938892.db2.gz VTEIUMUQBOEALW-GFCCVEGCSA-N 0 3 250.342 0.891 20 10 CCCDHN C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132914984 389228731 /nfs/dbraw/zinc/22/87/31/389228731.db2.gz VJYQDLHMWDBMOA-JTQLQIEISA-N 0 3 281.331 0.626 20 10 CCCDHN CNC(=O)C(C)(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000120347613 262193467 /nfs/dbraw/zinc/19/34/67/262193467.db2.gz QTJCJVYKGICAJZ-UHFFFAOYSA-N 0 3 280.324 0.983 20 10 CCCDHN COC[C@@H](CCO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000219120546 329147484 /nfs/dbraw/zinc/14/74/84/329147484.db2.gz PYWMHVAKXDHDNL-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN CN[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000052395889 522317793 /nfs/dbraw/zinc/31/77/93/522317793.db2.gz TZOFCILUCNRMTO-LBPRGKRZSA-N 0 3 277.368 0.952 20 10 CCCDHN CN1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1=O ZINC000084061315 524024666 /nfs/dbraw/zinc/02/46/66/524024666.db2.gz VFJIZNXPKJMVGK-SNVBAGLBSA-N 0 3 278.308 0.831 20 10 CCCDHN C[C@@H]1CCNC(=O)[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000193673709 524529086 /nfs/dbraw/zinc/52/90/86/524529086.db2.gz UIXPMMNJZGAJAW-OQPBUACISA-N 0 3 278.308 0.735 20 10 CCCDHN COc1ccc(CNC(=O)CNC[C@H]2CCCO2)c(O)c1 ZINC000832177572 617253480 /nfs/dbraw/zinc/25/34/80/617253480.db2.gz ASQCMCPNTQXFSQ-CYBMUJFWSA-N 0 3 294.351 0.786 20 10 CCCDHN COc1ccc(N(C)CCN(C)C[C@H](O)CO)cc1 ZINC000930850692 617267098 /nfs/dbraw/zinc/26/70/98/617267098.db2.gz YHEICEYQWWDGHE-ZDUSSCGKSA-N 0 3 268.357 0.416 20 10 CCCDHN COc1ccc(N2CCN(C(=O)[C@@H](C)N)CC2)c(OC)c1 ZINC000877228139 617267674 /nfs/dbraw/zinc/26/76/74/617267674.db2.gz UUWFDUPJACBJOD-LLVKDONJSA-N 0 3 293.367 0.700 20 10 CCCDHN CC(=O)C(=O)COC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885480873 613660025 /nfs/dbraw/zinc/66/00/25/613660025.db2.gz DXIMYEMQEQPYTO-JTQLQIEISA-N 0 3 283.324 0.725 20 10 CCCDHN CC(=O)c1cc(F)cc(CN(CC[NH3+])CCO)c1[O-] ZINC000843368177 614249191 /nfs/dbraw/zinc/24/91/91/614249191.db2.gz OALWVFWAJHGTDC-UHFFFAOYSA-N 0 3 270.304 0.487 20 10 CCCDHN CCN(C)c1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000859455423 614921235 /nfs/dbraw/zinc/92/12/35/614921235.db2.gz HSWYCKYPODEZQN-KBPBESRZSA-N 0 3 250.342 0.680 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(OC)ccc2O)C1 ZINC000843434723 616423420 /nfs/dbraw/zinc/42/34/20/616423420.db2.gz MUEPYKNPTJPSFD-VXGBXAGGSA-N 0 3 295.335 0.757 20 10 CCCDHN COC(=O)[C@@H]1C[C@H](O)CN(Cc2cccc(OC)c2O)C1 ZINC000843435523 616477675 /nfs/dbraw/zinc/47/76/75/616477675.db2.gz VNXBUSYBTWVGHF-NEPJUHHUSA-N 0 3 295.335 0.757 20 10 CCCDHN COC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649555 616756918 /nfs/dbraw/zinc/75/69/18/616756918.db2.gz VZDQZLYIZUSVAB-NOZJJQNGSA-N 0 3 253.298 0.967 20 10 CCCDHN COCCN(C)CCNC(=O)c1cccc(O)c1O ZINC000126390797 616961969 /nfs/dbraw/zinc/96/19/69/616961969.db2.gz XNYHUEGGFYRBIX-UHFFFAOYSA-N 0 3 268.313 0.406 20 10 CCCDHN CO[C@@H](CN)C(=O)NCCCSc1nccs1 ZINC000884138696 617163656 /nfs/dbraw/zinc/16/36/56/617163656.db2.gz WLURSCNHYPPOBJ-QMMMGPOBSA-N 0 3 275.399 0.715 20 10 CCCDHN C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccccc1[O-] ZINC000903279108 634549733 /nfs/dbraw/zinc/54/97/33/634549733.db2.gz ILKOIXJSVAKBTF-WFASDCNBSA-N 0 3 280.368 0.736 20 10 CCCDHN CS(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000179557456 638234151 /nfs/dbraw/zinc/23/41/51/638234151.db2.gz KBXMHXGJBCUPGE-GFCCVEGCSA-N 0 3 284.381 0.906 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccnn1C ZINC000922972072 639988670 /nfs/dbraw/zinc/98/86/70/639988670.db2.gz FPUFLAZPXMNXOC-CYBMUJFWSA-N 0 3 277.324 0.958 20 10 CCCDHN C[C@H](NC(=O)[C@@H](N)CN(C)C)c1ccccc1O ZINC000877256837 646770770 /nfs/dbraw/zinc/77/07/70/646770770.db2.gz GBCNHPKPEQYEEO-ONGXEEELSA-N 0 3 251.330 0.458 20 10 CCCDHN O[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000877749234 646837793 /nfs/dbraw/zinc/83/77/93/646837793.db2.gz QYQNOVVUUHAUFO-CVEARBPZSA-N 0 3 292.379 0.451 20 10 CCCDHN COCCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650500 647089688 /nfs/dbraw/zinc/08/96/88/647089688.db2.gz FAIPRAHGOMCMDN-QWHCGFSZSA-N 0 3 282.384 0.982 20 10 CCCDHN COc1cc(CN2CCc3nncn3CC2)c(O)cc1O ZINC001231632977 805823148 /nfs/dbraw/zinc/82/31/48/805823148.db2.gz GWBMZRZJUGJPBC-UHFFFAOYSA-N 0 3 290.323 0.756 20 10 CCCDHN OC[C@H]1CN(Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141156571 799985681 /nfs/dbraw/zinc/98/56/81/799985681.db2.gz NNFQKGSOOFFWJX-ZWNOBZJWSA-N 0 3 253.298 0.273 20 10 CCCDHN Cc1[nH]cnc1CC(=O)NCc1cccc(O)c1O ZINC001153798123 800668715 /nfs/dbraw/zinc/66/87/15/800668715.db2.gz MXCMQWBIEJEVDJ-UHFFFAOYSA-N 0 3 261.281 0.988 20 10 CCCDHN NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2O1 ZINC001277192022 805334013 /nfs/dbraw/zinc/33/40/13/805334013.db2.gz JLHAOTAGBGHTCH-QKCSRTOESA-N 0 3 292.335 0.563 20 10 CCCDHN NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2O1 ZINC001277192022 805334023 /nfs/dbraw/zinc/33/40/23/805334023.db2.gz JLHAOTAGBGHTCH-QKCSRTOESA-N 0 3 292.335 0.563 20 10 CCCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC001249201461 807547598 /nfs/dbraw/zinc/54/75/98/807547598.db2.gz TUFIBFMXYFYWSI-LBPRGKRZSA-N 0 3 279.336 0.922 20 10 CCCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC001249201461 807547601 /nfs/dbraw/zinc/54/76/01/807547601.db2.gz TUFIBFMXYFYWSI-LBPRGKRZSA-N 0 3 279.336 0.922 20 10 CCCDHN CN1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001270575315 813820094 /nfs/dbraw/zinc/82/00/94/813820094.db2.gz JKGGEWBYHOFVMF-NEPJUHHUSA-N 0 3 276.336 0.803 20 10 CCCDHN [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC[C@H]1O ZINC001206087287 839413753 /nfs/dbraw/zinc/41/37/53/839413753.db2.gz PQILUFXUIUDUCH-ZYHUDNBSSA-N 0 3 256.733 0.940 20 10 CCCDHN OC[C@@H]1C[C@H](F)CN1Cc1c(O)cc(O)cc1O ZINC001144500704 840066859 /nfs/dbraw/zinc/06/68/59/840066859.db2.gz ZNLOZPYHOLSRGO-YUMQZZPRSA-N 0 3 257.261 0.708 20 10 CCCDHN NC(=O)[C@H]1CCCCN1Cc1c(O)cc(O)cc1O ZINC001144509291 840072226 /nfs/dbraw/zinc/07/22/26/840072226.db2.gz RXXYCJGLOPNXLH-SNVBAGLBSA-N 0 3 266.297 0.643 20 10 CCCDHN CN1CC[C@@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836543 848573388 /nfs/dbraw/zinc/57/33/88/848573388.db2.gz JHKGHPXLQIHWFY-HNNXBMFYSA-N 0 3 292.335 0.858 20 10 CCCDHN Cc1c(O)ccc(CN2C[C@@H]3OCCN(C)[C@H]3C2)c1O ZINC001276113025 848930962 /nfs/dbraw/zinc/93/09/62/848930962.db2.gz NHSOMVIBJDRWBR-JSGCOSHPSA-N 0 3 278.352 0.921 20 10 CCCDHN COC(=O)[C@@H]1C[NH+](Cc2ccccc2[O-])C[C@H]1C(=O)OC ZINC001333841459 919203270 /nfs/dbraw/zinc/20/32/70/919203270.db2.gz OIFDPIDOCZKAMO-VXGBXAGGSA-N 0 3 293.319 0.786 20 10 CCCDHN O=C(C[NH2+]C[C@H]1CCCO1)NCc1c([O-])cccc1F ZINC001342535292 922992382 /nfs/dbraw/zinc/99/23/82/922992382.db2.gz GRZCZXXJJRSZJN-SNVBAGLBSA-N 0 3 282.315 0.916 20 10 CCCDHN O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1c([O-])cccc1F ZINC001344821066 923699265 /nfs/dbraw/zinc/69/92/65/923699265.db2.gz DTVQJOMMOWGQRK-AWEZNQCLSA-N 0 3 282.315 0.652 20 10 CCCDHN CCOc1ccc(O)c(CN2C[C@@H](O)C[C@H]2CO)c1 ZINC000187666349 351550240 /nfs/dbraw/zinc/55/02/40/351550240.db2.gz HXWBQISJETXQHG-RYUDHWBXSA-N 0 3 267.325 0.718 20 10 CCCDHN CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297453177 200195932 /nfs/dbraw/zinc/19/59/32/200195932.db2.gz XDAHOTQYZNQKSK-LLVKDONJSA-N 0 3 284.381 0.861 20 10 CCCDHN COC[C@@](C)(CCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000267374805 389369938 /nfs/dbraw/zinc/36/99/38/389369938.db2.gz QUPILCVIYQMBRJ-CQSZACIVSA-N 0 3 283.324 0.998 20 10 CCCDHN C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1[O-] ZINC000179898555 389664463 /nfs/dbraw/zinc/66/44/63/389664463.db2.gz PGHUOTROVKUIQM-LLVKDONJSA-N 0 3 264.325 0.902 20 10 CCCDHN CN(C)c1ccc(CN(C)S(=O)(=O)CCN)cc1 ZINC000032119600 171711231 /nfs/dbraw/zinc/71/12/31/171711231.db2.gz LVAMAWPUZSYFTQ-UHFFFAOYSA-N 0 3 271.386 0.473 20 10 CCCDHN COc1cccc(C[NH2+]CCCOCCO)c1[O-] ZINC000227333779 329271970 /nfs/dbraw/zinc/27/19/70/329271970.db2.gz QQGSOYYLTRJPRP-UHFFFAOYSA-N 0 3 255.314 0.889 20 10 CCCDHN COC[C@@H](CO)NCc1cc(OC)c(OC)cc1O ZINC000279789855 522304526 /nfs/dbraw/zinc/30/45/26/522304526.db2.gz MFDUOGGYNDBBQC-SNVBAGLBSA-N 0 3 271.313 0.506 20 10 CCCDHN COc1ccc(CNCCNS(C)(=O)=O)cc1C ZINC000037241669 524070454 /nfs/dbraw/zinc/07/04/54/524070454.db2.gz SXOYHNFHRFWYDF-UHFFFAOYSA-N 0 3 272.370 0.642 20 10 CCCDHN COC[C@@H](CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000793325454 581295104 /nfs/dbraw/zinc/29/51/04/581295104.db2.gz RHQOVHSZNPGHDK-CYBMUJFWSA-N 0 3 298.358 0.759 20 10 CCCDHN CCOCc1cc(CNC[C@H](O)CO)ccc1OC ZINC000785979840 581425367 /nfs/dbraw/zinc/42/53/67/581425367.db2.gz CVJUJOMDZAJSOT-ZDUSSCGKSA-N 0 3 269.341 0.675 20 10 CCCDHN OC[C@@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000785979626 581426124 /nfs/dbraw/zinc/42/61/24/581426124.db2.gz ABAKHKCQMMPQFG-LBPRGKRZSA-N 0 3 284.331 0.105 20 10 CCCDHN C[C@@H](NCC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000775256375 582016828 /nfs/dbraw/zinc/01/68/28/582016828.db2.gz YIWPPLVVQBXCIM-LLVKDONJSA-N 0 3 263.341 0.659 20 10 CCCDHN COc1cc(C)cc(CN2CC[C@H](NC(N)=O)C2)c1O ZINC000894092908 617175509 /nfs/dbraw/zinc/17/55/09/617175509.db2.gz AAXJZHPUEVWGQW-NSHDSACASA-N 0 3 279.340 0.952 20 10 CCCDHN COc1ccc(O)c(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000897619387 617272795 /nfs/dbraw/zinc/27/27/95/617272795.db2.gz VNLRYFWLCMKOTF-TXEJJXNPSA-N 0 3 297.376 0.877 20 10 CCCDHN CC(=O)NCCN(C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000842635747 613735804 /nfs/dbraw/zinc/73/58/04/613735804.db2.gz QQOXIMKEIZEWGK-ZDUSSCGKSA-N 0 3 280.324 0.386 20 10 CCCDHN CC(=O)NCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000842635747 613735809 /nfs/dbraw/zinc/73/58/09/613735809.db2.gz QQOXIMKEIZEWGK-ZDUSSCGKSA-N 0 3 280.324 0.386 20 10 CCCDHN CC(=O)NCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000842635747 613735806 /nfs/dbraw/zinc/73/58/06/613735806.db2.gz QQOXIMKEIZEWGK-ZDUSSCGKSA-N 0 3 280.324 0.386 20 10 CCCDHN CCN(OC)C(=O)CNCc1cccc(OC)c1O ZINC000842768759 615075924 /nfs/dbraw/zinc/07/59/24/615075924.db2.gz UKZUHEUVIGZNDL-UHFFFAOYSA-N 0 3 268.313 0.900 20 10 CCCDHN CCOc1ccc(C[NH2+][C@@H]2COC[C@@H]2O)c([O-])c1 ZINC000865666225 615511282 /nfs/dbraw/zinc/51/12/82/615511282.db2.gz CRUVNTKMNKRZBL-YPMHNXCESA-N 0 3 253.298 0.640 20 10 CCCDHN COC(=O)CC[C@@H](N)C(=O)NCc1ccc(OC)cc1O ZINC000832178892 616569031 /nfs/dbraw/zinc/56/90/31/616569031.db2.gz ZJPCFYOAQXFHCQ-LLVKDONJSA-N 0 3 296.323 0.298 20 10 CCCDHN COC(=O)c1cn(CC[NH2+]Cc2ccc(C)cc2[O-])nn1 ZINC000877508088 616958080 /nfs/dbraw/zinc/95/80/80/616958080.db2.gz RWBGXGQIWFCXAB-UHFFFAOYSA-N 0 3 290.323 0.869 20 10 CCCDHN CNS(=O)(=O)CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000877688509 617011855 /nfs/dbraw/zinc/01/18/55/617011855.db2.gz CEEWDTZWKPIODB-UHFFFAOYSA-N 0 3 276.333 0.560 20 10 CCCDHN C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000927021248 633577340 /nfs/dbraw/zinc/57/73/40/633577340.db2.gz BJZYIDWYUFNSMA-WPRPVWTQSA-N 0 3 291.344 0.587 20 10 CCCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817419723 641258251 /nfs/dbraw/zinc/25/82/51/641258251.db2.gz WYTOHYGPAOPILV-LLVKDONJSA-N 0 3 259.313 0.873 20 10 CCCDHN Oc1cc2c(cc1CN1CCOC3(CNC3)C1)OCO2 ZINC000853250022 644094948 /nfs/dbraw/zinc/09/49/48/644094948.db2.gz YNKGNPMHKIONRB-UHFFFAOYSA-N 0 3 278.308 0.295 20 10 CCCDHN C[C@H](O)[C@@H](O)CNCc1ccc(N(C)C)c(F)c1 ZINC000865738685 645406427 /nfs/dbraw/zinc/40/64/27/645406427.db2.gz JEHIWPDTOMGKEB-ZANVPECISA-N 0 3 256.321 0.723 20 10 CCCDHN C[C@@H]([NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000931555252 649005372 /nfs/dbraw/zinc/00/53/72/649005372.db2.gz WBFQRLWCUIINFK-TYNCELHUSA-N 0 3 281.352 0.945 20 10 CCCDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c(OC)c1 ZINC001277589242 805869301 /nfs/dbraw/zinc/86/93/01/805869301.db2.gz YAOUSJHIXVGYLB-RFAUZJTJSA-N 0 3 292.335 0.717 20 10 CCCDHN COc1cc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c(OC)c1 ZINC001277589242 805869309 /nfs/dbraw/zinc/86/93/09/805869309.db2.gz YAOUSJHIXVGYLB-RFAUZJTJSA-N 0 3 292.335 0.717 20 10 CCCDHN CC(C)(O)CN1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487818 806064280 /nfs/dbraw/zinc/06/42/80/806064280.db2.gz SYASTNNWNQEZAW-UHFFFAOYSA-N 0 3 296.367 0.692 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)cc1O ZINC001236056585 806538986 /nfs/dbraw/zinc/53/89/86/806538986.db2.gz KCAICSHKDLEUCT-ZDUSSCGKSA-N 0 3 293.367 0.405 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1c(C)cccc1O ZINC001236058724 806540748 /nfs/dbraw/zinc/54/07/48/806540748.db2.gz ULSRAUFTWIXTNW-LBPRGKRZSA-N 0 3 264.325 0.647 20 10 CCCDHN CN1CC[C@@](O)(CNC(=O)NCc2ccc(N)cc2)C1 ZINC001120677438 798912441 /nfs/dbraw/zinc/91/24/41/798912441.db2.gz QLPFFECHZBVOTM-CQSZACIVSA-N 0 3 278.356 0.135 20 10 CCCDHN CCN(Cc1ccccc1O)S(=O)(=O)CCN ZINC001239110434 806852603 /nfs/dbraw/zinc/85/26/03/806852603.db2.gz GTWQODFBMODSSQ-UHFFFAOYSA-N 0 3 258.343 0.503 20 10 CCCDHN C[S@](=O)CC[C@H](N)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872674 802037398 /nfs/dbraw/zinc/03/73/98/802037398.db2.gz OVBQWHHTVAKHFM-YUNKPMOVSA-N 0 3 296.392 0.373 20 10 CCCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CN ZINC001161134546 802097878 /nfs/dbraw/zinc/09/78/78/802097878.db2.gz CADKYMUWWPBTOH-ZDUSSCGKSA-N 0 3 264.373 0.387 20 10 CCCDHN COc1cccc(CN2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001203589046 803036317 /nfs/dbraw/zinc/03/63/17/803036317.db2.gz BXJMKOBQSVIALC-DZGCQCFKSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(CN2CC(N3CCN(C)CC3)C2)c(O)c1 ZINC001203634846 803040324 /nfs/dbraw/zinc/04/03/24/803040324.db2.gz XVVJRWMWCXUISB-UHFFFAOYSA-N 0 3 291.395 0.832 20 10 CCCDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275839 803074514 /nfs/dbraw/zinc/07/45/14/803074514.db2.gz CSQHMLNOBDRBNS-NHYWBVRUSA-N 0 3 293.319 0.719 20 10 CCCDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275839 803074519 /nfs/dbraw/zinc/07/45/19/803074519.db2.gz CSQHMLNOBDRBNS-NHYWBVRUSA-N 0 3 293.319 0.719 20 10 CCCDHN NS(=O)(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001260084418 808850566 /nfs/dbraw/zinc/85/05/66/808850566.db2.gz OLIYSEZUBYEMKF-UHFFFAOYSA-N 0 3 285.369 0.150 20 10 CCCDHN NS(=O)(=O)NC1CCN(Cc2ccccc2O)CC1 ZINC001260084418 808850571 /nfs/dbraw/zinc/85/05/71/808850571.db2.gz OLIYSEZUBYEMKF-UHFFFAOYSA-N 0 3 285.369 0.150 20 10 CCCDHN COCCNCC(=O)NCc1c(O)cccc1F ZINC001358168218 926648896 /nfs/dbraw/zinc/64/88/96/926648896.db2.gz PQJQPRVHSQBCOH-UHFFFAOYSA-N 0 3 256.277 0.384 20 10 CCCDHN COCCN(CCN(C)C)C(=O)Cc1ccc(O)c(O)c1 ZINC001443716399 929683655 /nfs/dbraw/zinc/68/36/55/929683655.db2.gz GJAXZRQTKCDSQA-UHFFFAOYSA-N 0 3 296.367 0.677 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]CCCOCCO)OCO2 ZINC000227333786 352045159 /nfs/dbraw/zinc/04/51/59/352045159.db2.gz BSQZCGBAHULXMK-UHFFFAOYSA-N 0 3 269.297 0.610 20 10 CCCDHN COc1cccc(CN2CC[C@H](NC(N)=O)C2)c1O ZINC000271377799 353033214 /nfs/dbraw/zinc/03/32/14/353033214.db2.gz REACTSOQCATGHX-JTQLQIEISA-N 0 3 265.313 0.643 20 10 CCCDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000371464004 357370599 /nfs/dbraw/zinc/37/05/99/357370599.db2.gz NHACBQROPLTMTO-GFCCVEGCSA-N 0 3 284.381 0.906 20 10 CCCDHN CN(C)c1ccc(CNCCNS(C)(=O)=O)cc1 ZINC000020202863 171066670 /nfs/dbraw/zinc/06/66/70/171066670.db2.gz XCXMXDYGMIXBNS-UHFFFAOYSA-N 0 3 271.386 0.391 20 10 CCCDHN CCN(CCO)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000184543550 262022897 /nfs/dbraw/zinc/02/28/97/262022897.db2.gz KXMCIKSKJSGVSK-UHFFFAOYSA-N 0 3 282.340 0.525 20 10 CCCDHN C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1[O-] ZINC000179902788 329213603 /nfs/dbraw/zinc/21/36/03/329213603.db2.gz FZINUOIDIWRMKB-SNVBAGLBSA-N 0 3 272.370 0.982 20 10 CCCDHN CNS(=O)(=O)CCNCc1cccc(C)c1O ZINC000188543405 329369665 /nfs/dbraw/zinc/36/96/65/329369665.db2.gz WYSWOBVMYQQOCI-UHFFFAOYSA-N 0 3 258.343 0.339 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)C1CC1)OCO2 ZINC000071303221 526336598 /nfs/dbraw/zinc/33/65/98/526336598.db2.gz JJBWKWNVZHSMDT-NSHDSACASA-N 0 3 251.282 0.981 20 10 CCCDHN COC[C@H](CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000793325456 581295118 /nfs/dbraw/zinc/29/51/18/581295118.db2.gz RHQOVHSZNPGHDK-ZDUSSCGKSA-N 0 3 298.358 0.759 20 10 CCCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](CO)C2CC2)cc1 ZINC000771815867 581824464 /nfs/dbraw/zinc/82/44/64/581824464.db2.gz DNJZRESWVZOJQB-HNNXBMFYSA-N 0 3 291.395 0.729 20 10 CCCDHN CCOc1cccc(C[NH2+]CCc2nnnn2C)c1[O-] ZINC000771875164 581832017 /nfs/dbraw/zinc/83/20/17/581832017.db2.gz DUALRGIASXICPW-UHFFFAOYSA-N 0 3 277.328 0.647 20 10 CCCDHN COc1cc(Cl)cc(CN(CCO)CCO)c1O ZINC000862429198 617196228 /nfs/dbraw/zinc/19/62/28/617196228.db2.gz DTBAFNVBPPHRSM-UHFFFAOYSA-N 0 3 275.732 0.841 20 10 CCCDHN COc1cc(Cl)cc(C[NH+](CCO)CCO)c1[O-] ZINC000862429198 617196230 /nfs/dbraw/zinc/19/62/30/617196230.db2.gz DTBAFNVBPPHRSM-UHFFFAOYSA-N 0 3 275.732 0.841 20 10 CCCDHN COc1ccc(CN[C@@]2(C)CCNC2=O)c(O)c1OC ZINC000897867688 617259864 /nfs/dbraw/zinc/25/98/64/617259864.db2.gz ZAKBAIOICLKCKS-AWEZNQCLSA-N 0 3 280.324 0.778 20 10 CCCDHN COc1cccc(CN2C[C@@H](O)[C@H](OC)C2)c1O ZINC000825016363 617297896 /nfs/dbraw/zinc/29/78/96/617297896.db2.gz BSSRFRHOWPOGFN-ZYHUDNBSSA-N 0 3 253.298 0.592 20 10 CCCDHN CN(Cc1cc2c(cc1O)OCO2)C[C@H]1COCCO1 ZINC000853558351 616165223 /nfs/dbraw/zinc/16/52/23/616165223.db2.gz HRLAQRYNWMBDMU-NSHDSACASA-N 0 3 281.308 0.968 20 10 CCCDHN CN1CCOC[C@@]1(CO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903276799 616249435 /nfs/dbraw/zinc/24/94/35/616249435.db2.gz CCRVYKACEXWHPP-BBRMVZONSA-N 0 3 292.379 0.662 20 10 CCCDHN COC(=O)CC[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000827209598 616568248 /nfs/dbraw/zinc/56/82/48/616568248.db2.gz AZNKYBIJSZBZSP-LLVKDONJSA-N 0 3 280.324 0.631 20 10 CCCDHN COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(OC)ccc2O)C1 ZINC000843434719 616706906 /nfs/dbraw/zinc/70/69/06/616706906.db2.gz MUEPYKNPTJPSFD-NWDGAFQWSA-N 0 3 295.335 0.757 20 10 CCCDHN COC(=O)[C@]1(O)CCN(Cc2cccc(OC)c2O)C1 ZINC000895706147 616787829 /nfs/dbraw/zinc/78/78/29/616787829.db2.gz DDTDMUVCBVOGJJ-AWEZNQCLSA-N 0 3 281.308 0.511 20 10 CCCDHN CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000927021443 648538700 /nfs/dbraw/zinc/53/87/00/648538700.db2.gz BREDTXKTGUNFNW-GHMZBOCLSA-N 0 3 285.365 0.375 20 10 CCCDHN COc1ccc(O)c(CN2CCN(CCO)[C@H](C)C2)c1 ZINC000190240876 649438686 /nfs/dbraw/zinc/43/86/86/649438686.db2.gz OEYZNKYNINGOSP-GFCCVEGCSA-N 0 3 280.368 0.899 20 10 CCCDHN COc1ccc(CN2CC3(C[C@@H]3C(N)=O)C2)c(O)c1 ZINC001277454448 805596623 /nfs/dbraw/zinc/59/66/23/805596623.db2.gz RXIFVRVHJZMKRZ-LLVKDONJSA-N 0 3 262.309 0.708 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)cc1 ZINC001236053626 806536171 /nfs/dbraw/zinc/53/61/71/806536171.db2.gz ZVEHXLLBAFJQJE-AWEZNQCLSA-N 0 3 277.368 0.699 20 10 CCCDHN COc1ccc(O)c(CN2CCN(CCCO)CC2)c1 ZINC001203670371 803041717 /nfs/dbraw/zinc/04/17/17/803041717.db2.gz PNYCXOWHJKEXDH-UHFFFAOYSA-N 0 3 280.368 0.901 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001204275808 803075261 /nfs/dbraw/zinc/07/52/61/803075261.db2.gz BSBXNRRJFZSKHX-MFKMUULPSA-N 0 3 253.298 0.273 20 10 CCCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001204275808 803075267 /nfs/dbraw/zinc/07/52/67/803075267.db2.gz BSBXNRRJFZSKHX-MFKMUULPSA-N 0 3 253.298 0.273 20 10 CCCDHN O=C1NCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)N1 ZINC001204277411 803076661 /nfs/dbraw/zinc/07/66/61/803076661.db2.gz DEWFZGWSMUHYDE-UHFFFAOYSA-N 0 3 277.324 0.745 20 10 CCCDHN CN(C)c1ccc([C@H](CNC(=O)CON)N(C)C)cc1 ZINC001263260110 809498716 /nfs/dbraw/zinc/49/87/16/809498716.db2.gz QUWAKJSNYONTSM-ZDUSSCGKSA-N 0 3 280.372 0.362 20 10 CCCDHN CN1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618639 816866241 /nfs/dbraw/zinc/86/62/41/816866241.db2.gz KWYVXMGTYBEECI-HNNXBMFYSA-N 0 3 276.336 0.825 20 10 CCCDHN CN1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618639 816866248 /nfs/dbraw/zinc/86/62/48/816866248.db2.gz KWYVXMGTYBEECI-HNNXBMFYSA-N 0 3 276.336 0.825 20 10 CCCDHN OC[C@H]1C[C@@H](F)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144499168 840065727 /nfs/dbraw/zinc/06/57/27/840065727.db2.gz CXZYXVYOAPOYTN-DTWKUNHWSA-N 0 3 271.288 0.956 20 10 CCCDHN NC(=O)[C@@H]1CCCCN1Cc1c(O)cc(O)cc1O ZINC001144509290 840072588 /nfs/dbraw/zinc/07/25/88/840072588.db2.gz RXXYCJGLOPNXLH-JTQLQIEISA-N 0 3 266.297 0.643 20 10 CCCDHN CC(C)(C)OC(=O)[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001253704841 851027616 /nfs/dbraw/zinc/02/76/16/851027616.db2.gz VTLROPPIFAZGHN-GFCCVEGCSA-N 0 3 283.324 0.890 20 10 CCCDHN COc1cccc(C[N@@H+]2CCCNC[C@@H]2C(=O)[O-])c1O ZINC001599674092 994865945 /nfs/dbraw/zinc/86/59/45/994865945.db2.gz ZXOZEWJGCUIZHR-LLVKDONJSA-N 0 3 280.324 0.649 20 10 CCCDHN COc1cccc(C[N@H+]2CCCNC[C@@H]2C(=O)[O-])c1O ZINC001599674092 994865960 /nfs/dbraw/zinc/86/59/60/994865960.db2.gz ZXOZEWJGCUIZHR-LLVKDONJSA-N 0 3 280.324 0.649 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]CCC(=O)N(C)C)c1 ZINC000037751787 348201127 /nfs/dbraw/zinc/20/11/27/348201127.db2.gz QMZWBTYMOCPXFQ-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN COCC[C@](C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227216237 352040625 /nfs/dbraw/zinc/04/06/25/352040625.db2.gz CDWGTRHFSFIZKA-AWEZNQCLSA-N 0 3 283.324 0.998 20 10 CCCDHN COCCN(CCO)Cc1cc2c(cc1O)OCO2 ZINC000271180709 353030445 /nfs/dbraw/zinc/03/04/45/353030445.db2.gz YZXSULASIRCNRE-UHFFFAOYSA-N 0 3 269.297 0.562 20 10 CCCDHN Cc1cccc(CN[C@H]2CCS(=O)(=O)C2)c1O ZINC000083410851 389002871 /nfs/dbraw/zinc/00/28/71/389002871.db2.gz LUPQNISXRDJZEM-NSHDSACASA-N 0 3 255.339 0.977 20 10 CCCDHN C[N@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000109769123 389099883 /nfs/dbraw/zinc/09/98/83/389099883.db2.gz NOIRQFHKNQKGJI-UHFFFAOYSA-N 0 3 277.324 0.766 20 10 CCCDHN C[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000109769123 389099886 /nfs/dbraw/zinc/09/98/86/389099886.db2.gz NOIRQFHKNQKGJI-UHFFFAOYSA-N 0 3 277.324 0.766 20 10 CCCDHN C[C@H](C[S@](C)=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000168189225 389449161 /nfs/dbraw/zinc/44/91/61/389449161.db2.gz HTPAEJQIPISOEO-NTCNTBNZSA-N 0 3 271.338 0.978 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000182662680 389713239 /nfs/dbraw/zinc/71/32/39/389713239.db2.gz XCBCDVAKEUILPE-ZDUSSCGKSA-N 0 3 253.298 0.642 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]CCCn2cc(CO)nn2)c1 ZINC000291539615 328264980 /nfs/dbraw/zinc/26/49/80/328264980.db2.gz LCAYYHQUCGHWRT-UHFFFAOYSA-N 0 3 292.339 0.665 20 10 CCCDHN CCOc1cccc(C[NH2+]CCOCCO)c1[O-] ZINC000020198705 521364202 /nfs/dbraw/zinc/36/42/02/521364202.db2.gz STGPBQWTMHUEKZ-UHFFFAOYSA-N 0 3 255.314 0.889 20 10 CCCDHN Cc1ccc(O)c(CN2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000093531381 525343923 /nfs/dbraw/zinc/34/39/23/525343923.db2.gz WBAKBFOWVGZHME-GFCCVEGCSA-N 0 3 284.381 0.824 20 10 CCCDHN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])CS(N)(=O)=O ZINC000877734738 614112132 /nfs/dbraw/zinc/11/21/32/614112132.db2.gz DZQVSELOYZWJAY-UHFFFAOYSA-N 0 3 290.360 0.936 20 10 CCCDHN CC(=O)c1cc(F)cc(CN(C)C[C@@H](O)C[NH3+])c1[O-] ZINC000842475820 614249468 /nfs/dbraw/zinc/24/94/68/614249468.db2.gz VBFUTQCFRISXJJ-NSHDSACASA-N 0 3 270.304 0.485 20 10 CCCDHN CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000848025693 615001215 /nfs/dbraw/zinc/00/12/15/615001215.db2.gz ZQPHOYFJUPOAOU-LLVKDONJSA-N 0 3 296.367 0.920 20 10 CCCDHN CCOc1ccc(O)c(CN2CC[C@@](O)(C(=O)OC)C2)c1 ZINC000895708127 615512151 /nfs/dbraw/zinc/51/21/51/615512151.db2.gz POJKDSXYSUMNIN-HNNXBMFYSA-N 0 3 295.335 0.901 20 10 CCCDHN CN(Cc1cc2c(cc1O)OCO2)[C@@]1(CO)CCOC1 ZINC000862427398 616164935 /nfs/dbraw/zinc/16/49/35/616164935.db2.gz XQEGDFVDSBDWNT-CQSZACIVSA-N 0 3 281.308 0.704 20 10 CCCDHN COCCNC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849025297 616483444 /nfs/dbraw/zinc/48/34/44/616483444.db2.gz XVNWAPWVPFOBJP-UHFFFAOYSA-N 0 3 253.302 0.661 20 10 CCCDHN CNC(=O)C1CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000894978762 616555608 /nfs/dbraw/zinc/55/56/08/616555608.db2.gz JEUJHSQESDEHDV-UHFFFAOYSA-N 0 3 264.325 0.887 20 10 CCCDHN COC(=O)CC[C@@H](N)C(=O)NCc1ccccc1O ZINC000828015736 616568530 /nfs/dbraw/zinc/56/85/30/616568530.db2.gz LFKIECSTPHIQJE-SNVBAGLBSA-N 0 3 266.297 0.289 20 10 CCCDHN C[C@@H]([NH2+]CC(=O)N1CCNCC1)c1ccc(F)cc1[O-] ZINC000817945822 641281071 /nfs/dbraw/zinc/28/10/71/641281071.db2.gz MUKZHNVDKUFSFX-SNVBAGLBSA-N 0 3 281.331 0.614 20 10 CCCDHN O=S(=O)(CCNCc1cc2c(cc1O)OCO2)C1CC1 ZINC000840964469 642799482 /nfs/dbraw/zinc/79/94/82/642799482.db2.gz LXLQFBZSTGLEMC-UHFFFAOYSA-N 0 3 299.348 0.788 20 10 CCCDHN Cc1cccc(O)c1CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000877343036 646798789 /nfs/dbraw/zinc/79/87/89/646798789.db2.gz IFBRAAXSCQCSFV-LLVKDONJSA-N 0 3 284.381 0.954 20 10 CCCDHN C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccccc1[O-] ZINC000879649216 647090241 /nfs/dbraw/zinc/09/02/41/647090241.db2.gz OBXJFSFZUWYXQQ-SECBINFHSA-N 0 3 263.297 0.595 20 10 CCCDHN COc1cc(CN2C[C@@H]3C[C@H]2CN3C)c(O)cc1O ZINC001231638480 805824028 /nfs/dbraw/zinc/82/40/28/805824028.db2.gz BYIHOAMMVHOYAL-QWRGUYRKSA-N 0 3 264.325 0.995 20 10 CCCDHN COc1cc(N(C)C)ccc1CN1C[C@H](O)[C@H](CO)C1 ZINC001231849721 805861964 /nfs/dbraw/zinc/86/19/64/805861964.db2.gz XJDOGONFORBAID-JSGCOSHPSA-N 0 3 280.368 0.546 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(OC)ccc1O ZINC001236052583 806533926 /nfs/dbraw/zinc/53/39/26/806533926.db2.gz AJJGTFMWVQGUBF-LBPRGKRZSA-N 0 3 280.324 0.348 20 10 CCCDHN COc1cc(O)c(CN2CC[C@@H](O)[C@H](CO)C2)cc1OC ZINC001236748984 806607683 /nfs/dbraw/zinc/60/76/83/806607683.db2.gz DFGIBISGDVULEU-NWDGAFQWSA-N 0 3 297.351 0.585 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237049489 806634940 /nfs/dbraw/zinc/63/49/40/806634940.db2.gz GVNMQZULJNVPNI-OCCSQVGLSA-N 0 3 281.352 0.966 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237049489 806634944 /nfs/dbraw/zinc/63/49/44/806634944.db2.gz GVNMQZULJNVPNI-OCCSQVGLSA-N 0 3 281.352 0.966 20 10 CCCDHN CN1CCN(C2CN(Cc3cc(F)ccc3O)C2)CC1 ZINC001140060060 799878496 /nfs/dbraw/zinc/87/84/96/799878496.db2.gz JGBRLAZIESSYNG-UHFFFAOYSA-N 0 3 279.359 0.963 20 10 CCCDHN Cc1c(O)ccc(CN2CC(N3CCN(C)CC3)C2)c1O ZINC001140749616 799938973 /nfs/dbraw/zinc/93/89/73/799938973.db2.gz GJYLQVRDNOZQPC-UHFFFAOYSA-N 0 3 291.395 0.838 20 10 CCCDHN O=C1NC[C@@H]2CCN(Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203882564 803050708 /nfs/dbraw/zinc/05/07/08/803050708.db2.gz LWMUPLRJBVQZCD-QWRGUYRKSA-N 0 3 262.309 0.666 20 10 CCCDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205967141 803193516 /nfs/dbraw/zinc/19/35/16/803193516.db2.gz KHMLAFWDLKDSHN-ZYHUDNBSSA-N 0 3 286.759 0.948 20 10 CCCDHN COC(=O)Cc1ccc(CN2CCNC(=O)CC2)c(O)c1 ZINC001249171836 807546559 /nfs/dbraw/zinc/54/65/59/807546559.db2.gz GMGFEESNCVJRLT-UHFFFAOYSA-N 0 3 292.335 0.430 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001237484989 817507481 /nfs/dbraw/zinc/50/74/81/817507481.db2.gz KTLAXBOLBDYEED-SMDDNHRTSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001237484989 817507491 /nfs/dbraw/zinc/50/74/91/817507491.db2.gz KTLAXBOLBDYEED-SMDDNHRTSA-N 0 3 251.326 0.876 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001203621545 844441733 /nfs/dbraw/zinc/44/17/33/844441733.db2.gz WZOJPKCVEKDGOP-LSDHHAIUSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001203621545 844441735 /nfs/dbraw/zinc/44/17/35/844441735.db2.gz WZOJPKCVEKDGOP-LSDHHAIUSA-N 0 3 281.352 0.966 20 10 CCCDHN OC[C@@H]1C[C@H]2OCCN(Cc3c(O)cc(O)cc3O)[C@H]2C1 ZINC001144504318 840069216 /nfs/dbraw/zinc/06/92/16/840069216.db2.gz PHGFENOYPWEBFV-ONENECBXSA-N 0 3 295.335 0.775 20 10 CCCDHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@@H]21 ZINC001148588126 840852342 /nfs/dbraw/zinc/85/23/42/840852342.db2.gz OXUDYFUETULUIP-ONGXEEELSA-N 0 3 292.335 0.970 20 10 CCCDHN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@@H]21 ZINC001148588126 840852353 /nfs/dbraw/zinc/85/23/53/840852353.db2.gz OXUDYFUETULUIP-ONGXEEELSA-N 0 3 292.335 0.970 20 10 CCCDHN COC(=O)[C@@H](O)CNCc1ccc(N2CCCC2)cc1 ZINC001252437726 847960293 /nfs/dbraw/zinc/96/02/93/847960293.db2.gz XFISSCZMMMLPJO-AWEZNQCLSA-N 0 3 278.352 0.910 20 10 CCCDHN C[C@H]1[C@@H](NC(=O)c2cccc(O)c2O)CCN1C ZINC000719336389 849308473 /nfs/dbraw/zinc/30/84/73/849308473.db2.gz IDIMAKNUHYKECJ-WPRPVWTQSA-N 0 3 250.298 0.920 20 10 CCCDHN CON(C)C(=O)CNCc1cc2c(cc1O)OCO2 ZINC000397535426 854429462 /nfs/dbraw/zinc/42/94/62/854429462.db2.gz GULAZLMMUZUYHI-UHFFFAOYSA-N 0 3 268.269 0.230 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]CCOCCCO ZINC001323698571 912485658 /nfs/dbraw/zinc/48/56/58/912485658.db2.gz CVRWISVFIDLXMX-UHFFFAOYSA-N 0 3 255.314 0.889 20 10 CCCDHN [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205240641 897726593 /nfs/dbraw/zinc/72/65/93/897726593.db2.gz MMTMHBZFXOKNOK-HNNXBMFYSA-N 0 3 294.351 0.766 20 10 CCCDHN [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205240641 897726602 /nfs/dbraw/zinc/72/66/02/897726602.db2.gz MMTMHBZFXOKNOK-HNNXBMFYSA-N 0 3 294.351 0.766 20 10 CCCDHN NC(=O)COC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001320159881 910488252 /nfs/dbraw/zinc/48/82/52/910488252.db2.gz RRXNTGVVAYPESH-UHFFFAOYSA-N 0 3 282.315 0.998 20 10 CCCDHN COc1cccc(CN2CC[C@@H](NC(N)=O)C2)c1O ZINC000271377805 353033204 /nfs/dbraw/zinc/03/32/04/353033204.db2.gz REACTSOQCATGHX-SNVBAGLBSA-N 0 3 265.313 0.643 20 10 CCCDHN CN(C)C(=O)CCN1CCN(Cc2ccccc2O)CC1 ZINC000271348946 353033793 /nfs/dbraw/zinc/03/37/93/353033793.db2.gz KWGUFOMJTHWSNB-UHFFFAOYSA-N 0 3 291.395 0.988 20 10 CCCDHN COc1cc(O)c(CN[C@]2(CO)CCOC2)cc1OC ZINC000273475780 353112770 /nfs/dbraw/zinc/11/27/70/353112770.db2.gz KDYJPWIHVFCSLM-AWEZNQCLSA-N 0 3 283.324 0.650 20 10 CCCDHN Cc1ccc(O)c(CNCCNS(=O)(=O)N(C)C)c1 ZINC000298091856 389012655 /nfs/dbraw/zinc/01/26/55/389012655.db2.gz MSNFFGBNTKRETK-UHFFFAOYSA-N 0 3 287.385 0.186 20 10 CCCDHN Cc1ccc([O-])c(C[NH2+]CCNS(=O)(=O)N(C)C)c1 ZINC000298091856 389012658 /nfs/dbraw/zinc/01/26/58/389012658.db2.gz MSNFFGBNTKRETK-UHFFFAOYSA-N 0 3 287.385 0.186 20 10 CCCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000093899579 327146137 /nfs/dbraw/zinc/14/61/37/327146137.db2.gz ZVPQMFOAHWEKNR-VIFPVBQESA-N 0 3 280.324 0.935 20 10 CCCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000093899579 327146138 /nfs/dbraw/zinc/14/61/38/327146138.db2.gz ZVPQMFOAHWEKNR-VIFPVBQESA-N 0 3 280.324 0.935 20 10 CCCDHN CO[C@H]1COC[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000289676315 524010166 /nfs/dbraw/zinc/01/01/66/524010166.db2.gz CEWOXMAQTBKPGL-ZANVPECISA-N 0 3 267.281 0.624 20 10 CCCDHN COc1cccc(CNC(=O)C(C)S(C)(=O)=O)c1O ZINC000729858883 581616772 /nfs/dbraw/zinc/61/67/72/581616772.db2.gz GEETUUQDIZWEES-MRVPVSSYSA-N 0 3 287.337 0.450 20 10 CCCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c1 ZINC000756557322 581671114 /nfs/dbraw/zinc/67/11/14/581671114.db2.gz SCSPCZMINJIXGX-PWSUYJOCSA-N 0 3 296.367 0.752 20 10 CCCDHN CCOc1ccc(C[NH2+]CCc2nnnn2C)c([O-])c1 ZINC000771877148 581831994 /nfs/dbraw/zinc/83/19/94/581831994.db2.gz NYQLPDOYSPGKNJ-UHFFFAOYSA-N 0 3 277.328 0.647 20 10 CCCDHN O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cc2c(cc1O)OCO2 ZINC000748261743 581967289 /nfs/dbraw/zinc/96/72/89/581967289.db2.gz JXHJXGIIAALEMP-MNOVXSKESA-N 0 3 290.319 0.974 20 10 CCCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(N)=O ZINC000774485753 581976105 /nfs/dbraw/zinc/97/61/05/581976105.db2.gz UWAYVLAQCZAFMW-VHSXEESVSA-N 0 3 278.356 0.987 20 10 CCCDHN COc1cc([O-])c(C[NH2+]CCc2nnnn2C)cc1OC ZINC000776256152 582065468 /nfs/dbraw/zinc/06/54/68/582065468.db2.gz LQTOZCPHEAIBQN-UHFFFAOYSA-N 0 3 293.327 0.265 20 10 CCCDHN COc1ccc(CNC(=O)[C@H](N)CC(F)F)c(O)c1 ZINC000832178625 617256120 /nfs/dbraw/zinc/25/61/20/617256120.db2.gz UKIBARUHPUANEV-SECBINFHSA-N 0 3 274.267 1.000 20 10 CCCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)N)C2)cc1 ZINC000851640147 617268000 /nfs/dbraw/zinc/26/80/00/617268000.db2.gz RHODNJLUFIXFIL-GHMZBOCLSA-N 0 3 263.341 0.737 20 10 CCCDHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(N)cc1 ZINC000843293659 614223976 /nfs/dbraw/zinc/22/39/76/614223976.db2.gz TYOVBPGTZJVUHV-LBPRGKRZSA-N 0 3 264.329 0.307 20 10 CCCDHN CCOc1ccc(O)c(CN2CC[C@](O)(C(=O)OC)C2)c1 ZINC000895708129 615512244 /nfs/dbraw/zinc/51/22/44/615512244.db2.gz POJKDSXYSUMNIN-OAHLLOKOSA-N 0 3 295.335 0.901 20 10 CCCDHN COC(=O)CN(C)C(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000111235169 616583589 /nfs/dbraw/zinc/58/35/89/616583589.db2.gz YXQMHKCCVVAHTN-UHFFFAOYSA-N 0 3 294.351 0.846 20 10 CCCDHN COC(=O)CN(C)C(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000111235169 616583595 /nfs/dbraw/zinc/58/35/95/616583595.db2.gz YXQMHKCCVVAHTN-UHFFFAOYSA-N 0 3 294.351 0.846 20 10 CCCDHN COCC[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000884232722 616674121 /nfs/dbraw/zinc/67/41/21/616674121.db2.gz YUGCVEWFLXRZHX-LBPRGKRZSA-N 0 3 293.367 0.842 20 10 CCCDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2c(O)cccc2OC)C1 ZINC000843433617 616724284 /nfs/dbraw/zinc/72/42/84/616724284.db2.gz AWZIAPYGWWJDQJ-QWRGUYRKSA-N 0 3 295.335 0.757 20 10 CCCDHN COC[C@@H](CO)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877491766 616868178 /nfs/dbraw/zinc/86/81/78/616868178.db2.gz WVLKHYYSEOYLNY-CQSZACIVSA-N 0 3 294.395 0.745 20 10 CCCDHN C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(F)ccc1[O-] ZINC000903277852 634549614 /nfs/dbraw/zinc/54/96/14/634549614.db2.gz CVWHFTFDWXTJER-ABAIWWIYSA-N 0 3 298.358 0.875 20 10 CCCDHN O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000897042645 632381380 /nfs/dbraw/zinc/38/13/80/632381380.db2.gz RXCAXZNMUVFXSP-ZDUSSCGKSA-N 0 3 290.363 0.855 20 10 CCCDHN NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000897058765 632384351 /nfs/dbraw/zinc/38/43/51/632384351.db2.gz RYSVEGPGXGWZLE-SNVBAGLBSA-N 0 3 270.354 0.503 20 10 CCCDHN NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000897058765 632384355 /nfs/dbraw/zinc/38/43/55/632384355.db2.gz RYSVEGPGXGWZLE-SNVBAGLBSA-N 0 3 270.354 0.503 20 10 CCCDHN Cc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)c(O)c1O ZINC000908201669 635312417 /nfs/dbraw/zinc/31/24/17/635312417.db2.gz GIBQMXNHOHQTBH-LLVKDONJSA-N 0 3 294.351 0.593 20 10 CCCDHN Cc1ccc(O)c(CN(C)CC(=O)N2CCNCC2)c1 ZINC000071409441 638573807 /nfs/dbraw/zinc/57/38/07/638573807.db2.gz NUYOLJLTRIHSRN-UHFFFAOYSA-N 0 3 277.368 0.564 20 10 CCCDHN O=C(CNC[C@@H]1CCCO1)NCc1ccccc1O ZINC000828016247 642059312 /nfs/dbraw/zinc/05/93/12/642059312.db2.gz WKUIIIFYFJEILR-LBPRGKRZSA-N 0 3 264.325 0.777 20 10 CCCDHN Nc1ccc(CCNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000851665689 643867929 /nfs/dbraw/zinc/86/79/29/643867929.db2.gz WPUZWELZNBBTMU-CHWSQXEVSA-N 0 3 280.347 0.892 20 10 CCCDHN CN(C)c1ccc(CN2CCC[C@H]2C(N)=O)c(O)c1 ZINC001232834131 805986093 /nfs/dbraw/zinc/98/60/93/805986093.db2.gz HRLVWWSBTOJGDK-LBPRGKRZSA-N 0 3 263.341 0.908 20 10 CCCDHN NCc1cc(NCCc2cc(O)c(O)cc2O)ncn1 ZINC001157239650 801330623 /nfs/dbraw/zinc/33/06/23/801330623.db2.gz HSHGPTONYCLMRC-UHFFFAOYSA-N 0 3 276.296 0.707 20 10 CCCDHN [NH3+][C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])C[C@H]1O ZINC001205363590 803137260 /nfs/dbraw/zinc/13/72/60/803137260.db2.gz NZBWSJOKCJXKOZ-MWLCHTKSSA-N 0 3 276.258 0.915 20 10 CCCDHN COC(=O)[C@@H](O)CNCc1ccc(N2CCOCC2)cc1 ZINC001252435431 807851435 /nfs/dbraw/zinc/85/14/35/807851435.db2.gz GTBWOWQPQWKZHD-AWEZNQCLSA-N 0 3 294.351 0.147 20 10 CCCDHN COC(=O)[C@@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC001252441994 847964618 /nfs/dbraw/zinc/96/46/18/847964618.db2.gz OZSIWPWVQZQGNU-GWCFXTLKSA-N 0 3 266.341 0.937 20 10 CCCDHN O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccc(O)c1[O-] ZINC001328025142 914931307 /nfs/dbraw/zinc/93/13/07/914931307.db2.gz CRZZROZKZMEDMD-NSHDSACASA-N 0 3 294.351 0.674 20 10 CCCDHN O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc(O)c1[O-] ZINC001328025142 914931323 /nfs/dbraw/zinc/93/13/23/914931323.db2.gz CRZZROZKZMEDMD-NSHDSACASA-N 0 3 294.351 0.674 20 10 CCCDHN O=C(COC1CC[NH2+]CC1)NCc1c([O-])cccc1F ZINC001358167091 926649142 /nfs/dbraw/zinc/64/91/42/926649142.db2.gz BXHXGSHCBPIZOX-UHFFFAOYSA-N 0 3 282.315 0.916 20 10 CCCDHN CN1CC[NH2+]C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001358167297 926649175 /nfs/dbraw/zinc/64/91/75/926649175.db2.gz GCUHDQTWKVGYDN-NSHDSACASA-N 0 3 267.304 0.051 20 10 CCCDHN Cc1ccc(O)c(CN2CCN(CCO)CC2)c1 ZINC000269385073 352831259 /nfs/dbraw/zinc/83/12/59/352831259.db2.gz ZHVRZMNFCUIAHB-UHFFFAOYSA-N 0 3 250.342 0.811 20 10 CCCDHN CN(C)c1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1 ZINC000285551857 353560693 /nfs/dbraw/zinc/56/06/93/353560693.db2.gz MIQFQEJZJJEJOT-ZIAGYGMSSA-N 0 3 250.342 0.944 20 10 CCCDHN C[C@@H](O)CN(CCO)Cc1ccc(N(C)C)cc1 ZINC000289361040 353687673 /nfs/dbraw/zinc/68/76/73/353687673.db2.gz AHKOAYCPEMPEAZ-GFCCVEGCSA-N 0 3 252.358 0.928 20 10 CCCDHN COc1ccc(O)c([C@H](C)NCCNS(C)(=O)=O)c1 ZINC000020203310 171067562 /nfs/dbraw/zinc/06/75/62/171067562.db2.gz NCXRXKXUEOXVOU-VIFPVBQESA-N 0 3 288.369 0.601 20 10 CCCDHN CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccccc1[O-] ZINC000277048083 519732217 /nfs/dbraw/zinc/73/22/17/519732217.db2.gz PYSOPFIBUTUTRQ-UHFFFAOYSA-N 0 3 287.385 0.314 20 10 CCCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc4c(cc3O)OCO4)C[C@@H]21 ZINC000793644896 581306411 /nfs/dbraw/zinc/30/64/11/581306411.db2.gz SHGAJKBAFOYPTE-MSRIBSCDSA-N 0 3 291.303 0.972 20 10 CCCDHN CN1CCN(c2ccc(CNC[C@](C)(O)CO)cc2)CC1 ZINC000794748033 581386817 /nfs/dbraw/zinc/38/68/17/581386817.db2.gz GIDUUKCCTBWWTH-INIZCTEOSA-N 0 3 293.411 0.271 20 10 CCCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(N)=O ZINC000774485745 581975813 /nfs/dbraw/zinc/97/58/13/581975813.db2.gz UWAYVLAQCZAFMW-NXEZZACHSA-N 0 3 278.356 0.987 20 10 CCCDHN C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccccc1[O-] ZINC000775130578 582012321 /nfs/dbraw/zinc/01/23/21/582012321.db2.gz MJDJYKGDTJXIOY-GFCCVEGCSA-N 0 3 277.368 0.817 20 10 CCCDHN COc1ccc(CN2CC[C@H](O)[C@H](CO)C2)c(O)c1OC ZINC000894937876 617251176 /nfs/dbraw/zinc/25/11/76/617251176.db2.gz UHOKGDLOTYBKOI-RYUDHWBXSA-N 0 3 297.351 0.585 20 10 CCCDHN CN(C)c1ccc([C@@H](CNC(=O)CO)N(C)C)cc1 ZINC000891249354 616018935 /nfs/dbraw/zinc/01/89/35/616018935.db2.gz RMJHLSUBMBFXJN-CYBMUJFWSA-N 0 3 265.357 0.464 20 10 CCCDHN COC(=O)[C@@]1(O)CCN(Cc2cc(OC)ccc2O)C1 ZINC000895702968 616561373 /nfs/dbraw/zinc/56/13/73/616561373.db2.gz IFSHTRVPPIACRG-CQSZACIVSA-N 0 3 281.308 0.511 20 10 CCCDHN COC(=O)CCNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653749 616561862 /nfs/dbraw/zinc/56/18/62/616561862.db2.gz VZHQVLITRWHFSV-JTQLQIEISA-N 0 3 280.324 0.722 20 10 CCCDHN COC(=O)CC[C@@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877077266 616567832 /nfs/dbraw/zinc/56/78/32/616567832.db2.gz BALNHUYMQOQXGE-LLVKDONJSA-N 0 3 265.313 0.512 20 10 CCCDHN COC(=O)CC[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000827209601 616576114 /nfs/dbraw/zinc/57/61/14/616576114.db2.gz AZNKYBIJSZBZSP-NSHDSACASA-N 0 3 280.324 0.631 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000897060809 632385727 /nfs/dbraw/zinc/38/57/27/632385727.db2.gz IAJNRPKZQKJZJE-LLVKDONJSA-N 0 3 284.381 0.811 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000897060809 632385732 /nfs/dbraw/zinc/38/57/32/632385732.db2.gz IAJNRPKZQKJZJE-LLVKDONJSA-N 0 3 284.381 0.811 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(CO)COCCN1C ZINC000922535584 639718315 /nfs/dbraw/zinc/71/83/15/639718315.db2.gz IZAFHMKDSHSUOC-OAHLLOKOSA-N 0 3 296.367 0.184 20 10 CCCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000826942652 641969953 /nfs/dbraw/zinc/96/99/53/641969953.db2.gz RRQNFJWGKCKYMI-CQSZACIVSA-N 0 3 285.315 0.789 20 10 CCCDHN O=C(c1cccc(O)c1O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861715889 644916302 /nfs/dbraw/zinc/91/63/02/644916302.db2.gz RAUCNGAOIPEVKQ-WDEREUQCSA-N 0 3 292.335 0.379 20 10 CCCDHN [O-]c1ccccc1C[NH+]1CCC(CO)(CO)CC1 ZINC000877797151 646845729 /nfs/dbraw/zinc/84/57/29/646845729.db2.gz DLGUFIQYAFIBFM-UHFFFAOYSA-N 0 3 251.326 0.959 20 10 CCCDHN COc1ccc(C[NH2+]C23CC(C(N)=O)(C2)C3)c([O-])c1 ZINC001277454546 805598547 /nfs/dbraw/zinc/59/85/47/805598547.db2.gz VRDOPSFKYPWXDU-UHFFFAOYSA-N 0 3 262.309 0.898 20 10 CCCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc(OC)c(O)cc3O)C[C@@H]21 ZINC001231637162 805825417 /nfs/dbraw/zinc/82/54/17/805825417.db2.gz GSNWPAVQYWUTGE-MSRIBSCDSA-N 0 3 293.319 0.957 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(O)ccc1O ZINC001236055077 806537317 /nfs/dbraw/zinc/53/73/17/806537317.db2.gz JDATZHLFSFCZLC-NSHDSACASA-N 0 3 266.297 0.045 20 10 CCCDHN COc1cc(O)c(CN2C[C@@H](O)[C@H](CO)C2)cc1OC ZINC001236749541 806607125 /nfs/dbraw/zinc/60/71/25/806607125.db2.gz JVESOFJIKISQGT-CMPLNLGQSA-N 0 3 283.324 0.194 20 10 CCCDHN OCC1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138497933 799736122 /nfs/dbraw/zinc/73/61/22/799736122.db2.gz RBRKXXZNHXTZCQ-UHFFFAOYSA-N 0 3 262.353 0.947 20 10 CCCDHN COc1cc(O)c(CN2CC[C@@H](O)[C@@H](CO)C2)c(OC)c1 ZINC001141031900 799974143 /nfs/dbraw/zinc/97/41/43/799974143.db2.gz NMHTVKWUUUXTBL-ZWNOBZJWSA-N 0 3 297.351 0.585 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001203620787 803037542 /nfs/dbraw/zinc/03/75/42/803037542.db2.gz IBURDXNCZVVKQF-SMDDNHRTSA-N 0 3 267.325 0.576 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c([O-])c1 ZINC001203620787 803037546 /nfs/dbraw/zinc/03/75/46/803037546.db2.gz IBURDXNCZVVKQF-SMDDNHRTSA-N 0 3 267.325 0.576 20 10 CCCDHN O=S1(=O)CC[C@@](O)(C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC001205831412 803176437 /nfs/dbraw/zinc/17/64/37/803176437.db2.gz IPJVCYNJYDVUQE-GFCCVEGCSA-N 0 3 289.328 0.171 20 10 CCCDHN COC(=O)[C@@H]1CC[C@@H](NCc2ccc(O)c(O)c2)CN1 ZINC001246277597 807205253 /nfs/dbraw/zinc/20/52/53/807205253.db2.gz JBYCRXUAAGGRJJ-MNOVXSKESA-N 0 3 280.324 0.481 20 10 CCCDHN Nc1ccc(CC(=O)N2CCC3(CC2)CNCCO3)cc1 ZINC001263223252 809485846 /nfs/dbraw/zinc/48/58/46/809485846.db2.gz CJLOYZTWMLNVLE-UHFFFAOYSA-N 0 3 289.379 0.792 20 10 CCCDHN CN1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618640 816867014 /nfs/dbraw/zinc/86/70/14/816867014.db2.gz KWYVXMGTYBEECI-OAHLLOKOSA-N 0 3 276.336 0.825 20 10 CCCDHN CN1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618640 816867019 /nfs/dbraw/zinc/86/70/19/816867019.db2.gz KWYVXMGTYBEECI-OAHLLOKOSA-N 0 3 276.336 0.825 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001203620985 844437670 /nfs/dbraw/zinc/43/76/70/844437670.db2.gz LXZWTRHQSDVESB-GJZGRUSLSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001203620985 844437672 /nfs/dbraw/zinc/43/76/72/844437672.db2.gz LXZWTRHQSDVESB-GJZGRUSLSA-N 0 3 281.352 0.966 20 10 CCCDHN CN(CCOCCO)Cc1ccc(N2CCOCC2)cc1 ZINC000172619941 350999890 /nfs/dbraw/zinc/99/98/90/350999890.db2.gz GCMYQIVHKNFVJP-UHFFFAOYSA-N 0 3 294.395 0.964 20 10 CCCDHN COc1cccc(CN2CCOC[C@@H](O)C2)c1O ZINC000294774307 199176750 /nfs/dbraw/zinc/17/67/50/199176750.db2.gz KNBNQZDDGBJTLT-NSHDSACASA-N 0 3 253.298 0.594 20 10 CCCDHN O=C1CCN(Cc2ccc(N3CCOCC3)cc2)CCN1 ZINC000093101636 389035093 /nfs/dbraw/zinc/03/50/93/389035093.db2.gz NBVKJCULEQKXDF-UHFFFAOYSA-N 0 3 289.379 0.845 20 10 CCCDHN CCOc1ccc(O)c(CN2C[C@H](O)C[C@H]2CO)c1 ZINC000359973044 389187409 /nfs/dbraw/zinc/18/74/09/389187409.db2.gz HXWBQISJETXQHG-NWDGAFQWSA-N 0 3 267.325 0.718 20 10 CCCDHN C[C@H](CC(N)=O)NCc1ccc(N2CCOCC2)cc1 ZINC000135720169 389261864 /nfs/dbraw/zinc/26/18/64/389261864.db2.gz VUVASKLOYKBUAT-GFCCVEGCSA-N 0 3 277.368 0.877 20 10 CCCDHN Cc1cccc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000180333460 389669173 /nfs/dbraw/zinc/66/91/73/389669173.db2.gz AADYJBWVBGEPQE-GFCCVEGCSA-N 0 3 284.381 0.824 20 10 CCCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2COCCN2)c1 ZINC000530182730 390875909 /nfs/dbraw/zinc/87/59/09/390875909.db2.gz YWVYYOQSQJCZCR-GFCCVEGCSA-N 0 3 266.341 0.869 20 10 CCCDHN CN(C)c1ccc(CNC(=O)C2(N)CC2)cc1F ZINC000237081584 522184719 /nfs/dbraw/zinc/18/47/19/522184719.db2.gz OGMRIFMIOCRMOM-UHFFFAOYSA-N 0 3 251.305 0.999 20 10 CCCDHN CN(C)CCOCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000779432127 581185520 /nfs/dbraw/zinc/18/55/20/581185520.db2.gz KXCBXUYQRKGQBF-UHFFFAOYSA-N 0 3 283.328 0.968 20 10 CCCDHN COc1cccc(O)c1CNC[C@H](C)S(C)(=O)=O ZINC000754086427 581574772 /nfs/dbraw/zinc/57/47/72/581574772.db2.gz YNPIAMIHUUYPMU-VIFPVBQESA-N 0 3 273.354 0.924 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(O)CCOC1 ZINC000754843266 581612490 /nfs/dbraw/zinc/61/24/90/581612490.db2.gz PRKDYGHERVZXRV-CYBMUJFWSA-N 0 3 253.298 0.642 20 10 CCCDHN CNC(=O)CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462435 582107213 /nfs/dbraw/zinc/10/72/13/582107213.db2.gz LJZHSALKHNZGTL-CYBMUJFWSA-N 0 3 294.351 0.776 20 10 CCCDHN CNC(=O)CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462435 582107214 /nfs/dbraw/zinc/10/72/14/582107214.db2.gz LJZHSALKHNZGTL-CYBMUJFWSA-N 0 3 294.351 0.776 20 10 CCCDHN COc1ccc(CN(C)CCNC(C)=O)c(O)c1OC ZINC000895109319 617247881 /nfs/dbraw/zinc/24/78/81/617247881.db2.gz ODZUIPLPUDGQSB-UHFFFAOYSA-N 0 3 282.340 0.977 20 10 CCCDHN COc1ccc(N(C)CCN(C)CCn2cnnn2)cc1 ZINC000878805978 617267112 /nfs/dbraw/zinc/26/71/12/617267112.db2.gz VPOKFUJMCAIJOG-UHFFFAOYSA-N 0 3 290.371 0.750 20 10 CCCDHN COc1ccc(N2CCN(C[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000851714729 617267910 /nfs/dbraw/zinc/26/79/10/617267910.db2.gz UUBZOCHFDFZLRN-ZDUSSCGKSA-N 0 3 289.379 0.953 20 10 CCCDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)N)C2)cc1 ZINC000851640149 617268186 /nfs/dbraw/zinc/26/81/86/617268186.db2.gz RHODNJLUFIXFIL-MNOVXSKESA-N 0 3 263.341 0.737 20 10 CCCDHN COc1ccc(O)c(CN(C)[C@]2(CO)CCOC2)c1 ZINC000862427142 617272504 /nfs/dbraw/zinc/27/25/04/617272504.db2.gz UPWUGYXNZJMYJD-AWEZNQCLSA-N 0 3 267.325 0.984 20 10 CCCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719632 617305291 /nfs/dbraw/zinc/30/52/91/617305291.db2.gz CMJGMTFBPGSJFJ-AOOOYVTPSA-N 0 3 290.319 0.447 20 10 CCCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719632 617305293 /nfs/dbraw/zinc/30/52/93/617305293.db2.gz CMJGMTFBPGSJFJ-AOOOYVTPSA-N 0 3 290.319 0.447 20 10 CCCDHN CN(C)CCCS(=O)(=O)NCc1ccccc1O ZINC000866829961 615887067 /nfs/dbraw/zinc/88/70/67/615887067.db2.gz NZIKQKIDHJIQMU-UHFFFAOYSA-N 0 3 272.370 0.763 20 10 CCCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCO)N(C)C)cc1 ZINC000929914482 616018969 /nfs/dbraw/zinc/01/89/69/616018969.db2.gz BJIINFTVYJGNFS-CQSZACIVSA-N 0 3 294.399 0.647 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cccc(OC)c2O)C1 ZINC000843435527 616424238 /nfs/dbraw/zinc/42/42/38/616424238.db2.gz VNXBUSYBTWVGHF-VXGBXAGGSA-N 0 3 295.335 0.757 20 10 CCCDHN COC(=O)CC[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000832658903 616576594 /nfs/dbraw/zinc/57/65/94/616576594.db2.gz GWDAOZSMQLHSCX-LBPRGKRZSA-N 0 3 279.340 0.208 20 10 CCCDHN COCC[C@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000883111972 616668522 /nfs/dbraw/zinc/66/85/22/616668522.db2.gz VGGRTGGWNWPLGD-SNVBAGLBSA-N 0 3 255.314 0.888 20 10 CCCDHN COC[C@H]1C[C@@H](O)CN1Cc1cc(OC)c(OC)cc1O ZINC000846052138 616813938 /nfs/dbraw/zinc/81/39/38/616813938.db2.gz BEJFJXQCDDNMHM-VXGBXAGGSA-N 0 3 297.351 0.991 20 10 CCCDHN COCC[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000052809039 623065100 /nfs/dbraw/zinc/06/51/00/623065100.db2.gz YMAACEJPPYTTBA-NSHDSACASA-N 0 3 252.314 0.714 20 10 CCCDHN COc1ccc(CN(C)[C@]2(CO)CCOC2)c(O)c1OC ZINC000895539273 632097007 /nfs/dbraw/zinc/09/70/07/632097007.db2.gz WLQDRRITMVWNKR-HNNXBMFYSA-N 0 3 297.351 0.993 20 10 CCCDHN CS(=O)(=O)NC1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000800891277 640624927 /nfs/dbraw/zinc/62/49/27/640624927.db2.gz IRPAHSFKYIBYOM-UHFFFAOYSA-N 0 3 270.354 0.562 20 10 CCCDHN OCC1(CO)CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000827482705 642009693 /nfs/dbraw/zinc/00/96/93/642009693.db2.gz ZJDOYBZBNYJXMY-UHFFFAOYSA-N 0 3 281.308 0.298 20 10 CCCDHN O[C@@H]1COC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000865666835 645396405 /nfs/dbraw/zinc/39/64/05/645396405.db2.gz OVMIJEXZEVJWNF-DZGCQCFKSA-N 0 3 296.342 0.512 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000877658626 646832883 /nfs/dbraw/zinc/83/28/83/646832883.db2.gz VFPZOHXQMZMOJM-GFCCVEGCSA-N 0 3 250.342 0.857 20 10 CCCDHN COc1cc(CN2CC[C@](C)(CO)[C@H](O)C2)c(O)cc1O ZINC001231634238 805821845 /nfs/dbraw/zinc/82/18/45/805821845.db2.gz JRJWWWLLMTUJHW-HUUCEWRRSA-N 0 3 297.351 0.672 20 10 CCCDHN CN(C)c1ccc(CN2CCN(CCCO)CC2)c(O)c1 ZINC001232836026 805985938 /nfs/dbraw/zinc/98/59/38/805985938.db2.gz KDQGEQYLRFFKOI-UHFFFAOYSA-N 0 3 293.411 0.958 20 10 CCCDHN O=C1NCC[C@@]12CCCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014403 806006599 /nfs/dbraw/zinc/00/65/99/806006599.db2.gz SWYVPLMKIAZKHS-OAHLLOKOSA-N 0 3 292.335 0.906 20 10 CCCDHN COc1cc(O)c(CN2CC[C@H](O)[C@@H](CO)C2)cc1OC ZINC001236748969 806607985 /nfs/dbraw/zinc/60/79/85/806607985.db2.gz DFGIBISGDVULEU-NEPJUHHUSA-N 0 3 297.351 0.585 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237049487 806634527 /nfs/dbraw/zinc/63/45/27/806634527.db2.gz GVNMQZULJNVPNI-JSGCOSHPSA-N 0 3 281.352 0.966 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237049487 806634531 /nfs/dbraw/zinc/63/45/31/806634531.db2.gz GVNMQZULJNVPNI-JSGCOSHPSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1cc(O)c(CN2CC[C@H](O)[C@@H](CO)C2)c(OC)c1 ZINC001141031896 799973832 /nfs/dbraw/zinc/97/38/32/799973832.db2.gz NMHTVKWUUUXTBL-MFKMUULPSA-N 0 3 297.351 0.585 20 10 CCCDHN CN1CCOc2cc(CN3C[C@@H](F)[C@@H](N)C3)ccc21 ZINC001204830168 803103285 /nfs/dbraw/zinc/10/32/85/803103285.db2.gz MLVXBKOOYAMPQX-NEPJUHHUSA-N 0 3 265.332 0.996 20 10 CCCDHN [NH3+][C@@H]1CCN(Cc2c([O-])cccc2Cl)C[C@H]1O ZINC001205958718 803192025 /nfs/dbraw/zinc/19/20/25/803192025.db2.gz FABMFPNIJCDCHL-ZYHUDNBSSA-N 0 3 256.733 0.940 20 10 CCCDHN C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001219656921 804395713 /nfs/dbraw/zinc/39/57/13/804395713.db2.gz FHGOFYNZTHGZMB-BDAKNGLRSA-N 0 3 280.324 0.779 20 10 CCCDHN COc1cc(C)c(C[N@H+](CCO)CCCO)c([O-])c1 ZINC001204867154 815043520 /nfs/dbraw/zinc/04/35/20/815043520.db2.gz TXUYQESFFZBOBA-UHFFFAOYSA-N 0 3 269.341 0.886 20 10 CCCDHN COc1cc(C)c(C[N@@H+](CCO)CCCO)c([O-])c1 ZINC001204867154 815043528 /nfs/dbraw/zinc/04/35/28/815043528.db2.gz TXUYQESFFZBOBA-UHFFFAOYSA-N 0 3 269.341 0.886 20 10 CCCDHN COC(=O)[C@H](O)CNCc1ccc(OC)c(C)c1 ZINC001252443489 807860160 /nfs/dbraw/zinc/86/01/60/807860160.db2.gz FAVWDVBJAQUJSU-LLVKDONJSA-N 0 3 253.298 0.627 20 10 CCCDHN CS(=O)(=O)NC1CCN(Cc2ccccc2O)CC1 ZINC000703119075 819226550 /nfs/dbraw/zinc/22/65/50/819226550.db2.gz QTUARJDHFVJCJQ-UHFFFAOYSA-N 0 3 284.381 0.906 20 10 CCCDHN Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cccc(O)c1[O-] ZINC001148220073 840767238 /nfs/dbraw/zinc/76/72/38/840767238.db2.gz OMXNXVODOLNBAB-UHFFFAOYSA-N 0 3 274.280 0.229 20 10 CCCDHN [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001342614203 923027378 /nfs/dbraw/zinc/02/73/78/923027378.db2.gz SRSCHZQGDSPFTL-PRHODGIISA-N 0 3 268.288 0.511 20 10 CCCDHN CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2c([O-])cccc2F)C1 ZINC001358168134 926649625 /nfs/dbraw/zinc/64/96/25/926649625.db2.gz OIHUJWDKYKXSGN-YMTOWFKASA-N 0 3 282.315 0.915 20 10 CCCDHN CCN(C)C(=O)CNCc1cc2c(cc1O)OCO2 ZINC000185176268 351437283 /nfs/dbraw/zinc/43/72/83/351437283.db2.gz QCWPGFMIBAGZDI-UHFFFAOYSA-N 0 3 266.297 0.689 20 10 CCCDHN CCN1CCN(c2ccc(CNC(=O)CN)cc2F)CC1 ZINC000269292974 352830917 /nfs/dbraw/zinc/83/09/17/352830917.db2.gz MDEDDLSMGFLIOU-UHFFFAOYSA-N 0 3 294.374 0.543 20 10 CCCDHN COC(=O)c1cn(CC[NH2+]Cc2ccccc2[O-])nn1 ZINC000283957636 353539592 /nfs/dbraw/zinc/53/95/92/353539592.db2.gz KMCRKUHFAPXTPT-UHFFFAOYSA-N 0 3 276.296 0.560 20 10 CCCDHN COc1cccc(CN2CCOC[C@H](O)C2)c1O ZINC000294774303 199176762 /nfs/dbraw/zinc/17/67/62/199176762.db2.gz KNBNQZDDGBJTLT-LLVKDONJSA-N 0 3 253.298 0.594 20 10 CCCDHN O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)N1 ZINC000193467397 389070679 /nfs/dbraw/zinc/07/06/79/389070679.db2.gz IWPKRWDVWUIUDN-AWEZNQCLSA-N 0 3 293.298 0.705 20 10 CCCDHN O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)N1 ZINC000193467397 389070681 /nfs/dbraw/zinc/07/06/81/389070681.db2.gz IWPKRWDVWUIUDN-AWEZNQCLSA-N 0 3 293.298 0.705 20 10 CCCDHN C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126272475 389168893 /nfs/dbraw/zinc/16/88/93/389168893.db2.gz TVYGDUBCMQGYPA-VIFPVBQESA-N 0 3 250.298 0.779 20 10 CCCDHN C[N@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126272475 389168895 /nfs/dbraw/zinc/16/88/95/389168895.db2.gz TVYGDUBCMQGYPA-VIFPVBQESA-N 0 3 250.298 0.779 20 10 CCCDHN Cc1ccc(O)c(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000366785054 389310194 /nfs/dbraw/zinc/31/01/94/389310194.db2.gz UYVDDDJUDCDLJU-JSGCOSHPSA-N 0 3 276.336 0.790 20 10 CCCDHN COc1cc(O)c(CN2CC[C@H](O)C2)cc1OC ZINC000179713325 389662265 /nfs/dbraw/zinc/66/22/65/389662265.db2.gz WHYQRBYORVZIGP-JTQLQIEISA-N 0 3 253.298 0.976 20 10 CCCDHN CN(CC(=O)N1CCNCC1)Cc1cc(Cl)ccc1O ZINC000038030936 174022809 /nfs/dbraw/zinc/02/28/09/174022809.db2.gz UOCXDZNIESSMDQ-UHFFFAOYSA-N 0 3 297.786 0.909 20 10 CCCDHN Nc1ccc(CCNC(=O)[C@@]2(F)CCNC2)cc1 ZINC000376694230 268009108 /nfs/dbraw/zinc/00/91/08/268009108.db2.gz GRRFKSPVDRFJSS-CYBMUJFWSA-N 0 3 251.305 0.629 20 10 CCCDHN CCS(=O)(=O)CCNCc1cc2c(cc1O)OCO2 ZINC000219458813 333150330 /nfs/dbraw/zinc/15/03/30/333150330.db2.gz HFDSEECQTABDPS-UHFFFAOYSA-N 0 3 287.337 0.645 20 10 CCCDHN OC[C@H]1[C@@H]2CN(Cc3cc4c(cc3O)OCO4)C[C@H]12 ZINC000367841720 527623922 /nfs/dbraw/zinc/62/39/22/527623922.db2.gz VMLNNISWEBCWSJ-URLYPYJESA-N 0 3 263.293 0.791 20 10 CCCDHN [O-]c1cc2c(cc1C[N@H+]1C[C@H]3[C@H](CO)[C@H]3C1)OCO2 ZINC000367841720 527623928 /nfs/dbraw/zinc/62/39/28/527623928.db2.gz VMLNNISWEBCWSJ-URLYPYJESA-N 0 3 263.293 0.791 20 10 CCCDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@H]3[C@H](CO)[C@H]3C1)OCO2 ZINC000367841720 527623933 /nfs/dbraw/zinc/62/39/33/527623933.db2.gz VMLNNISWEBCWSJ-URLYPYJESA-N 0 3 263.293 0.791 20 10 CCCDHN CN(C)CCOCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779543757 581189749 /nfs/dbraw/zinc/18/97/49/581189749.db2.gz DPMXRAHFJCKFAN-XQRVVYSFSA-N 0 3 294.351 0.805 20 10 CCCDHN COC(=O)[C@](C)(O)C[N@H+](C)Cc1ccccc1[O-] ZINC000788020730 581370378 /nfs/dbraw/zinc/37/03/78/581370378.db2.gz SRFTXQWMQYZXBZ-CYBMUJFWSA-N 0 3 253.298 0.748 20 10 CCCDHN COC(=O)[C@](C)(O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000788020730 581370379 /nfs/dbraw/zinc/37/03/79/581370379.db2.gz SRFTXQWMQYZXBZ-CYBMUJFWSA-N 0 3 253.298 0.748 20 10 CCCDHN Cc1ccc(O)c(CN2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000785984485 581597733 /nfs/dbraw/zinc/59/77/33/581597733.db2.gz GHCLLOKNTCDXQR-NSHDSACASA-N 0 3 270.354 0.563 20 10 CCCDHN CN1CCN(C(=O)C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000749922433 582027069 /nfs/dbraw/zinc/02/70/69/582027069.db2.gz BVKZTVAMODBLCV-UHFFFAOYSA-N 0 3 297.786 0.909 20 10 CCCDHN COc1cc(C)cc(CNCC(=O)N2CCOCC2)c1O ZINC000894374291 617175762 /nfs/dbraw/zinc/17/57/62/617175762.db2.gz HYOPQLJRPYRYIU-UHFFFAOYSA-N 0 3 294.351 0.658 20 10 CCCDHN COc1ccc(CN[C@H](C)C(=O)N(C)OC)c(O)c1OC ZINC000895667595 617260247 /nfs/dbraw/zinc/26/02/47/617260247.db2.gz RFRIYNVYONDSCU-SECBINFHSA-N 0 3 298.339 0.907 20 10 CCCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)N)C2)cc1 ZINC000851640152 617267946 /nfs/dbraw/zinc/26/79/46/617267946.db2.gz RHODNJLUFIXFIL-WDEREUQCSA-N 0 3 263.341 0.737 20 10 CCCDHN COc1cccc(CN2CCOC3(CNC3)C2)c1O ZINC000853248392 617297531 /nfs/dbraw/zinc/29/75/31/617297531.db2.gz FQLRAXRQWBYXBL-UHFFFAOYSA-N 0 3 264.325 0.575 20 10 CCCDHN CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000869779253 614191278 /nfs/dbraw/zinc/19/12/78/614191278.db2.gz WEKNINVUANNHSQ-JTQLQIEISA-N 0 3 294.351 0.673 20 10 CCCDHN CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000869779253 614191279 /nfs/dbraw/zinc/19/12/79/614191279.db2.gz WEKNINVUANNHSQ-JTQLQIEISA-N 0 3 294.351 0.673 20 10 CCCDHN CCN(OC)C(=O)CNCc1cc2c(cc1O)OCO2 ZINC000842769228 615076154 /nfs/dbraw/zinc/07/61/54/615076154.db2.gz KIQHYUSEJOHIEL-UHFFFAOYSA-N 0 3 282.296 0.620 20 10 CCCDHN CC[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccccc1[O-] ZINC000927022239 615818808 /nfs/dbraw/zinc/81/88/08/615818808.db2.gz DWYFOKTXSIJLED-JQWIXIFHSA-N 0 3 287.381 0.838 20 10 CCCDHN CN1C[C@H](O)C[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000924990483 616480272 /nfs/dbraw/zinc/48/02/72/616480272.db2.gz VXWKHQXUUANTAH-UHOOHFNOSA-N 0 3 292.335 0.292 20 10 CCCDHN COCC[C@@H](N)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000884309878 616637815 /nfs/dbraw/zinc/63/78/15/616637815.db2.gz IAEJWSAEBIMWPT-JOYOIKCWSA-N 0 3 282.340 0.942 20 10 CCCDHN C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccccc1[O-] ZINC000045066875 636878530 /nfs/dbraw/zinc/87/85/30/636878530.db2.gz PZYQBJCXELHQDC-SECBINFHSA-N 0 3 258.343 0.721 20 10 CCCDHN Cc1ccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(O)c1O ZINC000848306336 643619216 /nfs/dbraw/zinc/61/92/16/643619216.db2.gz PHBVAKPMFHPASN-WDEREUQCSA-N 0 3 292.335 0.297 20 10 CCCDHN O=C(c1cccc(O)c1O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861715885 644915406 /nfs/dbraw/zinc/91/54/06/644915406.db2.gz RAUCNGAOIPEVKQ-GHMZBOCLSA-N 0 3 292.335 0.379 20 10 CCCDHN O=C(/C=C\c1ccc(O)c(O)c1)NCCN1CC[C@H](O)C1 ZINC000863832860 645132654 /nfs/dbraw/zinc/13/26/54/645132654.db2.gz HDQQBBRFZJLLJD-QQHVMHFCSA-N 0 3 292.335 0.294 20 10 CCCDHN Cc1cccc(O)c1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000876750925 646657474 /nfs/dbraw/zinc/65/74/74/646657474.db2.gz KQVZVRNPGHNHSG-LLVKDONJSA-N 0 3 284.381 0.824 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000877504020 646820524 /nfs/dbraw/zinc/82/05/24/646820524.db2.gz ZLZJVQAVQUCTHH-UHFFFAOYSA-N 0 3 284.381 0.870 20 10 CCCDHN Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c([O-])c1 ZINC000877763879 646840046 /nfs/dbraw/zinc/84/00/46/646840046.db2.gz MPWYABFIDSKHSL-BETUJISGSA-N 0 3 251.326 0.733 20 10 CCCDHN Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c([O-])c1 ZINC000877763879 646840049 /nfs/dbraw/zinc/84/00/49/646840049.db2.gz MPWYABFIDSKHSL-BETUJISGSA-N 0 3 251.326 0.733 20 10 CCCDHN C[C@H]([NH2+]CCN(C)CCOCCO)c1ccccc1[O-] ZINC000883350656 647515344 /nfs/dbraw/zinc/51/53/44/647515344.db2.gz LWABPSYDLGXAKF-ZDUSSCGKSA-N 0 3 282.384 0.984 20 10 CCCDHN COc1cc(CN2CC3(C2)CCN(C)C3=O)c(O)cc1O ZINC001231637506 805825223 /nfs/dbraw/zinc/82/52/23/805825223.db2.gz HRMKIRWKMLRYOW-UHFFFAOYSA-N 0 3 292.335 0.771 20 10 CCCDHN COc1cc(N(C)C)ccc1CN1C[C@H](CO)[C@H](O)C1 ZINC001231849723 805862033 /nfs/dbraw/zinc/86/20/33/805862033.db2.gz XJDOGONFORBAID-TZMCWYRMSA-N 0 3 280.368 0.546 20 10 CCCDHN CN(CCN1CCN(C)CC1)Cc1cc(O)c(O)c(O)c1 ZINC001233017747 806009629 /nfs/dbraw/zinc/00/96/29/806009629.db2.gz ZYHWUQWUXZOXEX-UHFFFAOYSA-N 0 3 295.383 0.483 20 10 CCCDHN CCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236783296 806608709 /nfs/dbraw/zinc/60/87/09/806608709.db2.gz JUSNSYDNNVXZCN-GXTWGEPZSA-N 0 3 251.326 0.740 20 10 CCCDHN CCc1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236783296 806608715 /nfs/dbraw/zinc/60/87/15/806608715.db2.gz JUSNSYDNNVXZCN-GXTWGEPZSA-N 0 3 251.326 0.740 20 10 CCCDHN C[C@@]1(CO)CN(Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141155892 799984508 /nfs/dbraw/zinc/98/45/08/799984508.db2.gz AFOIXXRTTRKKDF-KBPBESRZSA-N 0 3 267.325 0.663 20 10 CCCDHN O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158225659 801598400 /nfs/dbraw/zinc/59/84/00/801598400.db2.gz KUZDMSQNDIYZFM-DTWKUNHWSA-N 0 3 264.281 0.380 20 10 CCCDHN CN(C)C[C@H]1CN(Cc2ccc(O)c(O)c2)CCO1 ZINC001203875323 803050115 /nfs/dbraw/zinc/05/01/15/803050115.db2.gz LKXRSSAJPZEMCL-LBPRGKRZSA-N 0 3 266.341 0.860 20 10 CCCDHN NC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204272217 803075379 /nfs/dbraw/zinc/07/53/79/803075379.db2.gz KCPFATZQRTZJDB-JTQLQIEISA-N 0 3 250.298 0.795 20 10 CCCDHN NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204272217 803075385 /nfs/dbraw/zinc/07/53/85/803075385.db2.gz KCPFATZQRTZJDB-JTQLQIEISA-N 0 3 250.298 0.795 20 10 CCCDHN OCCCN1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204276333 803076953 /nfs/dbraw/zinc/07/69/53/803076953.db2.gz KOWYDRVPZOKOPI-UHFFFAOYSA-N 0 3 266.341 0.598 20 10 CCCDHN CN1CCOC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000700154952 818728875 /nfs/dbraw/zinc/72/88/75/818728875.db2.gz FSKDXWLLPMXBQF-GFCCVEGCSA-N 0 3 254.305 0.952 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001203620450 844435689 /nfs/dbraw/zinc/43/56/89/844435689.db2.gz FXSYQTRYXIMYHQ-DGCLKSJQSA-N 0 3 267.325 0.576 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001203620450 844435696 /nfs/dbraw/zinc/43/56/96/844435696.db2.gz FXSYQTRYXIMYHQ-DGCLKSJQSA-N 0 3 267.325 0.576 20 10 CCCDHN N=c1cc(C[NH3+])ccn1C(=O)c1cccc(O)c1[O-] ZINC001148220206 840767438 /nfs/dbraw/zinc/76/74/38/840767438.db2.gz YEBDJBRYAGZZGY-UHFFFAOYSA-N 0 3 259.265 0.526 20 10 CCCDHN CC[NH+](CC)CCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148580027 840848574 /nfs/dbraw/zinc/84/85/74/840848574.db2.gz DKSZVRRZZFRLIM-UHFFFAOYSA-N 0 3 268.313 0.875 20 10 CCCDHN O=C1COC[C@]2(C[NH2+]Cc3ccccc3[O-])COCCN12 ZINC000865801268 848040695 /nfs/dbraw/zinc/04/06/95/848040695.db2.gz UANCTINLYUFQAL-HNNXBMFYSA-N 0 3 292.335 0.110 20 10 CCCDHN NC(=O)COC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001319903586 910345269 /nfs/dbraw/zinc/34/52/69/910345269.db2.gz HICCCSAUUCRCTE-UHFFFAOYSA-N 0 3 264.325 0.859 20 10 CCCDHN Nc1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC001335677606 920364165 /nfs/dbraw/zinc/36/41/65/920364165.db2.gz JOBOMCGSTHVCBQ-GFCCVEGCSA-N 0 3 264.329 0.056 20 10 CCCDHN [NH3+]C[C@@]1(C(=O)NCc2c([O-])cccc2F)CCCOC1 ZINC001358168623 926649863 /nfs/dbraw/zinc/64/98/63/926649863.db2.gz WKKJOCXIHLFXLC-AWEZNQCLSA-N 0 3 282.315 0.903 20 10 CCCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1C ZINC000187664806 351550381 /nfs/dbraw/zinc/55/03/81/351550381.db2.gz GYMYQOJXYZWGIR-STQMWFEESA-N 0 3 251.326 0.937 20 10 CCCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1C ZINC000187664806 351550386 /nfs/dbraw/zinc/55/03/86/351550386.db2.gz GYMYQOJXYZWGIR-STQMWFEESA-N 0 3 251.326 0.937 20 10 CCCDHN O=C1NC(=O)C2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)N1 ZINC000273782309 353113324 /nfs/dbraw/zinc/11/33/24/353113324.db2.gz TUMKYUYLKPWOCN-UHFFFAOYSA-N 0 3 293.298 0.705 20 10 CCCDHN CN(Cc1ccccc1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292686159 388954237 /nfs/dbraw/zinc/95/42/37/388954237.db2.gz AZPXVNQEDJQXMU-LBPRGKRZSA-N 0 3 284.381 0.858 20 10 CCCDHN COc1cc(O)c(CN(CCO)CCCO)cc1OC ZINC000271710380 286239005 /nfs/dbraw/zinc/23/90/05/286239005.db2.gz GOPRZJMJYDGKSV-UHFFFAOYSA-N 0 3 285.340 0.586 20 10 CCCDHN OC[C@@]1(NCc2cc3c(cc2O)OCO3)CCOC1 ZINC000273531023 327919527 /nfs/dbraw/zinc/91/95/27/327919527.db2.gz VDEQRYZOECBNSA-ZDUSSCGKSA-N 0 3 267.281 0.362 20 10 CCCDHN C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227980046 333292115 /nfs/dbraw/zinc/29/21/15/333292115.db2.gz DXXWPQYVFDUJOI-LKFCYVNXSA-N 0 3 281.308 0.750 20 10 CCCDHN Cc1cc(O)c(CN2CC[C@@H](S(N)(=O)=O)C2)cc1C ZINC000785985047 581426449 /nfs/dbraw/zinc/42/64/49/581426449.db2.gz KFDWVTCZNLNCKW-GFCCVEGCSA-N 0 3 284.381 0.872 20 10 CCCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC(N)=O)c1 ZINC000775370754 582021206 /nfs/dbraw/zinc/02/12/06/582021206.db2.gz QHDQKNGNDLFSJL-HTQZYQBOSA-N 0 3 281.312 0.635 20 10 CCCDHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000775369133 582021275 /nfs/dbraw/zinc/02/12/75/582021275.db2.gz KNQUGLQLNDBOLS-RKDXNWHRSA-N 0 3 295.339 0.896 20 10 CCCDHN COc1cccc(O)c1CN(C)CCOCCO ZINC000800545569 617305012 /nfs/dbraw/zinc/30/50/12/617305012.db2.gz BFOGSGLDTQKADV-UHFFFAOYSA-N 0 3 255.314 0.842 20 10 CCCDHN COc1cccc([C@@H](C)N[C@H]2CCNC2=O)c1O ZINC000850482537 617307450 /nfs/dbraw/zinc/30/74/50/617307450.db2.gz TVSYMMUKNQAJOF-SCZZXKLOSA-N 0 3 250.298 0.940 20 10 CCCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1COCCO1 ZINC000853557845 616165099 /nfs/dbraw/zinc/16/50/99/616165099.db2.gz OXJIJIDZACRBKR-RISCZKNCSA-N 0 3 295.335 0.665 20 10 CCCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1COCCO1 ZINC000853557845 616165101 /nfs/dbraw/zinc/16/51/01/616165101.db2.gz OXJIJIDZACRBKR-RISCZKNCSA-N 0 3 295.335 0.665 20 10 CCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000929975014 616170995 /nfs/dbraw/zinc/17/09/95/616170995.db2.gz CRSIHKQLDZPVSE-CQSZACIVSA-N 0 3 281.352 0.726 20 10 CCCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000929975014 616170997 /nfs/dbraw/zinc/17/09/97/616170997.db2.gz CRSIHKQLDZPVSE-CQSZACIVSA-N 0 3 281.352 0.726 20 10 CCCDHN COC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650899 616756661 /nfs/dbraw/zinc/75/66/61/616756661.db2.gz VZDQZLYIZUSVAB-TVQRCGJNSA-N 0 3 253.298 0.967 20 10 CCCDHN CO[C@@H]1COC[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000842751913 616828622 /nfs/dbraw/zinc/82/86/22/616828622.db2.gz CEWOXMAQTBKPGL-NOZJJQNGSA-N 0 3 267.281 0.624 20 10 CCCDHN CNS(=O)(=O)CCNCc1cc(C)cc(OC)c1O ZINC000894531938 617021291 /nfs/dbraw/zinc/02/12/91/617021291.db2.gz CHAHHPIZOMXOEW-UHFFFAOYSA-N 0 3 288.369 0.348 20 10 CCCDHN COc1cccc(CN(C)CCNC(C)=O)c1O ZINC000308250407 624863033 /nfs/dbraw/zinc/86/30/33/624863033.db2.gz AURRCCSTNNMKSC-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN OC[C@@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000839160251 640306628 /nfs/dbraw/zinc/30/66/28/640306628.db2.gz SBKVSDPYJBSKAH-CQSZACIVSA-N 0 3 281.308 0.440 20 10 CCCDHN C[C@@H](O)[C@@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000842222049 642883020 /nfs/dbraw/zinc/88/30/20/642883020.db2.gz XOJQCVRRXGTBMS-BXKDBHETSA-N 0 3 256.321 0.723 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000877440055 646815037 /nfs/dbraw/zinc/81/50/37/646815037.db2.gz YYFRXNKHHJSPAE-UHFFFAOYSA-N 0 3 284.381 0.682 20 10 CCCDHN COc1cc(CN2C[C@@H](OC)[C@@H](OC)C2)c(O)cc1O ZINC001231633848 805822184 /nfs/dbraw/zinc/82/21/84/805822184.db2.gz AJRLIWTXPPSUPK-OKILXGFUSA-N 0 3 283.324 0.952 20 10 CCCDHN [O-]c1cc(O)c(CN2CCN[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235059562 806361624 /nfs/dbraw/zinc/36/16/24/806361624.db2.gz DHDZUTYFKCZIPD-CQSZACIVSA-N 0 3 297.786 0.889 20 10 CCCDHN COc1cc(O)c(CN2CC[C@H](CO)[C@H](O)C2)cc1OC ZINC001236750731 806606818 /nfs/dbraw/zinc/60/68/18/806606818.db2.gz XZMHRGWQLPUUHS-ZWNOBZJWSA-N 0 3 297.351 0.585 20 10 CCCDHN COc1cc(CN(C)C[C@@H](O)CO)c(O)c(OC)c1 ZINC001237672735 806708661 /nfs/dbraw/zinc/70/86/61/806708661.db2.gz IOSZRFDGVGMRMF-SNVBAGLBSA-N 0 3 271.313 0.194 20 10 CCCDHN COc1cc(CN2C[C@H](O)[C@@H](CO)C2)c(O)c(OC)c1 ZINC001237668313 806708832 /nfs/dbraw/zinc/70/88/32/806708832.db2.gz BZXAHCRLOXPFMV-PWSUYJOCSA-N 0 3 283.324 0.194 20 10 CCCDHN NCCS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC001238367833 806779177 /nfs/dbraw/zinc/77/91/77/806779177.db2.gz DDWIYQQDGISJDR-UHFFFAOYSA-N 0 3 283.397 0.665 20 10 CCCDHN COc1cccc(CN2CCOC[C@](C)(O)C2)c1O ZINC001203589753 803035200 /nfs/dbraw/zinc/03/52/00/803035200.db2.gz NGDTXMUHJCUZMI-CQSZACIVSA-N 0 3 267.325 0.984 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001203621539 803038074 /nfs/dbraw/zinc/03/80/74/803038074.db2.gz WZOJPKCVEKDGOP-CABCVRRESA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c([O-])c1 ZINC001203621539 803038081 /nfs/dbraw/zinc/03/80/81/803038081.db2.gz WZOJPKCVEKDGOP-CABCVRRESA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001203621568 803039132 /nfs/dbraw/zinc/03/91/32/803039132.db2.gz XLTRVBQNPXOROP-GXFFZTMASA-N 0 3 253.298 0.186 20 10 CCCDHN COc1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001203621568 803039138 /nfs/dbraw/zinc/03/91/38/803039138.db2.gz XLTRVBQNPXOROP-GXFFZTMASA-N 0 3 253.298 0.186 20 10 CCCDHN COCCN1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204273596 803075311 /nfs/dbraw/zinc/07/53/11/803075311.db2.gz RYQFLZFMKXGIER-UHFFFAOYSA-N 0 3 266.341 0.862 20 10 CCCDHN C[C@H](NCc1cc2c(cc1O)OCO2)C(=O)N(C)C ZINC000042879800 348299839 /nfs/dbraw/zinc/29/98/39/348299839.db2.gz WQWHWTUMGQEKTB-QMMMGPOBSA-N 0 3 266.297 0.687 20 10 CCCDHN CNS(=O)(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000188547083 351605833 /nfs/dbraw/zinc/60/58/33/351605833.db2.gz AZGSNVYQFSFYIO-UHFFFAOYSA-N 0 3 262.306 0.170 20 10 CCCDHN COC[C@@H](O)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224933532 351999373 /nfs/dbraw/zinc/99/93/73/351999373.db2.gz JMSDFUCULIBWKP-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN COc1cc(O)c(CN[C@@H]2CC(=O)N(C)C2)cc1OC ZINC000271911453 353034666 /nfs/dbraw/zinc/03/46/66/353034666.db2.gz XZSBWSSBIYMOHT-SNVBAGLBSA-N 0 3 280.324 0.730 20 10 CCCDHN CNS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296305847 353940722 /nfs/dbraw/zinc/94/07/22/353940722.db2.gz DVDWLYPFFYJMRN-SNVBAGLBSA-N 0 3 270.354 0.518 20 10 CCCDHN COc1cccc(CN(CCO)CCCO)c1O ZINC000093324064 260515566 /nfs/dbraw/zinc/51/55/66/260515566.db2.gz RIYMMDZCWSBUQS-UHFFFAOYSA-N 0 3 255.314 0.578 20 10 CCCDHN CN(Cc1ccccc1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292686153 388954209 /nfs/dbraw/zinc/95/42/09/388954209.db2.gz AZPXVNQEDJQXMU-GFCCVEGCSA-N 0 3 284.381 0.858 20 10 CCCDHN Cc1cccc(CN[C@@H]2CCS(=O)(=O)C2)c1O ZINC000083410849 389002923 /nfs/dbraw/zinc/00/29/23/389002923.db2.gz LUPQNISXRDJZEM-LLVKDONJSA-N 0 3 255.339 0.977 20 10 CCCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](O)CN1CCOCC1 ZINC000180184714 389667114 /nfs/dbraw/zinc/66/71/14/389667114.db2.gz JAQJRJXXBSHYGN-AWEZNQCLSA-N 0 3 298.358 0.656 20 10 CCCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H](O)CN1CCOCC1 ZINC000180184714 389667115 /nfs/dbraw/zinc/66/71/15/389667115.db2.gz JAQJRJXXBSHYGN-AWEZNQCLSA-N 0 3 298.358 0.656 20 10 CCCDHN COc1cc([O-])c(C[NH2+]C[C@]2(O)CCOC2)cc1OC ZINC000271805754 328197291 /nfs/dbraw/zinc/19/72/91/328197291.db2.gz JSTDXETZDIIWTR-CQSZACIVSA-N 0 3 283.324 0.650 20 10 CCCDHN CN(Cc1ccccc1O)C(=O)C[C@@H]1CNCCO1 ZINC000091301326 327102080 /nfs/dbraw/zinc/10/20/80/327102080.db2.gz CNRGPJQFTAIMEU-GFCCVEGCSA-N 0 3 264.325 0.729 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1)OCO2 ZINC000280243146 527579408 /nfs/dbraw/zinc/57/94/08/527579408.db2.gz IGYFSNOWBVVGQV-CMPLNLGQSA-N 0 3 295.335 0.856 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1COCCO1 ZINC000725846891 581150128 /nfs/dbraw/zinc/15/01/28/581150128.db2.gz QMZSYBSFXWDRGW-SNVBAGLBSA-N 0 3 253.298 0.906 20 10 CCCDHN CN(C)CCOCCNC(=O)NCc1ccccc1O ZINC000788018804 581361937 /nfs/dbraw/zinc/36/19/37/581361937.db2.gz SNGQTWKTRUBVAR-UHFFFAOYSA-N 0 3 281.356 0.770 20 10 CCCDHN COc1cccc(O)c1CN(CCO)CCCO ZINC000769387845 581686140 /nfs/dbraw/zinc/68/61/40/581686140.db2.gz BXNNTBWRNYHWHL-UHFFFAOYSA-N 0 3 255.314 0.578 20 10 CCCDHN CCNC(=O)CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000771823802 581826176 /nfs/dbraw/zinc/82/61/76/581826176.db2.gz SMHNFOIGMPQSKD-UHFFFAOYSA-N 0 3 290.411 0.664 20 10 CCCDHN COc1ccc(CN2C[C@H](O)C[C@H]2CO)c(O)c1OC ZINC000893683031 617252049 /nfs/dbraw/zinc/25/20/49/617252049.db2.gz WQYZOSDXMVOOFS-WDEREUQCSA-N 0 3 283.324 0.337 20 10 CCCDHN COc1ccc(CN[C@H]2COC[C@H]2OC)c(O)c1OC ZINC000894867720 617260307 /nfs/dbraw/zinc/26/03/07/617260307.db2.gz XLYSENNVDIZHLB-CMPLNLGQSA-N 0 3 283.324 0.913 20 10 CCCDHN COc1cccc(O)c1CN1CCN(CCO)[C@H](C)C1 ZINC000779214829 617305397 /nfs/dbraw/zinc/30/53/97/617305397.db2.gz UZIMQKKTYVVYPP-GFCCVEGCSA-N 0 3 280.368 0.899 20 10 CCCDHN CN1CC(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853553389 616164931 /nfs/dbraw/zinc/16/49/31/616164931.db2.gz NVZLWKFWVPSFJI-CQSZACIVSA-N 0 3 278.352 0.811 20 10 CCCDHN CN1CC(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853553389 616164932 /nfs/dbraw/zinc/16/49/32/616164932.db2.gz NVZLWKFWVPSFJI-CQSZACIVSA-N 0 3 278.352 0.811 20 10 CCCDHN COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000826967548 616498316 /nfs/dbraw/zinc/49/83/16/616498316.db2.gz WMQBGGHEKFQVBK-CMPLNLGQSA-N 0 3 251.282 0.812 20 10 CCCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000877680035 616582964 /nfs/dbraw/zinc/58/29/64/616582964.db2.gz SFNAXISVIIHLDR-IUCAKERBSA-N 0 3 298.314 0.687 20 10 CCCDHN COCCN(CCO)Cc1ccc(OC)c(OC)c1O ZINC000891912803 617018222 /nfs/dbraw/zinc/01/82/22/617018222.db2.gz LLIQFELSHZYMIV-UHFFFAOYSA-N 0 3 285.340 0.850 20 10 CCCDHN CNS(=O)(=O)CCN[C@H](C)c1cccc(OC)c1O ZINC000846163051 617022141 /nfs/dbraw/zinc/02/21/41/617022141.db2.gz DQOOQGHIVLJWMG-SECBINFHSA-N 0 3 288.369 0.601 20 10 CCCDHN O=S1(=O)CCC[C@H](NCc2cc3c(cc2O)OCO3)C1 ZINC000069141786 624691475 /nfs/dbraw/zinc/69/14/75/624691475.db2.gz ADPDNSJVXKKZIR-JTQLQIEISA-N 0 3 299.348 0.788 20 10 CCCDHN C[C@@H]1[C@H](NCc2cc3c(cc2O)OCO3)CCS1(=O)=O ZINC000313217039 625757017 /nfs/dbraw/zinc/75/70/17/625757017.db2.gz QHEWEOAVFDBTRG-PSASIEDQSA-N 0 3 299.348 0.786 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC(CO)(CO)C1 ZINC000827475376 642008487 /nfs/dbraw/zinc/00/84/87/642008487.db2.gz ZJDJBZDCIXMDHV-UHFFFAOYSA-N 0 3 255.289 0.708 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000827475376 642008490 /nfs/dbraw/zinc/00/84/90/642008490.db2.gz ZJDJBZDCIXMDHV-UHFFFAOYSA-N 0 3 255.289 0.708 20 10 CCCDHN Nc1ccc(CC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000853245846 644093993 /nfs/dbraw/zinc/09/39/93/644093993.db2.gz NYTOXKZKRCFWAV-UHFFFAOYSA-N 0 3 261.325 0.012 20 10 CCCDHN COc1cc(O)c(CN(CCO)CCO)cc1OC ZINC000862429161 644999670 /nfs/dbraw/zinc/99/96/70/644999670.db2.gz CEDZPGZXTDYZLX-UHFFFAOYSA-N 0 3 271.313 0.196 20 10 CCCDHN Cc1ccc(CN2CCN(CCO)CC2)c(O)c1 ZINC000876510375 646615234 /nfs/dbraw/zinc/61/52/34/646615234.db2.gz UJEQXSQHRQYLOE-UHFFFAOYSA-N 0 3 250.342 0.811 20 10 CCCDHN CN(C)c1ccc(CN2CCN(C3COC3)CC2)c(O)c1 ZINC001232834946 805986302 /nfs/dbraw/zinc/98/63/02/805986302.db2.gz RJYDWDSMQMOFDD-UHFFFAOYSA-N 0 3 291.395 0.975 20 10 CCCDHN CN(C)C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)CCO1 ZINC001233010848 806004405 /nfs/dbraw/zinc/00/44/05/806004405.db2.gz VSXIQNIHWDWSDZ-LLVKDONJSA-N 0 3 282.340 0.566 20 10 CCCDHN COc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236807647 806611980 /nfs/dbraw/zinc/61/19/80/806611980.db2.gz HLGHGPBHANVWBH-YGRLFVJLSA-N 0 3 267.325 0.494 20 10 CCCDHN COc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236807647 806611984 /nfs/dbraw/zinc/61/19/84/806611984.db2.gz HLGHGPBHANVWBH-YGRLFVJLSA-N 0 3 267.325 0.494 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237049491 806634490 /nfs/dbraw/zinc/63/44/90/806634490.db2.gz GVNMQZULJNVPNI-TZMCWYRMSA-N 0 3 281.352 0.966 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001237049491 806634494 /nfs/dbraw/zinc/63/44/94/806634494.db2.gz GVNMQZULJNVPNI-TZMCWYRMSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1cc(CN2CC(=O)C2)cc(CN(C)C)c1O ZINC001139257047 799800451 /nfs/dbraw/zinc/80/04/51/799800451.db2.gz PTQFMNGJTYYXGX-UHFFFAOYSA-N 0 3 264.325 0.847 20 10 CCCDHN COc1cc(O)c(CN2CC[C@@H](CO)[C@@H](O)C2)c(OC)c1 ZINC001141031576 799974123 /nfs/dbraw/zinc/97/41/23/799974123.db2.gz IDEUAXBPVWJLIS-HZMBPMFUSA-N 0 3 297.351 0.585 20 10 CCCDHN OC[C@@H]1CCN(Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156022 799984313 /nfs/dbraw/zinc/98/43/13/799984313.db2.gz CXYZDQPQPMVLIC-ZANVPECISA-N 0 3 253.298 0.273 20 10 CCCDHN C[C@]1(O)COCCN(Cc2cc(O)ccc2O)C1 ZINC001141156730 799985415 /nfs/dbraw/zinc/98/54/15/799985415.db2.gz SFTUDRVHHVVVKI-CYBMUJFWSA-N 0 3 253.298 0.681 20 10 CCCDHN CC(=O)N[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141161969 799987369 /nfs/dbraw/zinc/98/73/69/799987369.db2.gz IPXBCGWRXNZPSL-NSHDSACASA-N 0 3 250.298 0.808 20 10 CCCDHN Cc1cc(C)c(CNC(=O)[C@@H](N)Cc2c[nH]cn2)c(O)c1 ZINC001220825424 804673876 /nfs/dbraw/zinc/67/38/76/804673876.db2.gz GYTSMWFEHRKJOH-ZDUSSCGKSA-N 0 3 288.351 0.918 20 10 CCCDHN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CN1 ZINC001246239541 807194954 /nfs/dbraw/zinc/19/49/54/807194954.db2.gz JQCDSWVADNIQRJ-PWSUYJOCSA-N 0 3 280.324 0.481 20 10 CCCDHN CC[N@H+](CCC(N)=O)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249201242 807546536 /nfs/dbraw/zinc/54/65/36/807546536.db2.gz LSUVBNVEDWXOIX-UHFFFAOYSA-N 0 3 294.351 0.805 20 10 CCCDHN CC[N@@H+](CCC(N)=O)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249201242 807546538 /nfs/dbraw/zinc/54/65/38/807546538.db2.gz LSUVBNVEDWXOIX-UHFFFAOYSA-N 0 3 294.351 0.805 20 10 CCCDHN C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccccc1[O-] ZINC001251036294 807650817 /nfs/dbraw/zinc/65/08/17/807650817.db2.gz FGXSCYCHPGGTHY-STQMWFEESA-N 0 3 280.368 0.736 20 10 CCCDHN CN(C)c1ccc(CNC(=O)[C@@H]2CNCCN2C)cc1F ZINC001263097963 809441920 /nfs/dbraw/zinc/44/19/20/809441920.db2.gz NZYMVQPDGUKBMD-AWEZNQCLSA-N 0 3 294.374 0.412 20 10 CCCDHN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CNCCN2C)cc1 ZINC001263111260 809450877 /nfs/dbraw/zinc/45/08/77/809450877.db2.gz YANFVXPYXTUGCQ-HNNXBMFYSA-N 0 3 290.411 0.615 20 10 CCCDHN COc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c([O-])c1 ZINC001183445760 844022263 /nfs/dbraw/zinc/02/22/63/844022263.db2.gz SYUPHECXTJCEDD-TXEJJXNPSA-N 0 3 281.352 0.742 20 10 CCCDHN COc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c([O-])c1 ZINC001183445760 844022273 /nfs/dbraw/zinc/02/22/73/844022273.db2.gz SYUPHECXTJCEDD-TXEJJXNPSA-N 0 3 281.352 0.742 20 10 CCCDHN CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001169511157 836315873 /nfs/dbraw/zinc/31/58/73/836315873.db2.gz UKWYEPHEVXLROP-LLVKDONJSA-N 0 3 250.298 0.808 20 10 CCCDHN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](N2CCC2)C1 ZINC001148307587 840778240 /nfs/dbraw/zinc/77/82/40/840778240.db2.gz MITJZWNHIDVVIA-GFCCVEGCSA-N 0 3 276.336 0.947 20 10 CCCDHN CN1CCC(O)(C(=O)NCc2ccccc2O)CC1 ZINC001182033104 843682414 /nfs/dbraw/zinc/68/24/14/843682414.db2.gz JZDSTMFDVCXUMJ-UHFFFAOYSA-N 0 3 264.325 0.465 20 10 CCCDHN C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]21 ZINC000384721210 853873210 /nfs/dbraw/zinc/87/32/10/853873210.db2.gz IHEUVCZBHUOBHT-IAZYJMLFSA-N 0 3 262.309 0.730 20 10 CCCDHN COCCN1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001293588945 906495722 /nfs/dbraw/zinc/49/57/22/906495722.db2.gz BCFKZBQADZUGJN-LBPRGKRZSA-N 0 3 294.351 0.477 20 10 CCCDHN CN(CCO)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317473373 908372661 /nfs/dbraw/zinc/37/26/61/908372661.db2.gz SILPTIZDHDMXIJ-UHFFFAOYSA-N 0 3 293.327 0.503 20 10 CCCDHN COC[C@H](O)C[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001308725085 908429697 /nfs/dbraw/zinc/42/96/97/908429697.db2.gz YTQNSUQHVLBYLC-SNVBAGLBSA-N 0 3 255.314 0.806 20 10 CCCDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CNCCN2C)c1 ZINC001341827232 922690703 /nfs/dbraw/zinc/69/07/03/922690703.db2.gz VVFFIDXVBURRAP-MFKMUULPSA-N 0 3 293.367 0.482 20 10 CCCDHN COc1ccc(O)c(CN[C@@H]2CCS(=O)(=O)C2)c1 ZINC000020086656 348076936 /nfs/dbraw/zinc/07/69/36/348076936.db2.gz LDCZJTAVCMTTPL-SNVBAGLBSA-N 0 3 271.338 0.678 20 10 CCCDHN CN(C)c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000187666125 351551005 /nfs/dbraw/zinc/55/10/05/351551005.db2.gz TUFSDZYSVGJLCV-KBPBESRZSA-N 0 3 250.342 0.680 20 10 CCCDHN COc1cccc(C[NH2+]C[C@H]2CN(C)CCN2C)c1[O-] ZINC000225313573 352001085 /nfs/dbraw/zinc/00/10/85/352001085.db2.gz XYZLJLDHJUGYLC-ZDUSSCGKSA-N 0 3 279.384 0.736 20 10 CCCDHN CN(C)c1ccc(CN2CC[C@@H](NC(N)=O)C2)cc1 ZINC000271384553 353033208 /nfs/dbraw/zinc/03/32/08/353033208.db2.gz RXWXSNWKBUALQY-GFCCVEGCSA-N 0 3 262.357 0.995 20 10 CCCDHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(O)c1[O-] ZINC000296282079 353940147 /nfs/dbraw/zinc/94/01/47/353940147.db2.gz HGZGEUJFLPUVAE-LLVKDONJSA-N 0 3 294.351 0.674 20 10 CCCDHN CO[C@H](CN)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000290100071 388900809 /nfs/dbraw/zinc/90/08/09/388900809.db2.gz JXMDSATWBGFJPR-CYBMUJFWSA-N 0 3 279.340 0.452 20 10 CCCDHN COC[C@](C)(CCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000267374803 389370323 /nfs/dbraw/zinc/37/03/23/389370323.db2.gz QUPILCVIYQMBRJ-AWEZNQCLSA-N 0 3 283.324 0.998 20 10 CCCDHN CN(C)c1ccc(CNCCS(=O)(=O)N(C)C)cc1 ZINC000230993551 326972438 /nfs/dbraw/zinc/97/24/38/326972438.db2.gz NPYUDCFAIUEHFS-UHFFFAOYSA-N 0 3 285.413 0.734 20 10 CCCDHN COC[C@H](CO)NCc1cc2c(cc1O)OCO2 ZINC000234800795 522683994 /nfs/dbraw/zinc/68/39/94/522683994.db2.gz JYLJROLYMRYTGI-VIFPVBQESA-N 0 3 255.270 0.218 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]CCN1CCCOCC1)OCO2 ZINC000289416816 526337000 /nfs/dbraw/zinc/33/70/00/526337000.db2.gz INPMWPWDGISPND-UHFFFAOYSA-N 0 3 294.351 0.933 20 10 CCCDHN CN(C)CCOCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779543755 581189733 /nfs/dbraw/zinc/18/97/33/581189733.db2.gz DPMXRAHFJCKFAN-GQCTYLIASA-N 0 3 294.351 0.805 20 10 CCCDHN CN(C)c1ccc(CNC[C@](C)(O)CO)cc1F ZINC000794748750 581310560 /nfs/dbraw/zinc/31/05/60/581310560.db2.gz QQYXTLSWUAXRAF-ZDUSSCGKSA-N 0 3 256.321 0.725 20 10 CCCDHN COc1ccc(CN2CC[C@H](O)[C@@H](CO)C2)c(O)c1OC ZINC000894937874 617251281 /nfs/dbraw/zinc/25/12/81/617251281.db2.gz UHOKGDLOTYBKOI-NEPJUHHUSA-N 0 3 297.351 0.585 20 10 CCCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)[C@H](C)O)cc1 ZINC000930847691 617267178 /nfs/dbraw/zinc/26/71/78/617267178.db2.gz BPLAZKOZJLURBI-SWLSCSKDSA-N 0 3 282.384 0.805 20 10 CCCDHN COc1cccc(O)c1CN1CC(C)(C(N)=O)C1 ZINC000843416758 617304934 /nfs/dbraw/zinc/30/49/34/617304934.db2.gz WCYWGXDQGURRPE-UHFFFAOYSA-N 0 3 250.298 0.708 20 10 CCCDHN CN(C)c1ccc([C@H](CNC(=O)CO)N(C)C)cc1 ZINC000891249355 616019550 /nfs/dbraw/zinc/01/95/50/616019550.db2.gz RMJHLSUBMBFXJN-ZDUSSCGKSA-N 0 3 265.357 0.464 20 10 CCCDHN COC(=O)CCNC(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000862528339 616559940 /nfs/dbraw/zinc/55/99/40/616559940.db2.gz UTYIZXHNFXHUQV-UHFFFAOYSA-N 0 3 298.314 0.690 20 10 CCCDHN COC(=O)[C@H]1CN(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000840957362 616687240 /nfs/dbraw/zinc/68/72/40/616687240.db2.gz LIDORELOKTXBCU-ZDUSSCGKSA-N 0 3 278.352 0.929 20 10 CCCDHN COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000840957362 616687243 /nfs/dbraw/zinc/68/72/43/616687243.db2.gz LIDORELOKTXBCU-ZDUSSCGKSA-N 0 3 278.352 0.929 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(CO)COCCN1C ZINC000896457376 632253400 /nfs/dbraw/zinc/25/34/00/632253400.db2.gz ISDXIQFLTFJIHM-OAHLLOKOSA-N 0 3 280.368 0.483 20 10 CCCDHN CCNS(=O)(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226595117 636989281 /nfs/dbraw/zinc/98/92/81/636989281.db2.gz PEKXXBPTMBPAEF-UHFFFAOYSA-N 0 3 276.333 0.560 20 10 CCCDHN O=C(/C=C\c1ccc(O)c(O)c1)NCCN1CC[C@@H](O)C1 ZINC000863320078 645079408 /nfs/dbraw/zinc/07/94/08/645079408.db2.gz HDQQBBRFZJLLJD-DTRQGZQOSA-N 0 3 292.335 0.294 20 10 CCCDHN COc1cc(CN2CCN3CC[C@@H]3C2)c(O)cc1O ZINC001231641047 805823933 /nfs/dbraw/zinc/82/39/33/805823933.db2.gz YCCMQYHFYTUGRB-LLVKDONJSA-N 0 3 264.325 0.996 20 10 CCCDHN COc1cc(O)c(CN2CC[C@H](CO)[C@@H](O)C2)c(OC)c1 ZINC001141031580 799973791 /nfs/dbraw/zinc/97/37/91/799973791.db2.gz IDEUAXBPVWJLIS-YGRLFVJLSA-N 0 3 297.351 0.585 20 10 CCCDHN CN(C)C[C@H]1CN(Cc2cc(O)ccc2O)CCO1 ZINC001141156903 799985260 /nfs/dbraw/zinc/98/52/60/799985260.db2.gz XDHWHHKHFJXRFD-ZDUSSCGKSA-N 0 3 266.341 0.860 20 10 CCCDHN N[C@H]1CN(C(=O)CCc2ccc(O)c(O)c2)C[C@H]1F ZINC001157539065 801410421 /nfs/dbraw/zinc/41/04/21/801410421.db2.gz YRHNOGUXNRYKCH-ZJUUUORDSA-N 0 3 268.288 0.538 20 10 CCCDHN COc1ccc(CN2CCN(CCCO)CC2)c(O)c1 ZINC001203621686 803038553 /nfs/dbraw/zinc/03/85/53/803038553.db2.gz YUDXIINQPNTCMI-UHFFFAOYSA-N 0 3 280.368 0.901 20 10 CCCDHN COc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC001203622065 803039255 /nfs/dbraw/zinc/03/92/55/803039255.db2.gz NEFABYXCPHXGNS-HIFRSBDPSA-N 0 3 278.352 0.916 20 10 CCCDHN CCOC(=O)[C@H]1CNCCN1Cc1cccc(OC)c1O ZINC000088658169 803484164 /nfs/dbraw/zinc/48/41/64/803484164.db2.gz MPLKVIQNJWIXFQ-GFCCVEGCSA-N 0 3 294.351 0.738 20 10 CCCDHN CN1CCN(CCC(=O)NCc2ccccc2O)CC1 ZINC000169820199 819920771 /nfs/dbraw/zinc/92/07/71/819920771.db2.gz KQAYGYWQMSCUAN-UHFFFAOYSA-N 0 3 277.368 0.646 20 10 CCCDHN Cc1ccc(CNCC(=O)N2CCCO2)c(O)c1 ZINC001184277107 844204173 /nfs/dbraw/zinc/20/41/73/844204173.db2.gz KELKYWNVIDWQIL-UHFFFAOYSA-N 0 3 250.298 0.954 20 10 CCCDHN [NH3+]C1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001160519552 839975356 /nfs/dbraw/zinc/97/53/56/839975356.db2.gz OVGBKPCQFWLJAL-UHFFFAOYSA-N 0 3 252.270 0.367 20 10 CCCDHN O=C1CC[C@@H]2CN(Cc3c(O)cc(O)cc3O)CCN12 ZINC001144514545 840074478 /nfs/dbraw/zinc/07/44/78/840074478.db2.gz KGFCIDWZJNJRIE-SECBINFHSA-N 0 3 278.308 0.610 20 10 CCCDHN COC(=O)[C@H]1CN(Cc2ccc(N)cc2)C[C@H]1C(=O)OC ZINC001334753229 919744182 /nfs/dbraw/zinc/74/41/82/919744182.db2.gz BIWUFYGNMNIKHI-BETUJISGSA-N 0 3 292.335 0.663 20 10 CCCDHN [NH3+]C[C@]1(C(=O)NCc2c([O-])cccc2F)CCCOC1 ZINC001358168624 926649594 /nfs/dbraw/zinc/64/95/94/926649594.db2.gz WKKJOCXIHLFXLC-CQSZACIVSA-N 0 3 282.315 0.903 20 10 CCCDHN CNS(=O)(=O)CCNCc1cccc(OC)c1O ZINC000190304073 351717582 /nfs/dbraw/zinc/71/75/82/351717582.db2.gz HJWXDWLNLQZTEG-UHFFFAOYSA-N 0 3 274.342 0.040 20 10 CCCDHN CN(C)S(=O)(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000230989581 352124401 /nfs/dbraw/zinc/12/44/01/352124401.db2.gz RMQKSMLESCDOLT-UHFFFAOYSA-N 0 3 258.343 0.373 20 10 CCCDHN CN(C)c1ccc(CNC(=O)C[C@H]2CNCCO2)cc1F ZINC000269234342 352831504 /nfs/dbraw/zinc/83/15/04/352831504.db2.gz GAXXDJPTDPBMIP-LBPRGKRZSA-N 0 3 295.358 0.886 20 10 CCCDHN CN(C)c1ccc(CNC(=O)C[C@@H]2CNCCO2)cc1F ZINC000269234340 352831525 /nfs/dbraw/zinc/83/15/25/352831525.db2.gz GAXXDJPTDPBMIP-GFCCVEGCSA-N 0 3 295.358 0.886 20 10 CCCDHN COCC[C@H](CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000282147165 353397161 /nfs/dbraw/zinc/39/71/61/353397161.db2.gz HLYZBWUBPRYAMM-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN C[C@H]1CCNC(=O)[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000193673723 389077069 /nfs/dbraw/zinc/07/70/69/389077069.db2.gz UIXPMMNJZGAJAW-SDBXPKJASA-N 0 3 278.308 0.735 20 10 CCCDHN C[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269260683 389410450 /nfs/dbraw/zinc/41/04/50/389410450.db2.gz VPFPITQCNQPYRR-LBPRGKRZSA-N 0 3 291.395 0.859 20 10 CCCDHN COCCN(CCO)Cc1cc(OC)ccc1O ZINC000180025573 389665370 /nfs/dbraw/zinc/66/53/70/389665370.db2.gz SQPJVBBZSPELTI-UHFFFAOYSA-N 0 3 255.314 0.842 20 10 CCCDHN CNS(=O)(=O)CCN[C@H](C)c1cc(OC)ccc1O ZINC000187198375 262392225 /nfs/dbraw/zinc/39/22/25/262392225.db2.gz ZYOARTPYDCQZNS-SECBINFHSA-N 0 3 288.369 0.601 20 10 CCCDHN Cc1cccc(CN2CCC(S(N)(=O)=O)CC2)c1O ZINC000369049159 267219063 /nfs/dbraw/zinc/21/90/63/267219063.db2.gz KYJDUQIHIUZWJS-UHFFFAOYSA-N 0 3 284.381 0.954 20 10 CCCDHN [O-]c1ccc(F)cc1C[NH2+]CCCn1cc(CO)nn1 ZINC000291526004 328264250 /nfs/dbraw/zinc/26/42/50/328264250.db2.gz JPWZLNFHRIUPDH-UHFFFAOYSA-N 0 3 280.303 0.795 20 10 CCCDHN CN(C(=O)c1cn[n-]c1[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000424148025 330294934 /nfs/dbraw/zinc/29/49/34/330294934.db2.gz SSMTZFOYKZODJW-SNVBAGLBSA-N 0 3 288.355 0.887 20 10 CCCDHN CN1CCN(C)[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226608301 333266101 /nfs/dbraw/zinc/26/61/01/333266101.db2.gz OIWAIJGGMBFQMQ-ZDUSSCGKSA-N 0 3 267.348 0.867 20 10 CCCDHN C[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126272275 523981375 /nfs/dbraw/zinc/98/13/75/523981375.db2.gz TVYGDUBCMQGYPA-SECBINFHSA-N 0 3 250.298 0.779 20 10 CCCDHN C[N@H+]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126272275 523981377 /nfs/dbraw/zinc/98/13/77/523981377.db2.gz TVYGDUBCMQGYPA-SECBINFHSA-N 0 3 250.298 0.779 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068803535 524753588 /nfs/dbraw/zinc/75/35/88/524753588.db2.gz HGOIVIPDYSRRHT-CYBMUJFWSA-N 0 3 279.384 0.736 20 10 CCCDHN OC[C@@H]1C[C@H](O)CN1Cc1cc2c(cc1O)OCO2 ZINC000274904015 527599013 /nfs/dbraw/zinc/59/90/13/527599013.db2.gz HTBMJZFVWCFROP-UWVGGRQHSA-N 0 3 267.281 0.048 20 10 CCCDHN Cn1nnnc1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000779107353 581174780 /nfs/dbraw/zinc/17/47/80/581174780.db2.gz ZWDFDDJWULURMH-UHFFFAOYSA-N 0 3 251.265 0.387 20 10 CCCDHN O=C(NCCNc1cc[nH+]cc1)c1cccc(O)c1[O-] ZINC000790559452 581190360 /nfs/dbraw/zinc/19/03/60/581190360.db2.gz MMLDOZQSYQXRGD-UHFFFAOYSA-N 0 3 273.292 0.757 20 10 CCCDHN CC(C(=O)NCCc1ccc(O)c(O)c1)S(C)(=O)=O ZINC000768898983 581661654 /nfs/dbraw/zinc/66/16/54/581661654.db2.gz DARQVJFNRLHPNS-MRVPVSSYSA-N 0 3 287.337 0.190 20 10 CCCDHN COc1ccc(N2CC[C@@H](CNC(=O)CN)C2)cc1 ZINC000843506173 617267972 /nfs/dbraw/zinc/26/79/72/617267972.db2.gz LOUNJCASKGDIDQ-NSHDSACASA-N 0 3 263.341 0.596 20 10 CCCDHN COc1ccc(O)c(CN[C@H](C)C(=O)N(C)OC)c1 ZINC000862542465 617273655 /nfs/dbraw/zinc/27/36/55/617273655.db2.gz QABSWSXXZDBKSJ-SECBINFHSA-N 0 3 268.313 0.899 20 10 CCCDHN CCN1CCN(CCNC(=O)C2=CC(=O)CS2)CC1 ZINC000807433762 615158732 /nfs/dbraw/zinc/15/87/32/615158732.db2.gz NQNJQUDDQGDWTH-UHFFFAOYSA-N 0 3 283.397 0.821 20 10 CCCDHN CCOc1ccc(O)c(CN[C@H]2CCNC2=O)c1 ZINC000850343879 615512230 /nfs/dbraw/zinc/51/22/30/615512230.db2.gz SOFCVKVWQGXCAI-NSHDSACASA-N 0 3 250.298 0.769 20 10 CCCDHN CN(C)c1ccc(/C=C\CNC(CO)CO)cc1 ZINC000835040256 616011236 /nfs/dbraw/zinc/01/12/36/616011236.db2.gz OOYMFAQKYZMAPJ-ARJAWSKDSA-N 0 3 250.342 0.709 20 10 CCCDHN CN(C)c1ccc(CN2CCN(C)[C@H](CO)C2)cc1 ZINC000931400652 616013958 /nfs/dbraw/zinc/01/39/58/616013958.db2.gz AWQNONXORNGBSH-HNNXBMFYSA-N 0 3 263.385 0.861 20 10 CCCDHN CN(CCO)CCNC(=O)Nc1ccc(N)cc1 ZINC000886960855 616104354 /nfs/dbraw/zinc/10/43/54/616104354.db2.gz FOYRERODMWLUOD-UHFFFAOYSA-N 0 3 252.318 0.314 20 10 CCCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1COCCO1 ZINC000853557847 616165213 /nfs/dbraw/zinc/16/52/13/616165213.db2.gz OXJIJIDZACRBKR-SMDDNHRTSA-N 0 3 295.335 0.665 20 10 CCCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1COCCO1 ZINC000853557847 616165214 /nfs/dbraw/zinc/16/52/14/616165214.db2.gz OXJIJIDZACRBKR-SMDDNHRTSA-N 0 3 295.335 0.665 20 10 CCCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929976313 616171085 /nfs/dbraw/zinc/17/10/85/616171085.db2.gz MYVBFFIUUUJOIA-HIFRSBDPSA-N 0 3 281.352 0.726 20 10 CCCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929976313 616171086 /nfs/dbraw/zinc/17/10/86/616171086.db2.gz MYVBFFIUUUJOIA-HIFRSBDPSA-N 0 3 281.352 0.726 20 10 CCCDHN CN1CCOC[C@]1(CO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903276802 616250780 /nfs/dbraw/zinc/25/07/80/616250780.db2.gz CCRVYKACEXWHPP-XJKSGUPXSA-N 0 3 292.379 0.662 20 10 CCCDHN COCCNCC(=O)N[C@H](C)c1ccccc1O ZINC000870988209 616508269 /nfs/dbraw/zinc/50/82/69/616508269.db2.gz IUXABJDPKYJNCR-SNVBAGLBSA-N 0 3 252.314 0.805 20 10 CCCDHN COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(F)ccc1[O-] ZINC000843124361 616692356 /nfs/dbraw/zinc/69/23/56/616692356.db2.gz ZDCGLKLNRLGWLO-GFCCVEGCSA-N 0 3 282.315 0.868 20 10 CCCDHN COC[C@@H]1C[C@@H](O)CN1Cc1cc(OC)c(OC)cc1O ZINC000846046790 616992290 /nfs/dbraw/zinc/99/22/90/616992290.db2.gz BEJFJXQCDDNMHM-NWDGAFQWSA-N 0 3 297.351 0.991 20 10 CCCDHN C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccccc1[O-] ZINC000927031483 633579245 /nfs/dbraw/zinc/57/92/45/633579245.db2.gz OFIPSFKHQVQNTF-VHSXEESVSA-N 0 3 273.354 0.448 20 10 CCCDHN C[C@H]1NC(=O)N(CC[N@H+](C)Cc2ccccc2[O-])C1=O ZINC000838895216 640278583 /nfs/dbraw/zinc/27/85/83/640278583.db2.gz LTMZJRCYOCMCLN-SNVBAGLBSA-N 0 3 277.324 0.764 20 10 CCCDHN C[C@H]1NC(=O)N(CC[N@@H+](C)Cc2ccccc2[O-])C1=O ZINC000838895216 640278586 /nfs/dbraw/zinc/27/85/86/640278586.db2.gz LTMZJRCYOCMCLN-SNVBAGLBSA-N 0 3 277.324 0.764 20 10 CCCDHN OC[C@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000839160249 640307120 /nfs/dbraw/zinc/30/71/20/640307120.db2.gz SBKVSDPYJBSKAH-AWEZNQCLSA-N 0 3 281.308 0.440 20 10 CCCDHN Cc1cccc(O)c1CN1CCC[C@H](S(N)(=O)=O)C1 ZINC000877343044 646799710 /nfs/dbraw/zinc/79/97/10/646799710.db2.gz IFBRAAXSCQCSFV-NSHDSACASA-N 0 3 284.381 0.954 20 10 CCCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1COC[C@@H]1O ZINC000877667452 646833895 /nfs/dbraw/zinc/83/38/95/646833895.db2.gz HCLKWBYJNKDHDV-KGLIPLIRSA-N 0 3 250.342 0.910 20 10 CCCDHN C[C@H]([NH2+]C[C@H](O)C[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000931558639 649005095 /nfs/dbraw/zinc/00/50/95/649005095.db2.gz WBFQRLWCUIINFK-ZOWXZIJZSA-N 0 3 281.352 0.945 20 10 CCCDHN [O-]c1cc(O)c(CN2CCNC[C@]23CC[NH2+]C3)cc1Cl ZINC001234991122 806338479 /nfs/dbraw/zinc/33/84/79/806338479.db2.gz WMTMOBKHXMPHKA-CQSZACIVSA-N 0 3 297.786 0.889 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001237050979 806634895 /nfs/dbraw/zinc/63/48/95/806634895.db2.gz ZFVNPHKKGKQFHU-WFASDCNBSA-N 0 3 281.352 0.966 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001237050979 806634900 /nfs/dbraw/zinc/63/49/00/806634900.db2.gz ZFVNPHKKGKQFHU-WFASDCNBSA-N 0 3 281.352 0.966 20 10 CCCDHN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001237934728 806737030 /nfs/dbraw/zinc/73/70/30/806737030.db2.gz NJOKMOVUMGAEMZ-QPUJVOFHSA-N 0 3 275.707 0.970 20 10 CCCDHN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001237934728 806737037 /nfs/dbraw/zinc/73/70/37/806737037.db2.gz NJOKMOVUMGAEMZ-QPUJVOFHSA-N 0 3 275.707 0.970 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001140057683 799877421 /nfs/dbraw/zinc/87/74/21/799877421.db2.gz KBNWGCXMTXCYTL-RNCFNFMXSA-N 0 3 255.289 0.706 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001140057683 799877427 /nfs/dbraw/zinc/87/74/27/799877427.db2.gz KBNWGCXMTXCYTL-RNCFNFMXSA-N 0 3 255.289 0.706 20 10 CCCDHN Cc1c(O)ccc(CN2CCN(CCCO)CC2)c1O ZINC001140744412 799937572 /nfs/dbraw/zinc/93/75/72/799937572.db2.gz WQGGLYLXAHWDEF-UHFFFAOYSA-N 0 3 280.368 0.906 20 10 CCCDHN CN1CCOc2cc(CN3CC[C@H](O)[C@@H](CO)C3)ccc21 ZINC001141140900 799984631 /nfs/dbraw/zinc/98/46/31/799984631.db2.gz RHVUDWWAWAUKDV-HIFRSBDPSA-N 0 3 292.379 0.690 20 10 CCCDHN CN1CCOc2cc(CN3CC[C@H](O)[C@H](CO)C3)ccc21 ZINC001141140991 799984715 /nfs/dbraw/zinc/98/47/15/799984715.db2.gz RHVUDWWAWAUKDV-ZFWWWQNUSA-N 0 3 292.379 0.690 20 10 CCCDHN C[C@H](NS(=O)(=O)CCN)c1ccc(N(C)C)cc1 ZINC001238636806 806794987 /nfs/dbraw/zinc/79/49/87/806794987.db2.gz SUBGETZVLYNEJV-JTQLQIEISA-N 0 3 271.386 0.692 20 10 CCCDHN C[C@@H]1CCN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1[NH3+] ZINC001157821470 801495409 /nfs/dbraw/zinc/49/54/09/801495409.db2.gz MIBBGPRDYPARSA-APPZFPTMSA-N 0 3 266.297 0.613 20 10 CCCDHN C[C@]1(CO)CC[N@H+](Cc2ccc(O)cc2[O-])C[C@@H]1O ZINC001204276954 803075998 /nfs/dbraw/zinc/07/59/98/803075998.db2.gz UQKZHWZCXHBOKP-UONOGXRCSA-N 0 3 267.325 0.663 20 10 CCCDHN C[C@]1(CO)CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@@H]1O ZINC001204276954 803076000 /nfs/dbraw/zinc/07/60/00/803076000.db2.gz UQKZHWZCXHBOKP-UONOGXRCSA-N 0 3 267.325 0.663 20 10 CCCDHN CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000400111152 803762316 /nfs/dbraw/zinc/76/23/16/803762316.db2.gz FWIQDRGOIZZQJT-LLVKDONJSA-N 0 3 288.344 0.655 20 10 CCCDHN NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2O1 ZINC001277192020 805332849 /nfs/dbraw/zinc/33/28/49/805332849.db2.gz JLHAOTAGBGHTCH-OSMZGAPFSA-N 0 3 292.335 0.563 20 10 CCCDHN NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2O1 ZINC001277192020 805332856 /nfs/dbraw/zinc/33/28/56/805332856.db2.gz JLHAOTAGBGHTCH-OSMZGAPFSA-N 0 3 292.335 0.563 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CN1 ZINC001246309281 807217360 /nfs/dbraw/zinc/21/73/60/807217360.db2.gz JGQJTFDWOKUUND-OCCSQVGLSA-N 0 3 277.368 0.746 20 10 CCCDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccccc1[O-] ZINC001251036291 807651031 /nfs/dbraw/zinc/65/10/31/807651031.db2.gz FGXSCYCHPGGTHY-CHWSQXEVSA-N 0 3 280.368 0.736 20 10 CCCDHN CC(C)(CNS(C)(=O)=O)[NH2+]Cc1ccccc1[O-] ZINC000708222389 819765763 /nfs/dbraw/zinc/76/57/63/819765763.db2.gz GTGVDTJVZDMFJV-UHFFFAOYSA-N 0 3 272.370 0.810 20 10 CCCDHN CN(C[C@H]1CNCCO1)C(=O)Cc1ccc(N)cc1 ZINC001157720198 837318042 /nfs/dbraw/zinc/31/80/42/837318042.db2.gz CJVWGOPYVAUBTR-CYBMUJFWSA-N 0 3 263.341 0.258 20 10 CCCDHN COCC[C@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC001119299452 856620989 /nfs/dbraw/zinc/62/09/89/856620989.db2.gz NWOLKJXFIKEXIE-KOLCDFICSA-N 0 3 252.314 0.933 20 10 CCCDHN O=C(C[C@@H]1C[NH2+]CCO1)NCc1c([O-])cccc1F ZINC001341768698 892600037 /nfs/dbraw/zinc/60/00/37/892600037.db2.gz VPEINQGCJWLQSY-SECBINFHSA-N 0 3 268.288 0.526 20 10 CCCDHN O[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001319713270 910266717 /nfs/dbraw/zinc/26/67/17/910266717.db2.gz WENRLIVJHVHIDP-GASCZTMLSA-N 0 3 262.353 0.824 20 10 CCCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CNCCN2C)c1 ZINC001341827229 922690794 /nfs/dbraw/zinc/69/07/94/922690794.db2.gz VVFFIDXVBURRAP-GXFFZTMASA-N 0 3 293.367 0.482 20 10 CCCDHN Cn1cc(N2CC[C@@H](NCc3ccc(N)cc3)C2=O)cn1 ZINC001352788787 925641862 /nfs/dbraw/zinc/64/18/62/925641862.db2.gz HFMFLZTXGZYRAH-CQSZACIVSA-N 0 3 285.351 0.897 20 10 CCCDHN CNS(=O)(=O)[C@H]1CCN(Cc2cc(C)ccc2O)C1 ZINC000092068425 349482777 /nfs/dbraw/zinc/48/27/77/349482777.db2.gz AEEZSGGRMLHWLW-LBPRGKRZSA-N 0 3 284.381 0.824 20 10 CCCDHN COCCOC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000294973483 199277870 /nfs/dbraw/zinc/27/78/70/199277870.db2.gz OOMOKILQRPKMAC-ZDUSSCGKSA-N 0 3 269.341 0.848 20 10 CCCDHN COCCOC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000294973483 199277872 /nfs/dbraw/zinc/27/78/72/199277872.db2.gz OOMOKILQRPKMAC-ZDUSSCGKSA-N 0 3 269.341 0.848 20 10 CCCDHN COc1ccc(O)c(CN2C[C@@H](O)C[C@H]2CO)c1 ZINC000187671033 351553125 /nfs/dbraw/zinc/55/31/25/351553125.db2.gz PGOPAKQOELNNOE-QWRGUYRKSA-N 0 3 253.298 0.328 20 10 CCCDHN C[N@H+](CCCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000171936915 389482386 /nfs/dbraw/zinc/48/23/86/389482386.db2.gz RWZYRVUTMPPODH-UHFFFAOYSA-N 0 3 265.313 0.799 20 10 CCCDHN C[N@@H+](CCCC(=O)NC(N)=O)Cc1ccccc1[O-] ZINC000171936915 389482388 /nfs/dbraw/zinc/48/23/88/389482388.db2.gz RWZYRVUTMPPODH-UHFFFAOYSA-N 0 3 265.313 0.799 20 10 CCCDHN Cc1ccc(O)c(CN2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000372747361 389455950 /nfs/dbraw/zinc/45/59/50/389455950.db2.gz XZQMRCFWTVCFGN-LBPRGKRZSA-N 0 3 284.381 0.954 20 10 CCCDHN COc1cccc(C[NH2+]CCCS(C)(=O)=O)c1[O-] ZINC000038047193 174056594 /nfs/dbraw/zinc/05/65/94/174056594.db2.gz SYHYRRFHSNXRIU-UHFFFAOYSA-N 0 3 273.354 0.925 20 10 CCCDHN CN(C)c1ccc(CNC(=O)C[C@@H]2CNCCO2)cc1 ZINC000091310494 327102306 /nfs/dbraw/zinc/10/23/06/327102306.db2.gz JOQLERYMNIBQCI-CQSZACIVSA-N 0 3 277.368 0.747 20 10 CCCDHN CNC(=O)CNCc1cc(Cl)cc(OC)c1O ZINC000228668733 329344374 /nfs/dbraw/zinc/34/43/74/329344374.db2.gz KAIMEHVOMFRQEE-UHFFFAOYSA-N 0 3 258.705 0.890 20 10 CCCDHN C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(O)c1[O-] ZINC000187201582 521856148 /nfs/dbraw/zinc/85/61/48/521856148.db2.gz BSUYAUCOJCYWLP-ZDUSSCGKSA-N 0 3 268.313 0.140 20 10 CCCDHN CNC(=O)[C@@H](NCc1cc2c(cc1O)OCO2)C(C)C ZINC000785583989 581413121 /nfs/dbraw/zinc/41/31/21/581413121.db2.gz UJNSFFWAFYVNJM-ZDUSSCGKSA-N 0 3 280.324 0.981 20 10 CCCDHN CNC(=O)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000785583989 581413122 /nfs/dbraw/zinc/41/31/22/581413122.db2.gz UJNSFFWAFYVNJM-ZDUSSCGKSA-N 0 3 280.324 0.981 20 10 CCCDHN COc1cc(C)cc(CN[C@H]2CCNC2=O)c1O ZINC000895227054 617175984 /nfs/dbraw/zinc/17/59/84/617175984.db2.gz YZYYSABGRJCDDU-JTQLQIEISA-N 0 3 250.298 0.687 20 10 CCCDHN COc1ccc(CN[C@@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC000969785275 617259329 /nfs/dbraw/zinc/25/93/29/617259329.db2.gz HZOKLAFIEZKZKW-GFCCVEGCSA-N 0 3 291.351 0.179 20 10 CCCDHN CCON(C)C(=O)CNCc1ccc(OC)c(OC)c1O ZINC000895166183 615336598 /nfs/dbraw/zinc/33/65/98/615336598.db2.gz PDZQYTBYRIDVAF-UHFFFAOYSA-N 0 3 298.339 0.909 20 10 CCCDHN CC[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccccc1[O-] ZINC000927022519 615535901 /nfs/dbraw/zinc/53/59/01/615535901.db2.gz DWYFOKTXSIJLED-ZYHUDNBSSA-N 0 3 287.381 0.838 20 10 CCCDHN CO[C@@H](CN)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000884191955 617164124 /nfs/dbraw/zinc/16/41/24/617164124.db2.gz RQQNYWIOOSYBQZ-AWEZNQCLSA-N 0 3 293.367 0.113 20 10 CCCDHN C[C@H]1COC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000932494294 624611799 /nfs/dbraw/zinc/61/17/99/624611799.db2.gz PGSXFYMWOVZPKK-WFASDCNBSA-N 0 3 291.395 0.993 20 10 CCCDHN CN1C(=O)CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC000234345097 624886937 /nfs/dbraw/zinc/88/69/37/624886937.db2.gz UFCBZNIAAYBUHL-JTQLQIEISA-N 0 3 266.272 0.768 20 10 CCCDHN C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccccc1[O-] ZINC000903279096 634549723 /nfs/dbraw/zinc/54/97/23/634549723.db2.gz ILKOIXJSVAKBTF-DOMZBBRYSA-N 0 3 280.368 0.736 20 10 CCCDHN Cc1ccc(C[NH2+]C[C@@]2(CO)COCCN2C)c([O-])c1 ZINC000896460682 632253538 /nfs/dbraw/zinc/25/35/38/632253538.db2.gz QTLWHFWZLXQKMB-OAHLLOKOSA-N 0 3 280.368 0.483 20 10 CCCDHN CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228796868 637075952 /nfs/dbraw/zinc/07/59/52/637075952.db2.gz FRNZPGIJHARTLK-JTQLQIEISA-N 0 3 272.370 0.982 20 10 CCCDHN NCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843483015 643073243 /nfs/dbraw/zinc/07/32/43/643073243.db2.gz BOMHGVIBGVAKMS-GFCCVEGCSA-N 0 3 264.325 0.859 20 10 CCCDHN NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccccc1[O-] ZINC000858224423 644600041 /nfs/dbraw/zinc/60/00/41/644600041.db2.gz FTBZFCRGCLGXAL-ZDUSSCGKSA-N 0 3 277.368 0.822 20 10 CCCDHN O=C1NCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877619536 646829866 /nfs/dbraw/zinc/82/98/66/646829866.db2.gz CQXJNRKPTRVOCD-HNNXBMFYSA-N 0 3 289.379 0.626 20 10 CCCDHN COc1cc(CN2CC[C@H](CO)[C@H](O)C2)c(O)cc1O ZINC001231634315 805823126 /nfs/dbraw/zinc/82/31/26/805823126.db2.gz LEOBKWXHOPKGEH-NOZJJQNGSA-N 0 3 283.324 0.282 20 10 CCCDHN CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(O)c(O)cc1O ZINC001233484820 806062218 /nfs/dbraw/zinc/06/22/18/806062218.db2.gz YRJSGTJKDJYAKL-GHMZBOCLSA-N 0 3 292.335 0.999 20 10 CCCDHN [O-]c1c(F)cccc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234982795 806327012 /nfs/dbraw/zinc/32/70/12/806327012.db2.gz QOQWPWHUMUXOSP-AWEZNQCLSA-N 0 3 265.332 0.669 20 10 CCCDHN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001237124647 806640787 /nfs/dbraw/zinc/64/07/87/806640787.db2.gz PVMGFAYLWWECSO-HQJQHLMTSA-N 0 3 275.707 0.970 20 10 CCCDHN [O-]c1ccc(F)c(Cl)c1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001237124647 806640788 /nfs/dbraw/zinc/64/07/88/806640788.db2.gz PVMGFAYLWWECSO-HQJQHLMTSA-N 0 3 275.707 0.970 20 10 CCCDHN CSCC[C@H](N)C(=O)NCc1ccc(N)cc1 ZINC000083396616 799870139 /nfs/dbraw/zinc/87/01/39/799870139.db2.gz WXQCTASKGRZPAL-NSHDSACASA-N 0 3 253.371 0.965 20 10 CCCDHN COc1cc(O)c(CN2C[C@H](CO)[C@H](O)C2)c(OC)c1 ZINC001141031981 799973562 /nfs/dbraw/zinc/97/35/62/799973562.db2.gz PICYJXGZMSGISG-NOZJJQNGSA-N 0 3 283.324 0.194 20 10 CCCDHN COc1cc(CN2CC(N(C)C)C2)cc(O)c1O ZINC001204344749 803080232 /nfs/dbraw/zinc/08/02/32/803080232.db2.gz YDZGRVBZFQJBDZ-UHFFFAOYSA-N 0 3 252.314 0.852 20 10 CCCDHN COc1cc(O)c(CN2C[C@@H](F)[C@@H](N)C2)c(OC)c1 ZINC001204830398 803102837 /nfs/dbraw/zinc/10/28/37/803102837.db2.gz TURRUCLRWJUVHZ-MNOVXSKESA-N 0 3 270.304 0.890 20 10 CCCDHN NC(=O)[C@@H]1CCSC12CN(Cc1ccc(O)cc1O)C2 ZINC001277192029 805334087 /nfs/dbraw/zinc/33/40/87/805334087.db2.gz JQDKJHIPWHCAIS-NSHDSACASA-N 0 3 294.376 0.891 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001203621542 844442587 /nfs/dbraw/zinc/44/25/87/844442587.db2.gz WZOJPKCVEKDGOP-HUUCEWRRSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c([O-])c1 ZINC001203621542 844442593 /nfs/dbraw/zinc/44/25/93/844442593.db2.gz WZOJPKCVEKDGOP-HUUCEWRRSA-N 0 3 281.352 0.966 20 10 CCCDHN COC[C@H](CO)NCc1ccc(N2CCOCC2)cc1 ZINC000234801312 840690870 /nfs/dbraw/zinc/69/08/70/840690870.db2.gz NMXYHDLUGWIPFG-AWEZNQCLSA-N 0 3 280.368 0.620 20 10 CCCDHN CN(C)C(=O)CN1CC2(C1)CN(Cc1ccccc1O)C2 ZINC001275267818 848681233 /nfs/dbraw/zinc/68/12/33/848681233.db2.gz XZSLRBKSHXXGPT-UHFFFAOYSA-N 0 3 289.379 0.598 20 10 CCCDHN C[C@]1(CO)CC[N@H+](Cc2ccccc2[O-])C[C@H]1O ZINC001203550253 897683007 /nfs/dbraw/zinc/68/30/07/897683007.db2.gz OFXLTMQZWSMOSC-ZIAGYGMSSA-N 0 3 251.326 0.957 20 10 CCCDHN C[C@]1(CO)CC[N@@H+](Cc2ccccc2[O-])C[C@H]1O ZINC001203550253 897683012 /nfs/dbraw/zinc/68/30/12/897683012.db2.gz OFXLTMQZWSMOSC-ZIAGYGMSSA-N 0 3 251.326 0.957 20 10 CCCDHN [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205240643 897725760 /nfs/dbraw/zinc/72/57/60/897725760.db2.gz MMTMHBZFXOKNOK-OAHLLOKOSA-N 0 3 294.351 0.766 20 10 CCCDHN [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001205240643 897725769 /nfs/dbraw/zinc/72/57/69/897725769.db2.gz MMTMHBZFXOKNOK-OAHLLOKOSA-N 0 3 294.351 0.766 20 10 CCCDHN O=C1NCCC[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000050395534 348475026 /nfs/dbraw/zinc/47/50/26/348475026.db2.gz LWISDICVVSRVCP-VIFPVBQESA-N 0 3 264.281 0.489 20 10 CCCDHN CN1CCN(C)[C@@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000225319946 352001134 /nfs/dbraw/zinc/00/11/34/352001134.db2.gz IJYHSDQHFGPGGJ-HNNXBMFYSA-N 0 3 275.396 0.957 20 10 CCCDHN C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccccc1[O-] ZINC000230994466 352124918 /nfs/dbraw/zinc/12/49/18/352124918.db2.gz SUAHKMPSLAHMMD-JTQLQIEISA-N 0 3 272.370 0.934 20 10 CCCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)OCCO ZINC000288572971 353686305 /nfs/dbraw/zinc/68/63/05/353686305.db2.gz ZVOFQANFTFBSTA-UHFFFAOYSA-N 0 3 283.324 0.998 20 10 CCCDHN Cc1cc(CN2C[C@@H](O)C[C@H]2CO)ccc1N(C)C ZINC000294526019 199072669 /nfs/dbraw/zinc/07/26/69/199072669.db2.gz JKGNZXYTEAOAOL-KBPBESRZSA-N 0 3 264.369 0.989 20 10 CCCDHN O=C(NCC[NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000134225287 389243018 /nfs/dbraw/zinc/24/30/18/389243018.db2.gz ZHRBWLQIBUOGEC-UHFFFAOYSA-N 0 3 278.308 0.737 20 10 CCCDHN CN(CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000267124483 389369256 /nfs/dbraw/zinc/36/92/56/389369256.db2.gz BHOMQPOLDJNGDB-UHFFFAOYSA-N 0 3 250.342 0.947 20 10 CCCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2COCCN2)c1 ZINC000530182731 390876046 /nfs/dbraw/zinc/87/60/46/390876046.db2.gz YWVYYOQSQJCZCR-LBPRGKRZSA-N 0 3 266.341 0.869 20 10 CCCDHN COC[C@H](O)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000153769690 261082688 /nfs/dbraw/zinc/08/26/88/261082688.db2.gz AVTSXZWJAAXOCW-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@]1(O)CCOC1)OCO2 ZINC000229638003 333307114 /nfs/dbraw/zinc/30/71/14/333307114.db2.gz YPPRMTLWEPFFJL-ZDUSSCGKSA-N 0 3 267.281 0.362 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1COCCN1)OCO2 ZINC000530180540 333527207 /nfs/dbraw/zinc/52/72/07/333527207.db2.gz CFSVUEAUGOJGBF-JTQLQIEISA-N 0 3 266.297 0.199 20 10 CCCDHN COCCN(C)CCNC(=O)Cc1ccc(N)cc1 ZINC000061374523 523588642 /nfs/dbraw/zinc/58/86/42/523588642.db2.gz LUUHMWLEIAVNSI-UHFFFAOYSA-N 0 3 265.357 0.506 20 10 CCCDHN C[C@H](CN1CCOCC1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879839 524357172 /nfs/dbraw/zinc/35/71/72/524357172.db2.gz DQBMTEQFFMNNOT-LLVKDONJSA-N 0 3 294.351 0.931 20 10 CCCDHN Cc1ccc([O-])c(C[NH2+]CCCn2cc(CO)nn2)c1 ZINC000289912108 525348331 /nfs/dbraw/zinc/34/83/31/525348331.db2.gz RRVRAGUKXPQACW-UHFFFAOYSA-N 0 3 276.340 0.964 20 10 CCCDHN C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000752662299 581511523 /nfs/dbraw/zinc/51/15/23/581511523.db2.gz SYSRQFNZCJNUPT-NSHDSACASA-N 0 3 258.343 0.496 20 10 CCCDHN COc1cccc(O)c1CN1CC[C@H](NC(N)=O)C1 ZINC000770383159 581740563 /nfs/dbraw/zinc/74/05/63/581740563.db2.gz TYQRHRXEGOPFGK-VIFPVBQESA-N 0 3 265.313 0.643 20 10 CCCDHN COC[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000732672698 581841352 /nfs/dbraw/zinc/84/13/52/581841352.db2.gz XRJOMYYSKPYIOF-ZDUSSCGKSA-N 0 3 255.314 0.888 20 10 CCCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(N)=O ZINC000774485750 581976065 /nfs/dbraw/zinc/97/60/65/581976065.db2.gz UWAYVLAQCZAFMW-UWVGGRQHSA-N 0 3 278.356 0.987 20 10 CCCDHN Cc1cccc(CN2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000775697334 582034510 /nfs/dbraw/zinc/03/45/10/582034510.db2.gz ZMOWSJQABVEWSZ-LBPRGKRZSA-N 0 3 284.381 0.954 20 10 CCCDHN COc1ccc(CNCc2c[nH]nn2)c(O)c1OC ZINC000895534148 617258788 /nfs/dbraw/zinc/25/87/88/617258788.db2.gz UFLRAKCLOCSIET-UHFFFAOYSA-N 0 3 264.285 0.817 20 10 CCCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H](CN)OC)c1 ZINC000884310338 617274327 /nfs/dbraw/zinc/27/43/27/617274327.db2.gz VPDLJFQWGXHGNL-UFBFGSQYSA-N 0 3 268.313 0.552 20 10 CCCDHN CCOc1ccc(C[NH+](CCO)CCO)c([O-])c1 ZINC000862430183 615510211 /nfs/dbraw/zinc/51/02/11/615510211.db2.gz QLFLPOUHPCLULC-UHFFFAOYSA-N 0 3 255.314 0.578 20 10 CCCDHN CCOc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)c([O-])c1 ZINC000858298322 615511169 /nfs/dbraw/zinc/51/11/69/615511169.db2.gz POLRSJFAKNDREC-CYBMUJFWSA-N 0 3 280.368 0.947 20 10 CCCDHN C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000834565477 615937023 /nfs/dbraw/zinc/93/70/23/615937023.db2.gz ULJFEHNKXFCPLP-HNNXBMFYSA-N 0 3 294.351 0.627 20 10 CCCDHN CN(C)c1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000841654086 616015257 /nfs/dbraw/zinc/01/52/57/616015257.db2.gz MRIGDUVZCYWNPO-CQSZACIVSA-N 0 3 292.383 0.540 20 10 CCCDHN CN(C)c1ccc(CNS(=O)(=O)C2CNC2)cc1F ZINC000923602145 616015815 /nfs/dbraw/zinc/01/58/15/616015815.db2.gz FAGAUOXOIFABQJ-UHFFFAOYSA-N 0 3 287.360 0.283 20 10 CCCDHN CN1CC(=O)N(CC[N@H+](C)Cc2ccccc2[O-])C1=O ZINC000851841119 616084997 /nfs/dbraw/zinc/08/49/97/616084997.db2.gz NGAPLGHMUCLJEK-UHFFFAOYSA-N 0 3 277.324 0.718 20 10 CCCDHN CN1CC(=O)N(CC[N@@H+](C)Cc2ccccc2[O-])C1=O ZINC000851841119 616084999 /nfs/dbraw/zinc/08/49/99/616084999.db2.gz NGAPLGHMUCLJEK-UHFFFAOYSA-N 0 3 277.324 0.718 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccccc2[O-])C1 ZINC000843434403 616424058 /nfs/dbraw/zinc/42/40/58/616424058.db2.gz KRZDHDXHOKHEQT-VXGBXAGGSA-N 0 3 265.309 0.748 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000843434403 616424060 /nfs/dbraw/zinc/42/40/60/616424060.db2.gz KRZDHDXHOKHEQT-VXGBXAGGSA-N 0 3 265.309 0.748 20 10 CCCDHN CO[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000825016743 616775986 /nfs/dbraw/zinc/77/59/86/616775986.db2.gz HGWIURJTIGLOFW-HZPDHXFCSA-N 0 3 292.379 0.715 20 10 CCCDHN C[C@]1(NCc2cc3c(cc2O)OCO3)CCNC1=O ZINC000897872368 633250033 /nfs/dbraw/zinc/25/00/33/633250033.db2.gz SWRONBGSYBBLNN-ZDUSSCGKSA-N 0 3 264.281 0.489 20 10 CCCDHN O[C@@H]1COCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824620428 641835587 /nfs/dbraw/zinc/83/55/87/641835587.db2.gz ODJLYMJFXNAWDT-INIZCTEOSA-N 0 3 292.379 0.716 20 10 CCCDHN CN(Cc1cccc(Br)c1[O-])C[C@@H](O)C[NH3+] ZINC000841094647 642802974 /nfs/dbraw/zinc/80/29/74/642802974.db2.gz ZWQPZYSUWMNOEJ-VIFPVBQESA-N 0 3 289.173 0.906 20 10 CCCDHN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(N)nc(N)n1 ZINC000858476742 644624856 /nfs/dbraw/zinc/62/48/56/644624856.db2.gz NVRXPRYOVNZJFU-LURJTMIESA-N 0 3 276.300 0.490 20 10 CCCDHN O=S(=O)(NCCCSc1nccs1)C1CNC1 ZINC000923608947 645872195 /nfs/dbraw/zinc/87/21/95/645872195.db2.gz DPDRBSBVZQIVFC-UHFFFAOYSA-N 0 3 293.439 0.517 20 10 CCCDHN C[C@H](NC(=O)C[C@@H]1CNCCO1)c1ccccc1O ZINC000870988410 646073838 /nfs/dbraw/zinc/07/38/38/646073838.db2.gz OSFMEPFKFRVBJO-WDEREUQCSA-N 0 3 264.325 0.948 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000877584505 646825593 /nfs/dbraw/zinc/82/55/93/646825593.db2.gz GKRZZYNLLHVDJE-LLVKDONJSA-N 0 3 262.313 0.443 20 10 CCCDHN C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccccc1[O-] ZINC000879651257 647089664 /nfs/dbraw/zinc/08/96/64/647089664.db2.gz OTICUSSRCIXIDY-JTQLQIEISA-N 0 3 289.335 0.640 20 10 CCCDHN COc1cc(CN2CC3(CN(C)C3)C2)c(O)cc1O ZINC001231640919 805824787 /nfs/dbraw/zinc/82/47/87/805824787.db2.gz WVQPRRJQFASLFE-UHFFFAOYSA-N 0 3 264.325 0.854 20 10 CCCDHN COc1cc(CN2CC[C@@](C)(CO)[C@@H](O)C2)c(O)cc1O ZINC001231634237 805821578 /nfs/dbraw/zinc/82/15/78/805821578.db2.gz JRJWWWLLMTUJHW-GJZGRUSLSA-N 0 3 297.351 0.672 20 10 CCCDHN COC(=O)Cc1ccc(C[N@H+](C)CCO)c([O-])c1 ZINC001236259524 806558731 /nfs/dbraw/zinc/55/87/31/806558731.db2.gz XOQIRKSAQYKJCI-UHFFFAOYSA-N 0 3 253.298 0.532 20 10 CCCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCO)c([O-])c1 ZINC001236259524 806558738 /nfs/dbraw/zinc/55/87/38/806558738.db2.gz XOQIRKSAQYKJCI-UHFFFAOYSA-N 0 3 253.298 0.532 20 10 CCCDHN COC(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1[NH3+] ZINC001236351466 806582521 /nfs/dbraw/zinc/58/25/21/806582521.db2.gz USFCNESUFPSJHG-MWLCHTKSSA-N 0 3 284.743 0.978 20 10 CCCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236808089 806612430 /nfs/dbraw/zinc/61/24/30/806612430.db2.gz MEMWSMGLDLIXMP-BXUZGUMPSA-N 0 3 281.352 0.884 20 10 CCCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001236808089 806612434 /nfs/dbraw/zinc/61/24/34/806612434.db2.gz MEMWSMGLDLIXMP-BXUZGUMPSA-N 0 3 281.352 0.884 20 10 CCCDHN COc1ccc(CN[C@@H](CO)CNC(=O)C2CC2)cc1C ZINC001278032987 806622974 /nfs/dbraw/zinc/62/29/74/806622974.db2.gz DZBZFRPXAOHGED-CQSZACIVSA-N 0 3 292.379 0.980 20 10 CCCDHN COc1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001203621566 803039217 /nfs/dbraw/zinc/03/92/17/803039217.db2.gz XLTRVBQNPXOROP-GWCFXTLKSA-N 0 3 253.298 0.186 20 10 CCCDHN COc1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001203621566 803039226 /nfs/dbraw/zinc/03/92/26/803039226.db2.gz XLTRVBQNPXOROP-GWCFXTLKSA-N 0 3 253.298 0.186 20 10 CCCDHN [NH3+][C@@H]1CCN(Cc2cc(Cl)c([O-])cc2O)C[C@H]1O ZINC001205967606 803193287 /nfs/dbraw/zinc/19/32/87/803193287.db2.gz RRUUTJVVYHTYRE-BXKDBHETSA-N 0 3 272.732 0.645 20 10 CCCDHN C[C@H]1C[NH2+]C[C@H](CNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001219656924 804396518 /nfs/dbraw/zinc/39/65/18/804396518.db2.gz FHGOFYNZTHGZMB-RKDXNWHRSA-N 0 3 280.324 0.779 20 10 CCCDHN O=C(N[C@@H]1CCC[NH2+]C1)c1cc(O)c([O-])c(O)c1 ZINC001220894828 804694902 /nfs/dbraw/zinc/69/49/02/804694902.db2.gz LSSRKVNRDDAKSI-MRVPVSSYSA-N 0 3 252.270 0.285 20 10 CCCDHN CN1C[C@]2(CCN(Cc3cc(O)ccc3O)C2)OCC1=O ZINC001272386861 816379654 /nfs/dbraw/zinc/37/96/54/816379654.db2.gz OQXBSZGCSOEKQJ-HNNXBMFYSA-N 0 3 292.335 0.531 20 10 CCCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237046338 817443113 /nfs/dbraw/zinc/44/31/13/817443113.db2.gz AHQPLJHDHZOTRI-SMDDNHRTSA-N 0 3 267.325 0.576 20 10 CCCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237046338 817443120 /nfs/dbraw/zinc/44/31/20/817443120.db2.gz AHQPLJHDHZOTRI-SMDDNHRTSA-N 0 3 267.325 0.576 20 10 CCCDHN O=C1COCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)N1 ZINC001204276611 843249468 /nfs/dbraw/zinc/24/94/68/843249468.db2.gz OQYZLQVZLMVBFT-UHFFFAOYSA-N 0 3 292.335 0.579 20 10 CCCDHN COc1ccc(O)c(CNCC(=O)N(C)OC)c1 ZINC000397549456 854432450 /nfs/dbraw/zinc/43/24/50/854432450.db2.gz SEABBGOVWBDVGF-UHFFFAOYSA-N 0 3 254.286 0.510 20 10 CCCDHN CN1CCN(c2ccc(CN[C@H]3CNOC3)cc2F)CC1 ZINC001120269632 857024887 /nfs/dbraw/zinc/02/48/87/857024887.db2.gz WLJFXOYBGOTWPI-ZDUSSCGKSA-N 0 3 294.374 0.571 20 10 CCCDHN NC(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC001319931757 910357412 /nfs/dbraw/zinc/35/74/12/910357412.db2.gz CIGFUNCVIOJIBC-CYBMUJFWSA-N 0 3 292.335 0.515 20 10 CCCDHN CCOc1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1O ZINC000093483636 349544005 /nfs/dbraw/zinc/54/40/05/349544005.db2.gz LGHHLGZVCPIWRA-PHIMTYICSA-N 0 3 253.298 0.328 20 10 CCCDHN CN1CCN(C)[C@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000272438532 353064054 /nfs/dbraw/zinc/06/40/54/353064054.db2.gz OIWAIJGGMBFQMQ-CYBMUJFWSA-N 0 3 267.348 0.867 20 10 CCCDHN CC[N@H+](CCOCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000282788432 353451700 /nfs/dbraw/zinc/45/17/00/353451700.db2.gz QWIIBTRIWCYBIK-UHFFFAOYSA-N 0 3 283.324 0.952 20 10 CCCDHN CC[N@@H+](CCOCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000282788432 353451703 /nfs/dbraw/zinc/45/17/03/353451703.db2.gz QWIIBTRIWCYBIK-UHFFFAOYSA-N 0 3 283.324 0.952 20 10 CCCDHN CCN(CCOCCO)Cc1cc2c(cc1O)OCO2 ZINC000282788432 353451704 /nfs/dbraw/zinc/45/17/04/353451704.db2.gz QWIIBTRIWCYBIK-UHFFFAOYSA-N 0 3 283.324 0.952 20 10 CCCDHN COc1cc(O)c(CN(C)[C@@H]2COC[C@H]2O)cc1OC ZINC000289191064 353687723 /nfs/dbraw/zinc/68/77/23/353687723.db2.gz AVUSUNZPHWRPQM-ZYHUDNBSSA-N 0 3 283.324 0.601 20 10 CCCDHN CNS(=O)(=O)[C@H]1CCN(Cc2cccc(C)c2O)C1 ZINC000373226890 389466667 /nfs/dbraw/zinc/46/66/67/389466667.db2.gz DFHJRVXELNTAIU-LBPRGKRZSA-N 0 3 284.381 0.824 20 10 CCCDHN COCC[C@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000281140828 389608554 /nfs/dbraw/zinc/60/85/54/389608554.db2.gz DSMRTVZEGKSADD-LLVKDONJSA-N 0 3 285.340 0.896 20 10 CCCDHN COc1cccc(CN(C)CC(=O)N2CCNCC2)c1O ZINC000038030909 174023440 /nfs/dbraw/zinc/02/34/40/174023440.db2.gz FHXAIQYPTWODRW-UHFFFAOYSA-N 0 3 293.367 0.264 20 10 CCCDHN NC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000237931350 328010727 /nfs/dbraw/zinc/01/07/27/328010727.db2.gz UXDWFGSLAGDABP-UHFFFAOYSA-N 0 3 275.352 0.631 20 10 CCCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)COC1CNC1 ZINC000431014319 330577787 /nfs/dbraw/zinc/57/77/87/330577787.db2.gz IXFYQYJUAHGOET-UHFFFAOYSA-N 0 3 291.351 0.466 20 10 CCCDHN CCCOc1ccc(CN2C[C@H](O)[C@@H](O)C2)c(O)c1 ZINC000278299927 520352990 /nfs/dbraw/zinc/35/29/90/520352990.db2.gz DHOYTFUORPLGIB-KBPBESRZSA-N 0 3 267.325 0.718 20 10 CCCDHN CN(C)S(=O)(=O)NCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000291447093 521962533 /nfs/dbraw/zinc/96/25/33/521962533.db2.gz LIJMJPUPAYTUGI-UHFFFAOYSA-N 0 3 291.348 0.017 20 10 CCCDHN [O-]c1ccccc1C[NH2+]CCCn1cc(CO)nn1 ZINC000289686543 527639833 /nfs/dbraw/zinc/63/98/33/527639833.db2.gz CQJCPOSAVXCDPU-UHFFFAOYSA-N 0 3 262.313 0.656 20 10 CCCDHN COc1ccc(O)c([C@H](C)Nc2nc(N)nc(N)n2)c1 ZINC000858391485 617274409 /nfs/dbraw/zinc/27/44/09/617274409.db2.gz JDCIUIWTCNTGJZ-LURJTMIESA-N 0 3 276.300 0.923 20 10 CCCDHN COc1ccc(O)c(CN2CCC(O)(CO)CC2)c1 ZINC000827147680 617272480 /nfs/dbraw/zinc/27/24/80/617272480.db2.gz VLVSSFZXSPWKMT-UHFFFAOYSA-N 0 3 267.325 0.720 20 10 CCCDHN COc1cccc(CN[C@@H]2CCS(=O)(=O)C2)c1O ZINC000019899965 617300456 /nfs/dbraw/zinc/30/04/56/617300456.db2.gz DGDDSZPFZRSTIJ-SNVBAGLBSA-N 0 3 271.338 0.678 20 10 CCCDHN C[NH+](C)CCOCCNC(=O)NCc1c([O-])cccc1F ZINC000922145249 615905855 /nfs/dbraw/zinc/90/58/55/615905855.db2.gz RSNUNSPNAVXPTP-UHFFFAOYSA-N 0 3 299.346 0.909 20 10 CCCDHN CN(C)c1ccc([C@H](CNC(=O)CCO)N(C)C)cc1 ZINC000903044556 616019357 /nfs/dbraw/zinc/01/93/57/616019357.db2.gz AQZLTIRTJBDPHZ-AWEZNQCLSA-N 0 3 279.384 0.854 20 10 CCCDHN COC(=O)[C@H]1C[C@@H](O)CN(Cc2c(O)cccc2OC)C1 ZINC000843433618 616707175 /nfs/dbraw/zinc/70/71/75/616707175.db2.gz AWZIAPYGWWJDQJ-WDEREUQCSA-N 0 3 295.335 0.757 20 10 CCCDHN O[C@@H]1COC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000323822264 636905943 /nfs/dbraw/zinc/90/59/43/636905943.db2.gz KKKQEYIDVOBHPD-LSDHHAIUSA-N 0 3 278.352 0.373 20 10 CCCDHN C[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868640 644033142 /nfs/dbraw/zinc/03/31/42/644033142.db2.gz KUPYYOFHJCHXSQ-LLVKDONJSA-N 0 3 277.368 0.611 20 10 CCCDHN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(N)nc(N)n1 ZINC000858476743 644625165 /nfs/dbraw/zinc/62/51/65/644625165.db2.gz NVRXPRYOVNZJFU-ZCFIWIBFSA-N 0 3 276.300 0.490 20 10 CCCDHN COc1cccc(CN2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749407 646837933 /nfs/dbraw/zinc/83/79/33/646837933.db2.gz VASQXMMGMCHHBU-MNOVXSKESA-N 0 3 253.298 0.328 20 10 CCCDHN CN(C)C(=O)C1CN(Cc2ccc(N(C)C)cc2O)C1 ZINC001232839643 805986496 /nfs/dbraw/zinc/98/64/96/805986496.db2.gz SBBKEQDNLCKMGB-UHFFFAOYSA-N 0 3 277.368 0.978 20 10 CCCDHN O=C1NCC[C@@]12CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014912 806006508 /nfs/dbraw/zinc/00/65/08/806006508.db2.gz ZEYLXGKEAQZAOW-AWEZNQCLSA-N 0 3 278.308 0.515 20 10 CCCDHN [O-]c1ccc(F)c(F)c1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234991066 806337352 /nfs/dbraw/zinc/33/73/52/806337352.db2.gz PKLFTPQVVDRXSW-AWEZNQCLSA-N 0 3 283.322 0.808 20 10 CCCDHN COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(F)ccc1[O-] ZINC001236200400 806552468 /nfs/dbraw/zinc/55/24/68/806552468.db2.gz RYQGOGCPJACHRZ-MNOVXSKESA-N 0 3 268.288 0.606 20 10 CCCDHN COc1cc(C)c(CN2CC(C(N)=O)C2)c(O)c1 ZINC001236810942 806612917 /nfs/dbraw/zinc/61/29/17/806612917.db2.gz LQTRKFPICDHHDI-UHFFFAOYSA-N 0 3 250.298 0.626 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001237484987 806674470 /nfs/dbraw/zinc/67/44/70/806674470.db2.gz KTLAXBOLBDYEED-RISCZKNCSA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001237484987 806674474 /nfs/dbraw/zinc/67/44/74/806674474.db2.gz KTLAXBOLBDYEED-RISCZKNCSA-N 0 3 251.326 0.876 20 10 CCCDHN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001237934721 806737083 /nfs/dbraw/zinc/73/70/83/806737083.db2.gz NJOKMOVUMGAEMZ-PELKAZGASA-N 0 3 275.707 0.970 20 10 CCCDHN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001237934721 806737089 /nfs/dbraw/zinc/73/70/89/806737089.db2.gz NJOKMOVUMGAEMZ-PELKAZGASA-N 0 3 275.707 0.970 20 10 CCCDHN CN(C)C(=O)C1CN(Cc2ccc(O)cc2O)C1 ZINC001204279064 803076431 /nfs/dbraw/zinc/07/64/31/803076431.db2.gz PCQGQAZLEIEXER-UHFFFAOYSA-N 0 3 250.298 0.618 20 10 CCCDHN COC[C@@H](CO)NCc1ccc(N2CCOCC2)cc1 ZINC000234876538 840711099 /nfs/dbraw/zinc/71/10/99/840711099.db2.gz NMXYHDLUGWIPFG-CQSZACIVSA-N 0 3 280.368 0.620 20 10 CCCDHN C[N@H+]1C[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]2C1 ZINC001148584591 840852723 /nfs/dbraw/zinc/85/27/23/840852723.db2.gz VMARFIOLYLVQNA-AOOOYVTPSA-N 0 3 278.308 0.437 20 10 CCCDHN C[N@@H+]1C[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]2C1 ZINC001148584591 840852733 /nfs/dbraw/zinc/85/27/33/840852733.db2.gz VMARFIOLYLVQNA-AOOOYVTPSA-N 0 3 278.308 0.437 20 10 CCCDHN CN(C)c1ccc(CNCCNS(C)(=O)=O)cc1F ZINC001177683796 842650842 /nfs/dbraw/zinc/65/08/42/842650842.db2.gz VIFTUZJPTKTMDI-UHFFFAOYSA-N 0 3 289.376 0.531 20 10 CCCDHN COc1cc(C)c(CNCC(=O)N2CCCO2)c(O)c1 ZINC001474747049 910540795 /nfs/dbraw/zinc/54/07/95/910540795.db2.gz NNDBATMJHGOWSJ-UHFFFAOYSA-N 0 3 280.324 0.963 20 10 CCCDHN Nc1ccc(CC(=O)N[C@@H]2COC3(CNC3)C2)cc1 ZINC001340735743 922191083 /nfs/dbraw/zinc/19/10/83/922191083.db2.gz PLTCFPQGLNOMBN-LBPRGKRZSA-N 0 3 261.325 0.058 20 10 CCCDHN C[C@H](NC(=O)[C@@H](N)C(C)(C)O)c1ccccc1O ZINC001342307918 922900386 /nfs/dbraw/zinc/90/03/86/922900386.db2.gz SGPLMEKCNRGVEV-GZMMTYOYSA-N 0 3 252.314 0.668 20 10 CCCDHN COC[C@H](O)CNCc1ccc(N(C)C)c(F)c1 ZINC000117946629 349894136 /nfs/dbraw/zinc/89/41/36/349894136.db2.gz MMQMJNGJTWMASZ-LLVKDONJSA-N 0 3 256.321 0.989 20 10 CCCDHN CN(C)C(=O)CNCc1cc2c(cc1O)OCO2 ZINC000042879693 348300112 /nfs/dbraw/zinc/30/01/12/348300112.db2.gz FHPYOJXDQBYFBP-UHFFFAOYSA-N 0 3 252.270 0.299 20 10 CCCDHN CCOc1cccc(CN2C[C@@H](O)C[C@H]2CO)c1O ZINC000187662969 351551068 /nfs/dbraw/zinc/55/10/68/351551068.db2.gz XWVDTADMWARYDC-RYUDHWBXSA-N 0 3 267.325 0.718 20 10 CCCDHN OC[C@]1(NCc2cc3c(cc2O)OCO3)CCOC1 ZINC000273531020 353112791 /nfs/dbraw/zinc/11/27/91/353112791.db2.gz VDEQRYZOECBNSA-CYBMUJFWSA-N 0 3 267.281 0.362 20 10 CCCDHN CN(CCOCCO)Cc1cc2c(cc1O)OCO2 ZINC000282722315 353447695 /nfs/dbraw/zinc/44/76/95/353447695.db2.gz LPKSRAQBEPPLGZ-UHFFFAOYSA-N 0 3 269.297 0.562 20 10 CCCDHN CCOc1ccc(O)c(CN(CCO)CCCO)c1 ZINC000093324138 389037055 /nfs/dbraw/zinc/03/70/55/389037055.db2.gz FKHAJOOMTYHZMT-UHFFFAOYSA-N 0 3 269.341 0.968 20 10 CCCDHN CCOc1ccc([O-])c(C[N@H+](CCO)CCCO)c1 ZINC000093324138 389037058 /nfs/dbraw/zinc/03/70/58/389037058.db2.gz FKHAJOOMTYHZMT-UHFFFAOYSA-N 0 3 269.341 0.968 20 10 CCCDHN CCOc1ccc([O-])c(C[N@@H+](CCO)CCCO)c1 ZINC000093324138 389037059 /nfs/dbraw/zinc/03/70/59/389037059.db2.gz FKHAJOOMTYHZMT-UHFFFAOYSA-N 0 3 269.341 0.968 20 10 CCCDHN OC[C@@H]1C[C@@H](O)CN1Cc1cc2c(cc1O)OCO2 ZINC000372287805 389447161 /nfs/dbraw/zinc/44/71/61/389447161.db2.gz HTBMJZFVWCFROP-VHSXEESVSA-N 0 3 267.281 0.048 20 10 CCCDHN C[C@@H](C[S@](C)=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000168189129 389449649 /nfs/dbraw/zinc/44/96/49/389449649.db2.gz HTPAEJQIPISOEO-DCXZOGHSSA-N 0 3 271.338 0.978 20 10 CCCDHN CNC(=O)CC[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000180030449 389664926 /nfs/dbraw/zinc/66/49/26/389664926.db2.gz BQDSFZCZPDKGCC-UHFFFAOYSA-N 0 3 282.340 0.977 20 10 CCCDHN CNC(=O)CC[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000180030449 389664929 /nfs/dbraw/zinc/66/49/29/389664929.db2.gz BQDSFZCZPDKGCC-UHFFFAOYSA-N 0 3 282.340 0.977 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2COCCN2)c1 ZINC000530181951 390875835 /nfs/dbraw/zinc/87/58/35/390875835.db2.gz QVCUXNVIPUUESZ-LLVKDONJSA-N 0 3 252.314 0.479 20 10 CCCDHN CCOc1cccc(CNCCNS(C)(=O)=O)c1O ZINC000020203183 171067677 /nfs/dbraw/zinc/06/76/77/171067677.db2.gz XMRBXJRPLGXXAZ-UHFFFAOYSA-N 0 3 288.369 0.430 20 10 CCCDHN C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cc(F)ccc1[O-] ZINC000185200950 262046480 /nfs/dbraw/zinc/04/64/80/262046480.db2.gz VERGMEDFWCOINW-QMMMGPOBSA-N 0 3 281.287 0.734 20 10 CCCDHN CO[C@@H](CN)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000290100073 277278692 /nfs/dbraw/zinc/27/86/92/277278692.db2.gz JXMDSATWBGFJPR-ZDUSSCGKSA-N 0 3 279.340 0.452 20 10 CCCDHN COCCN1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000264618442 523874404 /nfs/dbraw/zinc/87/44/04/523874404.db2.gz RBLJKRKVBSBZRK-LBPRGKRZSA-N 0 3 294.351 0.931 20 10 CCCDHN COc1ccc(O)c(CNC(=O)C(C)S(C)(=O)=O)c1 ZINC000734016555 581540660 /nfs/dbraw/zinc/54/06/60/581540660.db2.gz ZSZPUPFSNFIVNE-MRVPVSSYSA-N 0 3 287.337 0.450 20 10 CCCDHN COc1cccc(O)c1CN1CC[C@@H](NC(N)=O)C1 ZINC000770383158 581740874 /nfs/dbraw/zinc/74/08/74/581740874.db2.gz TYQRHRXEGOPFGK-SECBINFHSA-N 0 3 265.313 0.643 20 10 CCCDHN COc1ccc(O)c(CN2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000775717886 582034908 /nfs/dbraw/zinc/03/49/08/582034908.db2.gz TVWIGKQVMHBMFZ-ZFWWWQNUSA-N 0 3 278.352 0.916 20 10 CCCDHN C[C@H](NCC(=O)NC(N)=O)c1ccc(N(C)C)cc1 ZINC000775838335 582042004 /nfs/dbraw/zinc/04/20/04/582042004.db2.gz XDGBGDZGAIINPO-VIFPVBQESA-N 0 3 264.329 0.598 20 10 CCCDHN COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccccc2[O-])C1 ZINC000843434398 616707226 /nfs/dbraw/zinc/70/72/26/616707226.db2.gz KRZDHDXHOKHEQT-NWDGAFQWSA-N 0 3 265.309 0.748 20 10 CCCDHN COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000843434398 616707228 /nfs/dbraw/zinc/70/72/28/616707228.db2.gz KRZDHDXHOKHEQT-NWDGAFQWSA-N 0 3 265.309 0.748 20 10 CCCDHN COC(=O)[C@]1(O)CCN(Cc2cc(OC)ccc2O)C1 ZINC000895702967 616785882 /nfs/dbraw/zinc/78/58/82/616785882.db2.gz IFSHTRVPPIACRG-AWEZNQCLSA-N 0 3 281.308 0.511 20 10 CCCDHN COCC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000052809730 623486807 /nfs/dbraw/zinc/48/68/07/623486807.db2.gz SKKOIKKDXGUDQH-ZDUSSCGKSA-N 0 3 265.357 0.733 20 10 CCCDHN O=S(=O)(CC[NH2+]Cc1ccccc1[O-])N1CCCC1 ZINC000311900935 623811079 /nfs/dbraw/zinc/81/10/79/623811079.db2.gz AZGVIINCZORXGL-UHFFFAOYSA-N 0 3 284.381 0.907 20 10 CCCDHN C[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248325 624792007 /nfs/dbraw/zinc/79/20/07/624792007.db2.gz KSOIMYMIXRJZTL-FZMZJTMJSA-N 0 3 279.384 0.852 20 10 CCCDHN C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(F)ccc1[O-] ZINC000903278055 634549249 /nfs/dbraw/zinc/54/92/49/634549249.db2.gz CVWHFTFDWXTJER-XHDPSFHLSA-N 0 3 298.358 0.875 20 10 CCCDHN CCOCCOC[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000228414025 637057974 /nfs/dbraw/zinc/05/79/74/637057974.db2.gz CHEVMOYGEGYALH-ZDUSSCGKSA-N 0 3 269.341 0.896 20 10 CCCDHN [NH3+]CCN(CCO)Cc1cc(Br)ccc1[O-] ZINC000841059709 642802477 /nfs/dbraw/zinc/80/24/77/642802477.db2.gz VPIWQOVSBQILSX-UHFFFAOYSA-N 0 3 289.173 0.908 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000850358377 643799018 /nfs/dbraw/zinc/79/90/18/643799018.db2.gz OHFOBUANRBAMII-HNNXBMFYSA-N 0 3 297.351 0.658 20 10 CCCDHN C[C@H](O)[C@H](O)CNCc1ccc(N(C)C)c(F)c1 ZINC000865738684 645406838 /nfs/dbraw/zinc/40/68/38/645406838.db2.gz JEHIWPDTOMGKEB-TVQRCGJNSA-N 0 3 256.321 0.723 20 10 CCCDHN OCC1(CO)CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000877798153 646845551 /nfs/dbraw/zinc/84/55/51/646845551.db2.gz ZHLDFMCEBKQPCP-UHFFFAOYSA-N 0 3 295.335 0.688 20 10 CCCDHN C[C@H](NC(=O)CN[C@@H](C)c1ccccc1O)C(=O)N(C)C ZINC000879651985 647089925 /nfs/dbraw/zinc/08/99/25/647089925.db2.gz SDMGTEBLEYZMGX-QWRGUYRKSA-N 0 3 293.367 0.636 20 10 CCCDHN CCOc1cccc(CNC2(C(N)=O)CC2)c1O ZINC000191488734 649479849 /nfs/dbraw/zinc/47/98/49/649479849.db2.gz DALVVYMVICVHNA-UHFFFAOYSA-N 0 3 250.298 0.898 20 10 CCCDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000090025003 649666367 /nfs/dbraw/zinc/66/63/67/649666367.db2.gz YFVFRRXSFAIDNP-CYBMUJFWSA-N 0 3 275.352 0.990 20 10 CCCDHN C[C@]1(CO)CCN(Cc2cc(O)c(O)cc2O)C[C@H]1O ZINC001233482950 806059047 /nfs/dbraw/zinc/05/90/47/806059047.db2.gz IMWIXWMDCKSDPE-ZIAGYGMSSA-N 0 3 283.324 0.369 20 10 CCCDHN [O-]c1cccc(F)c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234982949 806325317 /nfs/dbraw/zinc/32/53/17/806325317.db2.gz RZXXRUNVFQVJMS-CQSZACIVSA-N 0 3 265.332 0.669 20 10 CCCDHN [O-]c1cc(F)c(F)cc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234991090 806337981 /nfs/dbraw/zinc/33/79/81/806337981.db2.gz WBCRPUNRTZIDOR-CQSZACIVSA-N 0 3 283.322 0.808 20 10 CCCDHN [O-]c1ccc(F)c(Cl)c1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001237124648 806640464 /nfs/dbraw/zinc/64/04/64/806640464.db2.gz PVMGFAYLWWECSO-RDDDGLTNSA-N 0 3 275.707 0.970 20 10 CCCDHN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001237124648 806640472 /nfs/dbraw/zinc/64/04/72/806640472.db2.gz PVMGFAYLWWECSO-RDDDGLTNSA-N 0 3 275.707 0.970 20 10 CCCDHN C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC001122172589 799160259 /nfs/dbraw/zinc/16/02/59/799160259.db2.gz DDZWCQASJLXDQB-QPUJVOFHSA-N 0 3 270.304 0.364 20 10 CCCDHN COc1cccc(CN2CCOC[C@@](C)(O)C2)c1O ZINC001203589752 803035326 /nfs/dbraw/zinc/03/53/26/803035326.db2.gz NGDTXMUHJCUZMI-AWEZNQCLSA-N 0 3 267.325 0.984 20 10 CCCDHN COc1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c([O-])c1 ZINC001203620344 803037649 /nfs/dbraw/zinc/03/76/49/803037649.db2.gz AGUNVLBLYAQBRK-CQSZACIVSA-N 0 3 267.325 0.984 20 10 CCCDHN COc1ccc(C[N@H+]2CCOC[C@](C)(O)C2)c([O-])c1 ZINC001203620344 803037654 /nfs/dbraw/zinc/03/76/54/803037654.db2.gz AGUNVLBLYAQBRK-CQSZACIVSA-N 0 3 267.325 0.984 20 10 CCCDHN COc1ccc(CN2CCOC[C@](C)(O)C2)c(O)c1 ZINC001203620344 803037662 /nfs/dbraw/zinc/03/76/62/803037662.db2.gz AGUNVLBLYAQBRK-CQSZACIVSA-N 0 3 267.325 0.984 20 10 CCCDHN O=C1NCC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]12 ZINC001204280597 803076722 /nfs/dbraw/zinc/07/67/22/803076722.db2.gz LEPVYLYHFRSAJS-JOYOIKCWSA-N 0 3 262.309 0.666 20 10 CCCDHN O=C1NCC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]12 ZINC001204280597 803076730 /nfs/dbraw/zinc/07/67/30/803076730.db2.gz LEPVYLYHFRSAJS-JOYOIKCWSA-N 0 3 262.309 0.666 20 10 CCCDHN CNC(=O)N[C@@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC001205291080 803133186 /nfs/dbraw/zinc/13/31/86/803133186.db2.gz FGYMBAPEVKDLII-LLVKDONJSA-N 0 3 279.340 0.904 20 10 CCCDHN COc1cc([O-])c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206536067 803262362 /nfs/dbraw/zinc/26/23/62/803262362.db2.gz XLKXZWRNHOVZMH-SDBXPKJASA-N 0 3 286.759 0.806 20 10 CCCDHN COC(=O)Cc1ccc(C[NH+]2CC(CO)C2)c([O-])c1 ZINC001249201099 807546456 /nfs/dbraw/zinc/54/64/56/807546456.db2.gz FIIVLCYDHQJDLX-UHFFFAOYSA-N 0 3 265.309 0.532 20 10 CCCDHN CCN(CCO)CCNC(=O)NCc1ccc(N)cc1 ZINC001120592333 816154484 /nfs/dbraw/zinc/15/44/84/816154484.db2.gz VQYQZMKTZUWDGU-UHFFFAOYSA-N 0 3 280.372 0.382 20 10 CCCDHN COC(=O)CN1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144508850 840072991 /nfs/dbraw/zinc/07/29/91/840072991.db2.gz APRGVLYJPHHOSF-UHFFFAOYSA-N 0 3 296.323 0.094 20 10 CCCDHN CN1CC[C@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836544 848573920 /nfs/dbraw/zinc/57/39/20/848573920.db2.gz JHKGHPXLQIHWFY-OAHLLOKOSA-N 0 3 292.335 0.858 20 10 CCCDHN C[C@@H]1[C@H](NC(=O)c2cccc(O)c2O)CCN1C ZINC000719336380 849308173 /nfs/dbraw/zinc/30/81/73/849308173.db2.gz IDIMAKNUHYKECJ-PSASIEDQSA-N 0 3 250.298 0.920 20 10 CCCDHN C[C@@]1(CO)C[N@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC001203549906 897675893 /nfs/dbraw/zinc/67/58/93/897675893.db2.gz CBFFNJGAMQWGJJ-KGLIPLIRSA-N 0 3 251.326 0.957 20 10 CCCDHN C[C@@]1(CO)C[N@@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC001203549906 897675901 /nfs/dbraw/zinc/67/59/01/897675901.db2.gz CBFFNJGAMQWGJJ-KGLIPLIRSA-N 0 3 251.326 0.957 20 10 CCCDHN Cc1cccc(CN2CCN(CCO)CC2)c1O ZINC000271826497 353034294 /nfs/dbraw/zinc/03/42/94/353034294.db2.gz QAIBUVFMVDRZOF-UHFFFAOYSA-N 0 3 250.342 0.811 20 10 CCCDHN CS(=O)(=O)NCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295773836 353918111 /nfs/dbraw/zinc/91/81/11/353918111.db2.gz ALKUJWAPTKHXPG-NSHDSACASA-N 0 3 284.381 0.908 20 10 CCCDHN O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)N1 ZINC000193468950 389070813 /nfs/dbraw/zinc/07/08/13/389070813.db2.gz NGZXNWAHGUWSKI-CQSZACIVSA-N 0 3 275.308 0.566 20 10 CCCDHN O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)N1 ZINC000193468950 389070816 /nfs/dbraw/zinc/07/08/16/389070816.db2.gz NGZXNWAHGUWSKI-CQSZACIVSA-N 0 3 275.308 0.566 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C[C@]1(O)CCOC1)OCO2 ZINC000229638013 333307167 /nfs/dbraw/zinc/30/71/67/333307167.db2.gz YPPRMTLWEPFFJL-CYBMUJFWSA-N 0 3 267.281 0.362 20 10 CCCDHN COC[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000125912851 522783178 /nfs/dbraw/zinc/78/31/78/522783178.db2.gz BJQLRZRULHPPGS-MRXNPFEDSA-N 0 3 294.395 0.962 20 10 CCCDHN CS(=O)(=O)C1(CNCc2cc3c(cc2O)OCO3)CC1 ZINC000279692650 525100687 /nfs/dbraw/zinc/10/06/87/525100687.db2.gz QAEDRUAUCCDUPD-UHFFFAOYSA-N 0 3 299.348 0.788 20 10 CCCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1COCCO1 ZINC000725846889 581150124 /nfs/dbraw/zinc/15/01/24/581150124.db2.gz QMZSYBSFXWDRGW-JTQLQIEISA-N 0 3 253.298 0.906 20 10 CCCDHN Cc1ccc(O)c(CN2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000785984484 581597762 /nfs/dbraw/zinc/59/77/62/581597762.db2.gz GHCLLOKNTCDXQR-LLVKDONJSA-N 0 3 270.354 0.563 20 10 CCCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000768137460 581645983 /nfs/dbraw/zinc/64/59/83/581645983.db2.gz LNQCUNXRZDTVNX-SECBINFHSA-N 0 3 250.298 0.708 20 10 CCCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000768137460 581645985 /nfs/dbraw/zinc/64/59/85/581645985.db2.gz LNQCUNXRZDTVNX-SECBINFHSA-N 0 3 250.298 0.708 20 10 CCCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)c1 ZINC000756557326 581671457 /nfs/dbraw/zinc/67/14/57/581671457.db2.gz SCSPCZMINJIXGX-ZYHUDNBSSA-N 0 3 296.367 0.752 20 10 CCCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCNC2=O)c1 ZINC000775369108 582021099 /nfs/dbraw/zinc/02/10/99/582021099.db2.gz JQCCYGNBBOOSAW-VIFPVBQESA-N 0 3 293.323 0.603 20 10 CCCDHN CN(CC(N)=O)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775648709 582032612 /nfs/dbraw/zinc/03/26/12/582032612.db2.gz ILCYAVKCZBXTII-UHFFFAOYSA-N 0 3 276.384 0.356 20 10 CCCDHN COC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000776173838 582056120 /nfs/dbraw/zinc/05/61/20/582056120.db2.gz ANRNDIFCXRHXGD-AWEZNQCLSA-N 0 3 285.340 0.896 20 10 CCCDHN COc1cccc(CN2CC(C)(C(N)=O)C2)c1O ZINC000843416440 617296653 /nfs/dbraw/zinc/29/66/53/617296653.db2.gz SHMBRNSUNRELQO-UHFFFAOYSA-N 0 3 250.298 0.708 20 10 CCCDHN COc1cccc([C@H](C)NCC(=O)N2CCOCC2)c1O ZINC000846158785 617309183 /nfs/dbraw/zinc/30/91/83/617309183.db2.gz KPSCIVFHMSRANL-NSHDSACASA-N 0 3 294.351 0.910 20 10 CCCDHN CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000898359234 615237303 /nfs/dbraw/zinc/23/73/03/615237303.db2.gz NNJDPQOWZIGBFB-STQMWFEESA-N 0 3 294.351 0.931 20 10 CCCDHN COC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000895706187 616561820 /nfs/dbraw/zinc/56/18/20/616561820.db2.gz DZGOHRPZUIBVFA-CYBMUJFWSA-N 0 3 251.282 0.502 20 10 CCCDHN COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000895706187 616561823 /nfs/dbraw/zinc/56/18/23/616561823.db2.gz DZGOHRPZUIBVFA-CYBMUJFWSA-N 0 3 251.282 0.502 20 10 CCCDHN COC(=O)[C@]1(O)CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000880566175 616785998 /nfs/dbraw/zinc/78/59/98/616785998.db2.gz WAOUUPGZYBAUFY-HNNXBMFYSA-N 0 3 278.352 0.862 20 10 CCCDHN C[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248327 624792244 /nfs/dbraw/zinc/79/22/44/624792244.db2.gz KSOIMYMIXRJZTL-SMDDNHRTSA-N 0 3 279.384 0.852 20 10 CCCDHN COCCN(CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000093005791 624996646 /nfs/dbraw/zinc/99/66/46/624996646.db2.gz IDZKKPDWVYFPBS-UHFFFAOYSA-N 0 3 294.395 0.964 20 10 CCCDHN O[C@@H]1COC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000323277149 633417503 /nfs/dbraw/zinc/41/75/03/633417503.db2.gz KKKQEYIDVOBHPD-HUUCEWRRSA-N 0 3 278.352 0.373 20 10 CCCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)CN(C)C ZINC000876767792 646660765 /nfs/dbraw/zinc/66/07/65/646660765.db2.gz PRZIHVMQUAGXHF-AWEZNQCLSA-N 0 3 278.400 0.566 20 10 CCCDHN C[C@H]([NH2+]C[C@@H](O)C1(O)CCOCC1)c1ccccc1[O-] ZINC000931555215 649004960 /nfs/dbraw/zinc/00/49/60/649004960.db2.gz VGBJHCFIELATTA-SMDDNHRTSA-N 0 3 281.352 0.945 20 10 CCCDHN COCCCN1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485820 806060918 /nfs/dbraw/zinc/06/09/18/806060918.db2.gz LRNOGUFJRNSJKK-UHFFFAOYSA-N 0 3 296.367 0.958 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1cccc(OC)c1O ZINC001236052975 806535885 /nfs/dbraw/zinc/53/58/85/806535885.db2.gz MQBFRWOZJMLILE-NSHDSACASA-N 0 3 280.324 0.348 20 10 CCCDHN COc1cc(O)c(CN(C)C[C@@H](O)CO)cc1OC ZINC001236752619 806607632 /nfs/dbraw/zinc/60/76/32/806607632.db2.gz YHQSMBUXOMBOSQ-SNVBAGLBSA-N 0 3 271.313 0.194 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237049485 806635557 /nfs/dbraw/zinc/63/55/57/806635557.db2.gz GVNMQZULJNVPNI-GXTWGEPZSA-N 0 3 281.352 0.966 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237049485 806635558 /nfs/dbraw/zinc/63/55/58/806635558.db2.gz GVNMQZULJNVPNI-GXTWGEPZSA-N 0 3 281.352 0.966 20 10 CCCDHN CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cccc(O)c1[O-] ZINC001157352166 801360257 /nfs/dbraw/zinc/36/02/57/801360257.db2.gz UNBQUZMCCBKPJO-JTQLQIEISA-N 0 3 295.339 0.071 20 10 CCCDHN [NH3+][C@H](CC(=O)N1CCC(O)CC1)c1ccccc1[O-] ZINC001161181603 802105846 /nfs/dbraw/zinc/10/58/46/802105846.db2.gz CHMYGXFOLHTNJV-GFCCVEGCSA-N 0 3 264.325 0.765 20 10 CCCDHN Oc1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001204276058 803077301 /nfs/dbraw/zinc/07/73/01/803077301.db2.gz FEQKQGHOHBNDBL-LBPRGKRZSA-N 0 3 264.325 0.614 20 10 CCCDHN CNC(=O)CCN(C)Cc1cc(O)c(O)c(OC)c1 ZINC001204345241 803081023 /nfs/dbraw/zinc/08/10/23/803081023.db2.gz PYZWCUKKCWJXDY-UHFFFAOYSA-N 0 3 268.313 0.674 20 10 CCCDHN COc1cc([O-])c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206481664 803252327 /nfs/dbraw/zinc/25/23/27/803252327.db2.gz XLKXZWRNHOVZMH-ISVAXAHUSA-N 0 3 286.759 0.806 20 10 CCCDHN COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c([O-])c1 ZINC001249178593 807546604 /nfs/dbraw/zinc/54/66/04/807546604.db2.gz SSCXHJBEWVLPQW-CYBMUJFWSA-N 0 3 295.335 0.301 20 10 CCCDHN COC(=O)Cc1ccc(C[N@H+]2CCOC[C@H](O)C2)c([O-])c1 ZINC001249178593 807546608 /nfs/dbraw/zinc/54/66/08/807546608.db2.gz SSCXHJBEWVLPQW-CYBMUJFWSA-N 0 3 295.335 0.301 20 10 CCCDHN COC(=O)Cc1ccc(CN2CCOC[C@H](O)C2)c(O)c1 ZINC001249178593 807546611 /nfs/dbraw/zinc/54/66/11/807546611.db2.gz SSCXHJBEWVLPQW-CYBMUJFWSA-N 0 3 295.335 0.301 20 10 CCCDHN C[C@H](CC(=O)N1CCOCC1)[NH2+]Cc1ccc(O)cc1[O-] ZINC001256324478 808495024 /nfs/dbraw/zinc/49/50/24/808495024.db2.gz SRVPDHXBOXQOSB-LLVKDONJSA-N 0 3 294.351 0.825 20 10 CCCDHN C[C@@H](CC(=O)N1CCOCC1)[NH2+]Cc1ccc(O)cc1[O-] ZINC001256324482 808495592 /nfs/dbraw/zinc/49/55/92/808495592.db2.gz SRVPDHXBOXQOSB-NSHDSACASA-N 0 3 294.351 0.825 20 10 CCCDHN C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(O)c([O-])c(O)c3)[C@@H]2C1 ZINC001270069818 813613051 /nfs/dbraw/zinc/61/30/51/813613051.db2.gz RCFAQJMZLIVVLJ-WCBMZHEXSA-N 0 3 278.308 0.580 20 10 CCCDHN C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(O)c([O-])c(O)c3)[C@@H]2C1 ZINC001270069818 813613057 /nfs/dbraw/zinc/61/30/57/813613057.db2.gz RCFAQJMZLIVVLJ-WCBMZHEXSA-N 0 3 278.308 0.580 20 10 CCCDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N)cc1 ZINC001120371141 816038402 /nfs/dbraw/zinc/03/84/02/816038402.db2.gz SIYJFDPWJQEYGM-CYBMUJFWSA-N 0 3 263.341 0.606 20 10 CCCDHN O=C(c1cccc(O)c1[O-])N(c1ncccn1)C1C[NH2+]C1 ZINC001148219124 840766922 /nfs/dbraw/zinc/76/69/22/840766922.db2.gz UHGVZWLTRRQDRI-UHFFFAOYSA-N 0 3 286.291 0.506 20 10 CCCDHN C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001148587041 840852601 /nfs/dbraw/zinc/85/26/01/840852601.db2.gz BEGYSWGETLDNAE-MEBBXXQBSA-N 0 3 292.335 0.827 20 10 CCCDHN N=c1cc(C[NH3+])ccn1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589917 840855314 /nfs/dbraw/zinc/85/53/14/840855314.db2.gz QKSJWEPMBURASC-UHFFFAOYSA-N 0 3 275.264 0.232 20 10 CCCDHN O=C(CNCc1ccc(N2CCOCC2)cc1)NC1CC1 ZINC000036782270 841225468 /nfs/dbraw/zinc/22/54/68/841225468.db2.gz REIOABBWODYPIL-UHFFFAOYSA-N 0 3 289.379 0.891 20 10 CCCDHN O=C1COC[C@@]2(C[NH2+]Cc3ccccc3[O-])COCCN12 ZINC000865801269 848040923 /nfs/dbraw/zinc/04/09/23/848040923.db2.gz UANCTINLYUFQAL-OAHLLOKOSA-N 0 3 292.335 0.110 20 10 CCCDHN C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC001119317358 856628966 /nfs/dbraw/zinc/62/89/66/856628966.db2.gz LDJUWQVLMGQXPD-LLVKDONJSA-N 0 3 299.392 0.983 20 10 CCCDHN C[C@@]1(CO)C[N@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC001203549905 897677035 /nfs/dbraw/zinc/67/70/35/897677035.db2.gz CBFFNJGAMQWGJJ-KBPBESRZSA-N 0 3 251.326 0.957 20 10 CCCDHN C[C@@]1(CO)C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC001203549905 897677045 /nfs/dbraw/zinc/67/70/45/897677045.db2.gz CBFFNJGAMQWGJJ-KBPBESRZSA-N 0 3 251.326 0.957 20 10 CCCDHN Cn1cc(N2CC[C@H](NCc3ccc(N)cc3)C2=O)cn1 ZINC001352788785 925641740 /nfs/dbraw/zinc/64/17/40/925641740.db2.gz HFMFLZTXGZYRAH-AWEZNQCLSA-N 0 3 285.351 0.897 20 10 CCCDHN COc1cccc(C[NH2+]CCC(=O)N(C)C)c1[O-] ZINC000037751524 348201290 /nfs/dbraw/zinc/20/12/90/348201290.db2.gz YYCQYELNTMQHSL-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN COc1ccc(O)c(CN[C@@]2(CO)CCOC2)c1 ZINC000184191514 351405199 /nfs/dbraw/zinc/40/51/99/351405199.db2.gz YIQQDMGXRDWORK-CYBMUJFWSA-N 0 3 253.298 0.642 20 10 CCCDHN COc1ccc([O-])c(C[NH2+][C@@]2(CO)CCOC2)c1 ZINC000184191514 351405205 /nfs/dbraw/zinc/40/52/05/351405205.db2.gz YIQQDMGXRDWORK-CYBMUJFWSA-N 0 3 253.298 0.642 20 10 CCCDHN COc1cc(O)c(CN(C)CC(C)(CO)CO)cc1OC ZINC000271815477 353034404 /nfs/dbraw/zinc/03/44/04/353034404.db2.gz MSIPEONRASNJLK-UHFFFAOYSA-N 0 3 299.367 0.832 20 10 CCCDHN c1cn([C@@H]2COC[C@@H]2NCc2ccc3c(c2)CCO3)nn1 ZINC000284473055 353555723 /nfs/dbraw/zinc/55/57/23/353555723.db2.gz AJGOHYBKOMMPML-UONOGXRCSA-N 0 3 286.335 0.943 20 10 CCCDHN CNS(=O)(=O)[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000376162499 389730364 /nfs/dbraw/zinc/73/03/64/389730364.db2.gz MIXAEYZDCSWAIL-LLVKDONJSA-N 0 3 270.354 0.516 20 10 CCCDHN COC(=O)CC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000290410846 523113408 /nfs/dbraw/zinc/11/34/08/523113408.db2.gz UFVWIDCNPQQOBX-CYBMUJFWSA-N 0 3 293.367 0.649 20 10 CCCDHN COC(=O)CC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000290410848 523116418 /nfs/dbraw/zinc/11/64/18/523116418.db2.gz UFVWIDCNPQQOBX-ZDUSSCGKSA-N 0 3 293.367 0.649 20 10 CCCDHN COCCN(C)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000061377901 523605965 /nfs/dbraw/zinc/60/59/65/523605965.db2.gz UCCJNVANSCMTAI-UHFFFAOYSA-N 0 3 282.340 0.789 20 10 CCCDHN C[C@@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794710233 581384892 /nfs/dbraw/zinc/38/48/92/581384892.db2.gz KKVACXFGJYHYNP-IUODEOHRSA-N 0 3 292.335 0.515 20 10 CCCDHN C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000794710233 581384893 /nfs/dbraw/zinc/38/48/93/581384893.db2.gz KKVACXFGJYHYNP-IUODEOHRSA-N 0 3 292.335 0.515 20 10 CCCDHN NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770510064 581748988 /nfs/dbraw/zinc/74/89/88/581748988.db2.gz IGNKCOKTTRIHMU-NSHDSACASA-N 0 3 284.381 0.893 20 10 CCCDHN NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770510064 581748990 /nfs/dbraw/zinc/74/89/90/581748990.db2.gz IGNKCOKTTRIHMU-NSHDSACASA-N 0 3 284.381 0.893 20 10 CCCDHN Cn1nnnc1CCNCc1ccc2c(c1)CCO2 ZINC000771872661 581832152 /nfs/dbraw/zinc/83/21/52/581832152.db2.gz HUTUYXLZJAMDHR-UHFFFAOYSA-N 0 3 259.313 0.477 20 10 CCCDHN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CNCCO2)c1 ZINC000828667696 617273944 /nfs/dbraw/zinc/27/39/44/617273944.db2.gz TXEPCOQYGKKVKJ-CMPLNLGQSA-N 0 3 294.351 0.957 20 10 CCCDHN CN(C)CCCS(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690223 615885452 /nfs/dbraw/zinc/88/54/52/615885452.db2.gz DCVMJPBQVOAWNR-UHFFFAOYSA-N 0 3 284.381 0.989 20 10 CCCDHN CN(CCO)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000925001908 616102832 /nfs/dbraw/zinc/10/28/32/616102832.db2.gz ZAYQLDNZAMYVGP-HWKANZROSA-N 0 3 280.324 0.151 20 10 CCCDHN CN1CCOC[C@@]1(CO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903276800 616249317 /nfs/dbraw/zinc/24/93/17/616249317.db2.gz CCRVYKACEXWHPP-CJNGLKHVSA-N 0 3 292.379 0.662 20 10 CCCDHN C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccccc1[O-] ZINC000925797170 631251276 /nfs/dbraw/zinc/25/12/76/631251276.db2.gz PHVWLKWSNSLOQB-NWDGAFQWSA-N 0 3 298.408 0.820 20 10 CCCDHN Cc1ccc(C(=O)N(C)CCN(C)CCO)c(O)c1O ZINC000912607530 636617905 /nfs/dbraw/zinc/61/79/05/636617905.db2.gz HHLVHIWJHCZBDG-UHFFFAOYSA-N 0 3 282.340 0.402 20 10 CCCDHN [NH3+]Cc1cc(=O)[n-]c(CNCc2ccc3c(c2)CCO3)n1 ZINC000863648598 645114014 /nfs/dbraw/zinc/11/40/14/645114014.db2.gz BBFUDCJIYUSIPT-UHFFFAOYSA-N 0 3 286.335 0.866 20 10 CCCDHN CN1C(=O)CC[C@@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000090027709 649666644 /nfs/dbraw/zinc/66/66/44/649666644.db2.gz LYUUSPZFSIIKCJ-SECBINFHSA-N 0 3 292.291 0.358 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(O)c(O)c(OC)c1 ZINC001236052929 806536365 /nfs/dbraw/zinc/53/63/65/806536365.db2.gz JZLICPVLJDBUPL-JTQLQIEISA-N 0 3 296.323 0.053 20 10 CCCDHN COc1cc(CN2C[C@H](CO)[C@H](O)C2)c(O)c(OC)c1 ZINC001237668314 806709116 /nfs/dbraw/zinc/70/91/16/806709116.db2.gz BZXAHCRLOXPFMV-ZYHUDNBSSA-N 0 3 283.324 0.194 20 10 CCCDHN NCCS(=O)(=O)Nc1ccc(O)cc1Br ZINC001237718915 806713597 /nfs/dbraw/zinc/71/35/97/806713597.db2.gz RGKORJBECQZVJK-UHFFFAOYSA-N 0 3 295.158 0.855 20 10 CCCDHN Cc1c(O)ccc(CN2CCOC[C@H](O)C2)c1O ZINC001140744403 799937995 /nfs/dbraw/zinc/93/79/95/799937995.db2.gz WLJXFMAOZSJRDS-LLVKDONJSA-N 0 3 253.298 0.599 20 10 CCCDHN COc1cc(O)c(CN2C[C@@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031983 799973714 /nfs/dbraw/zinc/97/37/14/799973714.db2.gz PICYJXGZMSGISG-TVQRCGJNSA-N 0 3 283.324 0.194 20 10 CCCDHN CN1CCOc2cc(CN3CC[C@H](CO)[C@@H](O)C3)ccc21 ZINC001141140244 799984186 /nfs/dbraw/zinc/98/41/86/799984186.db2.gz JUPVAASVYKMGSH-HIFRSBDPSA-N 0 3 292.379 0.690 20 10 CCCDHN CN1CCOc2cc(CN3CC[C@@H](O)[C@@H](CO)C3)ccc21 ZINC001141140988 799984852 /nfs/dbraw/zinc/98/48/52/799984852.db2.gz RHVUDWWAWAUKDV-UKRRQHHQSA-N 0 3 292.379 0.690 20 10 CCCDHN COC(=O)CO[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162912 799986642 /nfs/dbraw/zinc/98/66/42/799986642.db2.gz KIOUSAYPJPZDKL-LBPRGKRZSA-N 0 3 281.308 0.862 20 10 CCCDHN N[C@@H]1CN(Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001206675121 802165663 /nfs/dbraw/zinc/16/56/63/802165663.db2.gz HEGXJPJNWZBOSQ-LLVKDONJSA-N 0 3 274.267 0.972 20 10 CCCDHN NC(=O)NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204272863 803075184 /nfs/dbraw/zinc/07/51/84/803075184.db2.gz UHLMIDNYNZADKC-UHFFFAOYSA-N 0 3 265.313 0.731 20 10 CCCDHN CN1CCC2(CN(Cc3ccc(O)cc3O)C2)C1=O ZINC001204280676 803076060 /nfs/dbraw/zinc/07/60/60/803076060.db2.gz BMKWCSNBJJWZKW-UHFFFAOYSA-N 0 3 262.309 0.762 20 10 CCCDHN COc1cc([O-])c(CN2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206530595 803260931 /nfs/dbraw/zinc/26/09/31/803260931.db2.gz MJVAREYVNDEMEE-CABZTGNLSA-N 0 3 286.759 0.806 20 10 CCCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CN1CCOCC1 ZINC001251022104 807642465 /nfs/dbraw/zinc/64/24/65/807642465.db2.gz WMHZNODTKHFEGY-HNNXBMFYSA-N 0 3 294.395 0.907 20 10 CCCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)CN1CCOCC1 ZINC001251022104 807642468 /nfs/dbraw/zinc/64/24/68/807642468.db2.gz WMHZNODTKHFEGY-HNNXBMFYSA-N 0 3 294.395 0.907 20 10 CCCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CNCCN1C ZINC001263100882 809442739 /nfs/dbraw/zinc/44/27/39/809442739.db2.gz BEXAPJMUVVYWJD-HNNXBMFYSA-N 0 3 290.411 0.581 20 10 CCCDHN Nc1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1 ZINC001263304325 809506152 /nfs/dbraw/zinc/50/61/52/809506152.db2.gz YZGWQCXWRSNIMK-ZDUSSCGKSA-N 0 3 263.341 0.654 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001203620987 844437619 /nfs/dbraw/zinc/43/76/19/844437619.db2.gz LXZWTRHQSDVESB-LSDHHAIUSA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)c([O-])c1 ZINC001203620987 844437623 /nfs/dbraw/zinc/43/76/23/844437623.db2.gz LXZWTRHQSDVESB-LSDHHAIUSA-N 0 3 281.352 0.966 20 10 CCCDHN CO[C@@]1(C[NH2+]Cc2ccccc2[O-])CCS(=O)(=O)C1 ZINC000721185917 849617679 /nfs/dbraw/zinc/61/76/79/849617679.db2.gz JGRZZMTVYAHJII-CYBMUJFWSA-N 0 3 285.365 0.686 20 10 CCCDHN CC1(C)CN(Cc2ccccc2O)CCN1CC(N)=O ZINC001203555711 897742186 /nfs/dbraw/zinc/74/21/86/897742186.db2.gz DDOXWHUCPDOUHL-UHFFFAOYSA-N 0 3 277.368 0.774 20 10 CCCDHN COCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC001333643293 919064790 /nfs/dbraw/zinc/06/47/90/919064790.db2.gz NWOLKJXFIKEXIE-GXSJLCMTSA-N 0 3 252.314 0.933 20 10 CCCDHN CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2c([O-])cccc2F)C1 ZINC001358168131 926649425 /nfs/dbraw/zinc/64/94/25/926649425.db2.gz OIHUJWDKYKXSGN-LKFCYVNXSA-N 0 3 282.315 0.915 20 10 CCCDHN CN1CCC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000077450244 349110643 /nfs/dbraw/zinc/11/06/43/349110643.db2.gz QUTAPHWEBJADSB-UHFFFAOYSA-N 0 3 295.339 0.847 20 10 CCCDHN CN(Cc1ccccc1O)C(=O)[C@H]1CN2CCN1CCC2 ZINC000372359479 389449896 /nfs/dbraw/zinc/44/98/96/389449896.db2.gz LEBNNJRDRPVTKE-CQSZACIVSA-N 0 3 289.379 0.741 20 10 CCCDHN COCCN(C)CCNC(=O)c1ccc(C)c(O)c1O ZINC000177680371 389590396 /nfs/dbraw/zinc/59/03/96/389590396.db2.gz YNFDLYDSQFQONN-UHFFFAOYSA-N 0 3 282.340 0.714 20 10 CCCDHN C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccccc1[O-] ZINC000179875008 389664131 /nfs/dbraw/zinc/66/41/31/389664131.db2.gz CULYWFYYTGUWBR-SECBINFHSA-N 0 3 263.297 0.595 20 10 CCCDHN CCN(C)C(=O)CNCc1cccc(OC)c1O ZINC000185177536 327837296 /nfs/dbraw/zinc/83/72/96/327837296.db2.gz QRKBFBCBHXOPLN-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN CCOc1ccc(C[NH2+]C[C@H]2COCCN2)c([O-])c1 ZINC000530182724 328696228 /nfs/dbraw/zinc/69/62/28/328696228.db2.gz YQFQCPYJPKANHN-LBPRGKRZSA-N 0 3 266.341 0.869 20 10 CCCDHN COc1ccc(O)c(CNCC(=O)NC2CC2)c1 ZINC000036782247 524749878 /nfs/dbraw/zinc/74/98/78/524749878.db2.gz OOADLLONOUFMTH-UHFFFAOYSA-N 0 3 250.298 0.769 20 10 CCCDHN CN1CCN(c2ccc(CNC[C@@](C)(O)CO)cc2)CC1 ZINC000794748034 581386959 /nfs/dbraw/zinc/38/69/59/581386959.db2.gz GIDUUKCCTBWWTH-MRXNPFEDSA-N 0 3 293.411 0.271 20 10 CCCDHN C[C@@](O)(CO)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000794749105 581387062 /nfs/dbraw/zinc/38/70/62/581387062.db2.gz YLBQMUWJLIUETI-HNNXBMFYSA-N 0 3 298.358 0.495 20 10 CCCDHN Cc1cc(O)c(CN2CC[C@H](S(N)(=O)=O)C2)cc1C ZINC000785985053 581426425 /nfs/dbraw/zinc/42/64/25/581426425.db2.gz KFDWVTCZNLNCKW-LBPRGKRZSA-N 0 3 284.381 0.872 20 10 CCCDHN COc1cccc(CN2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC000769484167 581692277 /nfs/dbraw/zinc/69/22/77/581692277.db2.gz SNDJOGIXAHUTRP-OCCSQVGLSA-N 0 3 278.352 0.916 20 10 CCCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C(N)=O ZINC000775198753 582013838 /nfs/dbraw/zinc/01/38/38/582013838.db2.gz FNSZCVMYRJRQAI-GFCCVEGCSA-N 0 3 276.384 0.402 20 10 CCCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c([O-])c1 ZINC000776010024 582049284 /nfs/dbraw/zinc/04/92/84/582049284.db2.gz PCFMGQZMLDEOSA-RYUDHWBXSA-N 0 3 267.325 0.718 20 10 CCCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c([O-])c1 ZINC000776010024 582049286 /nfs/dbraw/zinc/04/92/86/582049286.db2.gz PCFMGQZMLDEOSA-RYUDHWBXSA-N 0 3 267.325 0.718 20 10 CCCDHN COc1cc(C)cc(CNC2(C(N)=O)CC2)c1O ZINC000894454736 617175455 /nfs/dbraw/zinc/17/54/55/617175455.db2.gz WBAWSKSKSDQIJB-UHFFFAOYSA-N 0 3 250.298 0.817 20 10 CCCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](CN)OC)C2)cc1 ZINC000884398157 617267878 /nfs/dbraw/zinc/26/78/78/617267878.db2.gz XDGZKVKNOXLZRF-RISCZKNCSA-N 0 3 293.367 0.364 20 10 CCCDHN COc1ccc(O)c(CN2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877748813 617272646 /nfs/dbraw/zinc/27/26/46/617272646.db2.gz BJKSABTZHGKBGZ-OLZOCXBDSA-N 0 3 253.298 0.328 20 10 CCCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764593 617305298 /nfs/dbraw/zinc/30/52/98/617305298.db2.gz JUZQOTGYZJTEJX-PHIMTYICSA-N 0 3 267.325 0.433 20 10 CCCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764593 617305300 /nfs/dbraw/zinc/30/53/00/617305300.db2.gz JUZQOTGYZJTEJX-PHIMTYICSA-N 0 3 267.325 0.433 20 10 CCCDHN CC(C)[C@H](N)C(=O)NCC(=O)NCCc1ccc(N)cc1 ZINC000843342856 614223763 /nfs/dbraw/zinc/22/37/63/614223763.db2.gz QOPDQMCFRNETSA-AWEZNQCLSA-N 0 3 292.383 0.027 20 10 CCCDHN CC1(C)CNC(=O)[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000895318118 614691783 /nfs/dbraw/zinc/69/17/83/614691783.db2.gz RTEXFVHVFBKGSJ-LBPRGKRZSA-N 0 3 278.308 0.735 20 10 CCCDHN CCN(C)c1ccc(CN2CCC(O)(C(N)=O)CC2)cc1 ZINC000829506877 614921398 /nfs/dbraw/zinc/92/13/98/614921398.db2.gz ZOJNHIRYFXNRPH-UHFFFAOYSA-N 0 3 291.395 0.955 20 10 CCCDHN CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000898359231 615240109 /nfs/dbraw/zinc/24/01/09/615240109.db2.gz NNJDPQOWZIGBFB-CHWSQXEVSA-N 0 3 294.351 0.931 20 10 CCCDHN CN(C)C[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O ZINC000924446504 615949550 /nfs/dbraw/zinc/94/95/50/615949550.db2.gz VPXRBLISLXYTGS-CYBMUJFWSA-N 0 3 290.367 0.735 20 10 CCCDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000841654084 616015211 /nfs/dbraw/zinc/01/52/11/616015211.db2.gz MRIGDUVZCYWNPO-AWEZNQCLSA-N 0 3 292.383 0.540 20 10 CCCDHN COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651751 616596168 /nfs/dbraw/zinc/59/61/68/616596168.db2.gz JPBFHTQPCONIOA-JTQLQIEISA-N 0 3 280.324 0.722 20 10 CCCDHN COCC[C@@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000884309876 616637866 /nfs/dbraw/zinc/63/78/66/616637866.db2.gz IAEJWSAEBIMWPT-BXKDBHETSA-N 0 3 282.340 0.942 20 10 CCCDHN C[C@H]([NH2+]CCCS(N)(=O)=O)c1ccccc1[O-] ZINC000045066873 624759221 /nfs/dbraw/zinc/75/92/21/624759221.db2.gz PZYQBJCXELHQDC-VIFPVBQESA-N 0 3 258.343 0.721 20 10 CCCDHN [O-]c1c(F)cc(F)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000895142258 631975551 /nfs/dbraw/zinc/97/55/51/631975551.db2.gz LYPQARQRXWATCO-GFCCVEGCSA-N 0 3 284.306 0.921 20 10 CCCDHN [O-]c1c(F)cc(F)cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000895142258 631975553 /nfs/dbraw/zinc/97/55/53/631975553.db2.gz LYPQARQRXWATCO-GFCCVEGCSA-N 0 3 284.306 0.921 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]CCN(C)CCOCCO ZINC000895663432 632123720 /nfs/dbraw/zinc/12/37/20/632123720.db2.gz XTUYVHPZEYZEHS-UHFFFAOYSA-N 0 3 282.384 0.731 20 10 CCCDHN Cc1ccc(C[NH2+]C[C@]2(CO)COCCN2C)c([O-])c1 ZINC000896460681 632253289 /nfs/dbraw/zinc/25/32/89/632253289.db2.gz QTLWHFWZLXQKMB-HNNXBMFYSA-N 0 3 280.368 0.483 20 10 CCCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1CS(N)(=O)=O ZINC000897609188 633213016 /nfs/dbraw/zinc/21/30/16/633213016.db2.gz FFCYPKJZWJYYFW-PWSUYJOCSA-N 0 3 284.381 0.749 20 10 CCCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1CS(N)(=O)=O ZINC000897609188 633213020 /nfs/dbraw/zinc/21/30/20/633213020.db2.gz FFCYPKJZWJYYFW-PWSUYJOCSA-N 0 3 284.381 0.749 20 10 CCCDHN COc1cc(O)c(CN2CC[C@@H](O)C2)cc1OC ZINC000179666451 638236695 /nfs/dbraw/zinc/23/66/95/638236695.db2.gz WHYQRBYORVZIGP-SNVBAGLBSA-N 0 3 253.298 0.976 20 10 CCCDHN C[C@H]([NH2+]CC(=O)N1CCNCC1)c1cc(F)cc(F)c1[O-] ZINC000817945712 641281316 /nfs/dbraw/zinc/28/13/16/641281316.db2.gz KDNOMPXQZKSJTE-VIFPVBQESA-N 0 3 299.321 0.753 20 10 CCCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000826942650 641969576 /nfs/dbraw/zinc/96/95/76/641969576.db2.gz RRQNFJWGKCKYMI-AWEZNQCLSA-N 0 3 285.315 0.789 20 10 CCCDHN Nc1ccc(CCNC(=O)C(N)C(F)(F)F)cc1 ZINC000841848092 642842598 /nfs/dbraw/zinc/84/25/98/642842598.db2.gz UVGGCWYVOWBNNF-VIFPVBQESA-N 0 3 261.247 0.817 20 10 CCCDHN Cc1ccc(O)c(CNC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000862758145 645034459 /nfs/dbraw/zinc/03/44/59/645034459.db2.gz QFTCBLWSVZZOJC-CQSZACIVSA-N 0 3 289.379 0.707 20 10 CCCDHN Cc1ccc(CN2CCN(C)C[C@@H]2CO)c(O)c1 ZINC000877644711 646831975 /nfs/dbraw/zinc/83/19/75/646831975.db2.gz QXLUKTCGVQKKSC-CYBMUJFWSA-N 0 3 250.342 0.809 20 10 CCCDHN Cc1ccc(C[NH2+]CCN2CC[C@H](O)C2)c([O-])c1 ZINC000877661851 646833486 /nfs/dbraw/zinc/83/34/86/646833486.db2.gz IUXPOQCSJNSEDH-ZDUSSCGKSA-N 0 3 250.342 0.857 20 10 CCCDHN C[C@H]([NH2+]CCN1C(=O)CN(C)C1=O)c1ccccc1[O-] ZINC000879650240 647089810 /nfs/dbraw/zinc/08/98/10/647089810.db2.gz RFCHJIANXHPMFV-JTQLQIEISA-N 0 3 277.324 0.937 20 10 CCCDHN COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c([O-])c1 ZINC001277454609 805599049 /nfs/dbraw/zinc/59/90/49/805599049.db2.gz WULODJVJDBQIIQ-QMTHXVAHSA-N 0 3 262.309 0.708 20 10 CCCDHN COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c([O-])c1 ZINC001277454609 805599039 /nfs/dbraw/zinc/59/90/39/805599039.db2.gz WULODJVJDBQIIQ-QMTHXVAHSA-N 0 3 262.309 0.708 20 10 CCCDHN Oc1cc(O)c(CN2CCN3CC[C@H]3C2)cc1O ZINC001233487850 806064004 /nfs/dbraw/zinc/06/40/04/806064004.db2.gz UWOAOJPHEBUIAQ-JTQLQIEISA-N 0 3 250.298 0.693 20 10 CCCDHN COC(=O)CO[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487512 806065074 /nfs/dbraw/zinc/06/50/74/806065074.db2.gz HADUZZANMXSVRO-JTQLQIEISA-N 0 3 297.307 0.567 20 10 CCCDHN [O-]c1c(F)cccc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234982806 806326121 /nfs/dbraw/zinc/32/61/21/806326121.db2.gz QOQWPWHUMUXOSP-CQSZACIVSA-N 0 3 265.332 0.669 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(F)ccc1O ZINC001236054438 806535460 /nfs/dbraw/zinc/53/54/60/806535460.db2.gz FSZOQDKYIQIZBQ-NSHDSACASA-N 0 3 268.288 0.478 20 10 CCCDHN COC(=O)[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1[NH3+] ZINC001236351469 806582374 /nfs/dbraw/zinc/58/23/74/806582374.db2.gz USFCNESUFPSJHG-ONGXEEELSA-N 0 3 284.743 0.978 20 10 CCCDHN CCc1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236783298 806608733 /nfs/dbraw/zinc/60/87/33/806608733.db2.gz JUSNSYDNNVXZCN-JSGCOSHPSA-N 0 3 251.326 0.740 20 10 CCCDHN CCc1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236783298 806608736 /nfs/dbraw/zinc/60/87/36/806608736.db2.gz JUSNSYDNNVXZCN-JSGCOSHPSA-N 0 3 251.326 0.740 20 10 CCCDHN C[C@]1(CO)CCN(Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156127 799984499 /nfs/dbraw/zinc/98/44/99/799984499.db2.gz FZRUFVSRKGLSHN-ZIAGYGMSSA-N 0 3 267.325 0.663 20 10 CCCDHN CO[C@@H]1CN(Cc2cc(O)ccc2O)C[C@@H]1OC ZINC001141156791 799985361 /nfs/dbraw/zinc/98/53/61/799985361.db2.gz VENAFNCLVVGEGN-BETUJISGSA-N 0 3 253.298 0.943 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001203620779 803036809 /nfs/dbraw/zinc/03/68/09/803036809.db2.gz IBURDXNCZVVKQF-BXUZGUMPSA-N 0 3 267.325 0.576 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c([O-])c1 ZINC001203620779 803036817 /nfs/dbraw/zinc/03/68/17/803036817.db2.gz IBURDXNCZVVKQF-BXUZGUMPSA-N 0 3 267.325 0.576 20 10 CCCDHN COc1cc(C)c(CN2CC(N3CC[C@@H](O)C3)C2)c(O)c1 ZINC001206544559 803265852 /nfs/dbraw/zinc/26/58/52/803265852.db2.gz LULJOPZBRYDOGM-CYBMUJFWSA-N 0 3 292.379 0.960 20 10 CCCDHN CCOC(=O)[C@@H]1CNCCN1Cc1cc(OC)ccc1O ZINC000088657960 803484929 /nfs/dbraw/zinc/48/49/29/803484929.db2.gz PRHZGDQWUYSCJA-ZDUSSCGKSA-N 0 3 294.351 0.738 20 10 CCCDHN COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H]1[NH3+] ZINC001236345844 817272092 /nfs/dbraw/zinc/27/20/92/817272092.db2.gz VEOONOSMONMNLV-MNOVXSKESA-N 0 3 284.743 0.978 20 10 CCCDHN Oc1cc(O)c(CN2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001144504338 840069071 /nfs/dbraw/zinc/06/90/71/840069071.db2.gz PYVZUSFXQVGWRH-AWEZNQCLSA-N 0 3 281.308 0.795 20 10 CCCDHN C[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148590052 840856738 /nfs/dbraw/zinc/85/67/38/840856738.db2.gz AEVCKKKICYJKKU-QMMMGPOBSA-N 0 3 266.297 0.485 20 10 CCCDHN C[N@H+]1CC[C@@H](CNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148590052 840856747 /nfs/dbraw/zinc/85/67/47/840856747.db2.gz AEVCKKKICYJKKU-QMMMGPOBSA-N 0 3 266.297 0.485 20 10 CCCDHN O=C(CO[C@H]1CCC[NH2+]C1)NCc1c([O-])cccc1F ZINC001341769409 922665507 /nfs/dbraw/zinc/66/55/07/922665507.db2.gz XVZWZJIZEZBBCZ-JTQLQIEISA-N 0 3 282.315 0.916 20 10 CCCDHN C[N@H+](CCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000111236223 349768010 /nfs/dbraw/zinc/76/80/10/349768010.db2.gz VTVBWCBEWODUKZ-UHFFFAOYSA-N 0 3 263.297 0.376 20 10 CCCDHN C[N@@H+](CCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000111236223 349768013 /nfs/dbraw/zinc/76/80/13/349768013.db2.gz VTVBWCBEWODUKZ-UHFFFAOYSA-N 0 3 263.297 0.376 20 10 CCCDHN Cc1cccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1[O-] ZINC000271744211 353034096 /nfs/dbraw/zinc/03/40/96/353034096.db2.gz ANSCGPQECLVQAL-OAHLLOKOSA-N 0 3 294.395 0.826 20 10 CCCDHN Cc1cccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1[O-] ZINC000271744211 353034097 /nfs/dbraw/zinc/03/40/97/353034097.db2.gz ANSCGPQECLVQAL-OAHLLOKOSA-N 0 3 294.395 0.826 20 10 CCCDHN O=C1C[C@]2(CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)CN1 ZINC000278611291 353302513 /nfs/dbraw/zinc/30/25/13/353302513.db2.gz DLAQGHWCIBOXDO-OAHLLOKOSA-N 0 3 290.319 0.833 20 10 CCCDHN O=C1C[C@]2(CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)CN1 ZINC000278611291 353302516 /nfs/dbraw/zinc/30/25/16/353302516.db2.gz DLAQGHWCIBOXDO-OAHLLOKOSA-N 0 3 290.319 0.833 20 10 CCCDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000193673676 389077423 /nfs/dbraw/zinc/07/74/23/389077423.db2.gz UIXPMMNJZGAJAW-AMIZOPFISA-N 0 3 278.308 0.735 20 10 CCCDHN COc1cccc(C[NH2+]CCC(=O)N2CCOCC2)c1[O-] ZINC000134492935 389246449 /nfs/dbraw/zinc/24/64/49/389246449.db2.gz GCPWEJISRYLPDI-UHFFFAOYSA-N 0 3 294.351 0.739 20 10 CCCDHN CCCN(CC(=O)NCC(=O)OC)Cc1ccccc1O ZINC000174372530 389520164 /nfs/dbraw/zinc/52/01/64/389520164.db2.gz BTBYHAQZOSHHHR-UHFFFAOYSA-N 0 3 294.351 0.893 20 10 CCCDHN COCCN1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000269256498 328190271 /nfs/dbraw/zinc/19/02/71/328190271.db2.gz KHRVXJIIZKTHRV-CQSZACIVSA-N 0 3 277.368 0.648 20 10 CCCDHN Cc1ccc(C(=O)NCCOCC[NH+](C)C)c([O-])c1O ZINC000781018032 581256556 /nfs/dbraw/zinc/25/65/56/581256556.db2.gz OSWBMMWECNTOKW-UHFFFAOYSA-N 0 3 282.340 0.714 20 10 CCCDHN CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000775135903 582012212 /nfs/dbraw/zinc/01/22/12/582012212.db2.gz JDETTXHAUUCZPA-SNVBAGLBSA-N 0 3 272.370 0.982 20 10 CCCDHN COc1cc([O-])c(C[NH2+][C@H](C)CC(N)=O)cc1OC ZINC000776251309 582065402 /nfs/dbraw/zinc/06/54/02/582065402.db2.gz WGVPXTRDEGHXFP-MRVPVSSYSA-N 0 3 268.313 0.763 20 10 CCCDHN COc1cc(C)cc(CN2C[C@@H](O)[C@H](OC)C2)c1O ZINC000894913779 617175478 /nfs/dbraw/zinc/17/54/78/617175478.db2.gz KDCVUNZHJUOSMW-DGCLKSJQSA-N 0 3 267.325 0.901 20 10 CCCDHN COc1ccc(O)c([C@@H](C)Nc2nc(N)nc(N)n2)c1 ZINC000858391486 617273988 /nfs/dbraw/zinc/27/39/88/617273988.db2.gz JDCIUIWTCNTGJZ-ZCFIWIBFSA-N 0 3 276.300 0.923 20 10 CCCDHN CCOc1cccc(CNCC(=O)NCC(=O)OC)c1O ZINC000877705953 615516782 /nfs/dbraw/zinc/51/67/82/615516782.db2.gz BOGIRBYSDWDXBP-UHFFFAOYSA-N 0 3 296.323 0.170 20 10 CCCDHN CN(C)CCCS(=O)(=O)NCc1ccc(O)cc1O ZINC000867416910 615886059 /nfs/dbraw/zinc/88/60/59/615886059.db2.gz JGUVUWDUCKDQFI-UHFFFAOYSA-N 0 3 288.369 0.469 20 10 CCCDHN CN(C)c1ccc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1F ZINC000824892938 616014381 /nfs/dbraw/zinc/01/43/81/616014381.db2.gz GNXAOVXOXMVKOF-PHIMTYICSA-N 0 3 291.326 0.596 20 10 CCCDHN COC(=O)CCNC(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000858292443 616560329 /nfs/dbraw/zinc/56/03/29/616560329.db2.gz IKGMPMOELNWPOK-UHFFFAOYSA-N 0 3 280.324 0.551 20 10 CCCDHN COC[C@H]1C[C@@H](O)CN1Cc1ccc(OC)c(OC)c1O ZINC000895151873 616813668 /nfs/dbraw/zinc/81/36/68/616813668.db2.gz JAEVSLOTPYNYOG-VXGBXAGGSA-N 0 3 297.351 0.991 20 10 CCCDHN Cc1cc(O)c(CN(C)CC(=O)N2CCNCC2)cc1C ZINC000843047639 642980631 /nfs/dbraw/zinc/98/06/31/642980631.db2.gz ZDPXEXSUSFNLBQ-UHFFFAOYSA-N 0 3 291.395 0.873 20 10 CCCDHN O=S(=O)(NCc1c([O-])cccc1F)[C@@H]1CCC[NH2+]C1 ZINC000923676518 646940058 /nfs/dbraw/zinc/94/00/58/646940058.db2.gz JBBZQDWEKJQMJJ-SECBINFHSA-N 0 3 288.344 0.703 20 10 CCCDHN NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441784 805579164 /nfs/dbraw/zinc/57/91/64/805579164.db2.gz OYSZCSYKNHIYTC-BZPMIXESSA-N 0 3 276.336 0.857 20 10 CCCDHN NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441784 805579171 /nfs/dbraw/zinc/57/91/71/805579171.db2.gz OYSZCSYKNHIYTC-BZPMIXESSA-N 0 3 276.336 0.857 20 10 CCCDHN CN(CCN1CCOCC1)Cc1cc(O)c(O)cc1O ZINC001233482633 806059635 /nfs/dbraw/zinc/05/96/35/806059635.db2.gz VXLFSSXUVRXDOV-UHFFFAOYSA-N 0 3 282.340 0.567 20 10 CCCDHN CCOc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001237050968 806635053 /nfs/dbraw/zinc/63/50/53/806635053.db2.gz ZFVNPHKKGKQFHU-DOMZBBRYSA-N 0 3 281.352 0.966 20 10 CCCDHN CCOc1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c([O-])c1 ZINC001237050968 806635058 /nfs/dbraw/zinc/63/50/58/806635058.db2.gz ZFVNPHKKGKQFHU-DOMZBBRYSA-N 0 3 281.352 0.966 20 10 CCCDHN C[C@H](NC(=O)[C@@H]1CNCCN1C)c1ccccc1O ZINC001122192797 799166275 /nfs/dbraw/zinc/16/62/75/799166275.db2.gz XEVYMAKUXSNAOW-JQWIXIFHSA-N 0 3 263.341 0.473 20 10 CCCDHN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001237934725 806736290 /nfs/dbraw/zinc/73/62/90/806736290.db2.gz NJOKMOVUMGAEMZ-PRHODGIISA-N 0 3 275.707 0.970 20 10 CCCDHN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001237934725 806736295 /nfs/dbraw/zinc/73/62/95/806736295.db2.gz NJOKMOVUMGAEMZ-PRHODGIISA-N 0 3 275.707 0.970 20 10 CCCDHN NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2O1 ZINC001278255184 806791994 /nfs/dbraw/zinc/79/19/94/806791994.db2.gz NTXPVOSOWJKPIW-QKCSRTOESA-N 0 3 294.326 0.996 20 10 CCCDHN NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2O1 ZINC001278255184 806791998 /nfs/dbraw/zinc/79/19/98/806791998.db2.gz NTXPVOSOWJKPIW-QKCSRTOESA-N 0 3 294.326 0.996 20 10 CCCDHN CN(C)C[C@H]1COCCN1C(=O)Cc1ccc(N)cc1 ZINC001160838425 802027083 /nfs/dbraw/zinc/02/70/83/802027083.db2.gz ISLSXWKJFJKPTP-AWEZNQCLSA-N 0 3 277.368 0.600 20 10 CCCDHN COc1cccc(CN2CC(C(=O)N(C)C)C2)c1O ZINC001203595771 803035774 /nfs/dbraw/zinc/03/57/74/803035774.db2.gz KVLAIYIFKDFVHC-UHFFFAOYSA-N 0 3 264.325 0.921 20 10 CCCDHN COc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc(O)c1O ZINC001276499504 803315494 /nfs/dbraw/zinc/31/54/94/803315494.db2.gz HECCXKLQJCBDGV-GXSJLCMTSA-N 0 3 292.335 0.883 20 10 CCCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001249171705 807546316 /nfs/dbraw/zinc/54/63/16/807546316.db2.gz DTRBDEJKGLZTTB-GFCCVEGCSA-N 0 3 265.309 0.674 20 10 CCCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001249171705 807546318 /nfs/dbraw/zinc/54/63/18/807546318.db2.gz DTRBDEJKGLZTTB-GFCCVEGCSA-N 0 3 265.309 0.674 20 10 CCCDHN CC[C@H](NCc1cc2c(cc1O)OCO2)C(=O)NC ZINC000697905250 815192300 /nfs/dbraw/zinc/19/23/00/815192300.db2.gz SJSOLOAWRMHENH-VIFPVBQESA-N 0 3 266.297 0.735 20 10 CCCDHN C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000711685432 820069880 /nfs/dbraw/zinc/06/98/80/820069880.db2.gz ZKPGTZIAJPZOLS-KOLCDFICSA-N 0 3 255.339 0.915 20 10 CCCDHN COC[C@]1(C(=O)NCc2c([O-])cccc2F)CC[NH2+]C1 ZINC001341767772 922666168 /nfs/dbraw/zinc/66/61/68/922666168.db2.gz SEJDVUCAKGNPIB-AWEZNQCLSA-N 0 3 282.315 0.774 20 10 CCCDHN COC[C@@H](CCO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224844035 389145122 /nfs/dbraw/zinc/14/51/22/389145122.db2.gz KMHLWQJOZBGARQ-LLVKDONJSA-N 0 3 255.314 0.888 20 10 CCCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2COCCN2)c1 ZINC000530181952 328695983 /nfs/dbraw/zinc/69/59/83/328695983.db2.gz QVCUXNVIPUUESZ-NSHDSACASA-N 0 3 252.314 0.479 20 10 CCCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1N ZINC000424153787 330301078 /nfs/dbraw/zinc/30/10/78/330301078.db2.gz LOVDGDCBHHEVPX-MNOVXSKESA-N 0 3 261.325 0.825 20 10 CCCDHN C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227980055 333292100 /nfs/dbraw/zinc/29/21/00/333292100.db2.gz DXXWPQYVFDUJOI-YMTOWFKASA-N 0 3 281.308 0.750 20 10 CCCDHN COCCCN(C)CCNC(=O)Cc1ccc(N)cc1 ZINC000237189774 523217875 /nfs/dbraw/zinc/21/78/75/523217875.db2.gz ZNGTUGVHRWEBIS-UHFFFAOYSA-N 0 3 279.384 0.896 20 10 CCCDHN O=C(CC[NH2+]Cc1cc(F)ccc1[O-])N1CCOCC1 ZINC000226585632 526512330 /nfs/dbraw/zinc/51/23/30/526512330.db2.gz VPXQPIOSVNIXFF-UHFFFAOYSA-N 0 3 282.315 0.870 20 10 CCCDHN Cn1ncc(CCC[NH2+]Cc2cc3c(cc2[O-])OCO3)n1 ZINC000292914321 527568051 /nfs/dbraw/zinc/56/80/51/527568051.db2.gz HQOGWBGEMCBQEI-UHFFFAOYSA-N 0 3 290.323 0.972 20 10 CCCDHN COc1ccc(CNC(=O)C[C@@H]2CNCCO2)c(O)c1 ZINC000832178868 617253855 /nfs/dbraw/zinc/25/38/55/617253855.db2.gz YNHSCXDYTIDWQM-GFCCVEGCSA-N 0 3 280.324 0.396 20 10 CCCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)[C@@H](C)O)cc1 ZINC000930847689 617267145 /nfs/dbraw/zinc/26/71/45/617267145.db2.gz BPLAZKOZJLURBI-IUODEOHRSA-N 0 3 282.384 0.805 20 10 CCCDHN CCOc1ccc(C[NH2+]C[C@@H]2CNCCO2)c([O-])c1 ZINC000841099261 615511292 /nfs/dbraw/zinc/51/12/92/615511292.db2.gz NWCOIIAOKIBRNK-ZDUSSCGKSA-N 0 3 266.341 0.869 20 10 CCCDHN C[NH+](C)CC1(O)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000913678452 615872710 /nfs/dbraw/zinc/87/27/10/615872710.db2.gz IZIKUHGFWIFTGK-UHFFFAOYSA-N 0 3 294.351 0.627 20 10 CCCDHN CN(C)C[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000876741815 615942133 /nfs/dbraw/zinc/94/21/33/615942133.db2.gz SZJSFIIMSGHJOB-LBPRGKRZSA-N 0 3 282.363 0.397 20 10 CCCDHN CN1CCCc2cc(CNS(=O)(=O)C3CNC3)ccc21 ZINC000923602407 616219927 /nfs/dbraw/zinc/21/99/27/616219927.db2.gz OPZCKIVMMLSTJR-UHFFFAOYSA-N 0 3 295.408 0.460 20 10 CCCDHN CN1CCN(CCCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000040808808 616240850 /nfs/dbraw/zinc/24/08/50/616240850.db2.gz JLOGMECQHUSPIB-UHFFFAOYSA-N 0 3 290.411 0.565 20 10 CCCDHN COCCOCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000808237399 616540612 /nfs/dbraw/zinc/54/06/12/616540612.db2.gz OPHLDAUPMAOFCZ-CQSZACIVSA-N 0 3 297.351 0.913 20 10 CCCDHN COCCOCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000808237399 616540613 /nfs/dbraw/zinc/54/06/13/616540613.db2.gz OPHLDAUPMAOFCZ-CQSZACIVSA-N 0 3 297.351 0.913 20 10 CCCDHN CNC(=O)C1([NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000895884673 616550754 /nfs/dbraw/zinc/55/07/54/616550754.db2.gz MRQDTMVOHNBVHS-UHFFFAOYSA-N 0 3 282.315 0.916 20 10 CCCDHN COc1ccc(O)c(CN(C)CCNC(C)=O)c1 ZINC000308315618 624866257 /nfs/dbraw/zinc/86/62/57/624866257.db2.gz VFHVEWATJVRPTE-UHFFFAOYSA-N 0 3 252.314 0.969 20 10 CCCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCNC2=O)c1 ZINC000182451122 638482508 /nfs/dbraw/zinc/48/25/08/638482508.db2.gz OSMQFSGKRCLBCI-KWQFWETISA-N 0 3 250.298 0.940 20 10 CCCDHN COc1cccc(O)c1CNCCS(=O)(=O)N(C)C ZINC000810181438 640927538 /nfs/dbraw/zinc/92/75/38/640927538.db2.gz MAZJBGWVRKDCNC-UHFFFAOYSA-N 0 3 288.369 0.382 20 10 CCCDHN O=C(NCc1ccccc1O)c1[nH]nc2c1CNCC2 ZINC000828015979 642058888 /nfs/dbraw/zinc/05/88/88/642058888.db2.gz PVWWKDVQOZZKDI-UHFFFAOYSA-N 0 3 272.308 0.691 20 10 CCCDHN CN(Cc1cccc(Br)c1[O-])C[C@H](O)C[NH3+] ZINC000841094646 642803625 /nfs/dbraw/zinc/80/36/25/642803625.db2.gz ZWQPZYSUWMNOEJ-SECBINFHSA-N 0 3 289.173 0.906 20 10 CCCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000877592032 646826638 /nfs/dbraw/zinc/82/66/38/646826638.db2.gz KJXKWECVNYAXDA-WCQYABFASA-N 0 3 251.326 0.876 20 10 CCCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000877592032 646826641 /nfs/dbraw/zinc/82/66/41/646826641.db2.gz KJXKWECVNYAXDA-WCQYABFASA-N 0 3 251.326 0.876 20 10 CCCDHN C[C@@H](NS(=O)(=O)N1CCNCC1)c1ccccc1O ZINC000923668182 646876154 /nfs/dbraw/zinc/87/61/54/646876154.db2.gz DIKIIYZMPWPJGP-SNVBAGLBSA-N 0 3 285.369 0.193 20 10 CCCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236808090 806612770 /nfs/dbraw/zinc/61/27/70/806612770.db2.gz MEMWSMGLDLIXMP-FZMZJTMJSA-N 0 3 281.352 0.884 20 10 CCCDHN COc1cc(C)c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001236808090 806612772 /nfs/dbraw/zinc/61/27/72/806612772.db2.gz MEMWSMGLDLIXMP-FZMZJTMJSA-N 0 3 281.352 0.884 20 10 CCCDHN CC(=O)c1cc(NS(=O)(=O)CCN)ccc1O ZINC001237676660 806708545 /nfs/dbraw/zinc/70/85/45/806708545.db2.gz PPBZUUPDQBTYRR-UHFFFAOYSA-N 0 3 258.299 0.295 20 10 CCCDHN CN1CCN(c2ccc(CN3CC(O)C3)cc2)CC1 ZINC001139404661 799808996 /nfs/dbraw/zinc/80/89/96/799808996.db2.gz UKUAUVOSBQZJBX-UHFFFAOYSA-N 0 3 261.369 0.615 20 10 CCCDHN OC[C@@H]1CN(Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141156569 799984534 /nfs/dbraw/zinc/98/45/34/799984534.db2.gz NNFQKGSOOFFWJX-GXFFZTMASA-N 0 3 253.298 0.273 20 10 CCCDHN COC(=O)C1(O)CCN(Cc2ccccc2O)CC1 ZINC001203561295 803034335 /nfs/dbraw/zinc/03/43/35/803034335.db2.gz PTSJMVZYTJVSIZ-UHFFFAOYSA-N 0 3 265.309 0.892 20 10 CCCDHN COc1cc(CN2CCO[C@H](CN(C)C)C2)cc(O)c1O ZINC001204342756 803079497 /nfs/dbraw/zinc/07/94/97/803079497.db2.gz MPTNOKOJAAYRKT-GFCCVEGCSA-N 0 3 296.367 0.869 20 10 CCCDHN CN1CC[C@](O)(C[NH2+]Cc2cc(F)c(F)cc2[O-])C1 ZINC001205237958 803129497 /nfs/dbraw/zinc/12/94/97/803129497.db2.gz OSBPZFSHHSGDTP-ZDUSSCGKSA-N 0 3 272.295 0.827 20 10 CCCDHN O=S1(=O)CC[C@](O)(C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC001205831423 803176100 /nfs/dbraw/zinc/17/61/00/803176100.db2.gz IPJVCYNJYDVUQE-LBPRGKRZSA-N 0 3 289.328 0.171 20 10 CCCDHN [NH3+]C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1O ZINC001206468473 803248021 /nfs/dbraw/zinc/24/80/21/803248021.db2.gz ISQXOHLVKNGVFC-QPUJVOFHSA-N 0 3 256.733 0.797 20 10 CCCDHN [NH3+]C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC001206525160 803259901 /nfs/dbraw/zinc/25/99/01/803259901.db2.gz ISQXOHLVKNGVFC-UFBFGSQYSA-N 0 3 256.733 0.797 20 10 CCCDHN C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001219656923 804395849 /nfs/dbraw/zinc/39/58/49/804395849.db2.gz FHGOFYNZTHGZMB-IUCAKERBSA-N 0 3 280.324 0.779 20 10 CCCDHN COC(=O)Cc1ccc(CN2CC3(COC3)C2)c(O)c1 ZINC001249171617 807546370 /nfs/dbraw/zinc/54/63/70/807546370.db2.gz DMZYCKMTBAUQTN-UHFFFAOYSA-N 0 3 277.320 0.940 20 10 CCCDHN O=C1NCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000693864862 811167576 /nfs/dbraw/zinc/16/75/76/811167576.db2.gz WYZBUNFPRPUYEU-AWEZNQCLSA-N 0 3 275.352 0.501 20 10 CCCDHN COc1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@H]2C)c1 ZINC000711655282 813460994 /nfs/dbraw/zinc/46/09/94/813460994.db2.gz OOLKYPBWKMNBCD-SKDRFNHKSA-N 0 3 285.365 0.924 20 10 CCCDHN COc1cc(CN2C[C@@H](F)[C@@H](N)C2)cc(O)c1O ZINC001204818991 814733325 /nfs/dbraw/zinc/73/33/25/814733325.db2.gz AWJKFMJBHMVBHM-BDAKNGLRSA-N 0 3 256.277 0.587 20 10 CCCDHN COCC[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC001330865989 916934425 /nfs/dbraw/zinc/93/44/25/916934425.db2.gz FSZGTVIQVCDNTP-GFCCVEGCSA-N 0 3 251.330 0.291 20 10 CCCDHN COc1cc(O)c(CN[C@@]2(C)CCNC2=O)cc1OC ZINC001333825841 919192317 /nfs/dbraw/zinc/19/23/17/919192317.db2.gz IVXWMXGTHPLQAI-AWEZNQCLSA-N 0 3 280.324 0.778 20 10 CCCDHN COCCN(C)CCNC(=O)NCc1ccc(N)cc1 ZINC001335457063 920208064 /nfs/dbraw/zinc/20/80/64/920208064.db2.gz IXMJCMGSTUGCAZ-UHFFFAOYSA-N 0 3 280.372 0.646 20 10 CCCDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CNCCN2C)c1 ZINC001341827226 922691242 /nfs/dbraw/zinc/69/12/42/922691242.db2.gz VVFFIDXVBURRAP-GWCFXTLKSA-N 0 3 293.367 0.482 20 10 CCCDHN O=C(C[NH2+]C[C@@H]1CCCO1)NCc1c([O-])cccc1F ZINC001342535291 922992494 /nfs/dbraw/zinc/99/24/94/922992494.db2.gz GRZCZXXJJRSZJN-JTQLQIEISA-N 0 3 282.315 0.916 20 10 CCCDHN COc1cccc(C[N@@H+]2CCCNC[C@H]2C(=O)[O-])c1O ZINC001599674093 994866111 /nfs/dbraw/zinc/86/61/11/994866111.db2.gz ZXOZEWJGCUIZHR-NSHDSACASA-N 0 3 280.324 0.649 20 10 CCCDHN COc1cccc(C[N@H+]2CCCNC[C@H]2C(=O)[O-])c1O ZINC001599674093 994866118 /nfs/dbraw/zinc/86/61/18/994866118.db2.gz ZXOZEWJGCUIZHR-NSHDSACASA-N 0 3 280.324 0.649 20 10 CCCDHN CCNC(=O)[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000042879806 348300224 /nfs/dbraw/zinc/30/02/24/348300224.db2.gz CNXHSHSYOITKQT-MRVPVSSYSA-N 0 3 266.297 0.735 20 10 CCCDHN COCC[N@H+](C)CCCNC(=O)c1cccc(O)c1[O-] ZINC000192985515 351806597 /nfs/dbraw/zinc/80/65/97/351806597.db2.gz AIJMEODEBKWNMS-UHFFFAOYSA-N 0 3 282.340 0.796 20 10 CCCDHN COCC[N@@H+](C)CCCNC(=O)c1cccc(O)c1[O-] ZINC000192985515 351806600 /nfs/dbraw/zinc/80/66/00/351806600.db2.gz AIJMEODEBKWNMS-UHFFFAOYSA-N 0 3 282.340 0.796 20 10 CCCDHN COC[C@H](O)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000282832338 353455247 /nfs/dbraw/zinc/45/52/47/353455247.db2.gz BUCIRQLVXQNFNM-SNVBAGLBSA-N 0 3 271.313 0.506 20 10 CCCDHN COCC[C@@H](CO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000281393480 389615195 /nfs/dbraw/zinc/61/51/95/389615195.db2.gz XARLNPJTIGFREO-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN CS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000179577644 389660369 /nfs/dbraw/zinc/66/03/69/389660369.db2.gz UIGFVGNELOJENW-LLVKDONJSA-N 0 3 270.354 0.516 20 10 CCCDHN COc1cccc(C[NH2+]C[C@@H]2COCCO2)c1[O-] ZINC000038060386 174070908 /nfs/dbraw/zinc/07/09/08/174070908.db2.gz RZDBOSRKUKYMKK-LLVKDONJSA-N 0 3 253.298 0.906 20 10 CCCDHN CCOc1cccc(C[NH2+]C[C@H](O)COC)c1[O-] ZINC000071269758 521365650 /nfs/dbraw/zinc/36/56/50/521365650.db2.gz GWULCHRPJYQPFH-NSHDSACASA-N 0 3 255.314 0.888 20 10 CCCDHN COc1cccc(CN[C@H]2COC[C@@H]2OC)c1O ZINC000289801901 526038843 /nfs/dbraw/zinc/03/88/43/526038843.db2.gz MHUBQXYRCPBHJP-JQWIXIFHSA-N 0 3 253.298 0.904 20 10 CCCDHN COc1cccc(CN2CCC(O)(CO)CC2)c1O ZINC000827147434 617297391 /nfs/dbraw/zinc/29/73/91/617297391.db2.gz RMRCXWDGPNUCKZ-UHFFFAOYSA-N 0 3 267.325 0.720 20 10 CCCDHN CCNC(=O)CNCc1ccc(OC)c(OC)c1O ZINC000893320543 615050443 /nfs/dbraw/zinc/05/04/43/615050443.db2.gz OJSPVLPCSZRVGS-UHFFFAOYSA-N 0 3 268.313 0.635 20 10 CCCDHN CCOc1ccc(CN2CCN(C)C[C@H]2CO)c(O)c1 ZINC000877644770 615510649 /nfs/dbraw/zinc/51/06/49/615510649.db2.gz SYFOUHKWNBBEOJ-ZDUSSCGKSA-N 0 3 280.368 0.899 20 10 CCCDHN CN(C)C[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000876779219 615940320 /nfs/dbraw/zinc/94/03/20/615940320.db2.gz XTSMTEXNHATRAN-LBPRGKRZSA-N 0 3 292.383 0.367 20 10 CCCDHN CN(C)c1ccc([C@H](CNC(=O)CC(N)=O)N(C)C)cc1 ZINC000891252699 616019399 /nfs/dbraw/zinc/01/93/99/616019399.db2.gz MRCIRWORMPTDFG-ZDUSSCGKSA-N 0 3 292.383 0.347 20 10 CCCDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1COC[C@H]1O ZINC000931745289 616167253 /nfs/dbraw/zinc/16/72/53/616167253.db2.gz KJMCHKOZKNZLIW-HZPDHXFCSA-N 0 3 292.379 0.715 20 10 CCCDHN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN ZINC000843489270 616590925 /nfs/dbraw/zinc/59/09/25/616590925.db2.gz LKZYANOTSQMVCX-UHFFFAOYSA-N 0 3 286.715 0.506 20 10 CCCDHN COC(=O)CNC(=O)[C@@H]1CCCN1Cc1ccccc1O ZINC000841892118 616603837 /nfs/dbraw/zinc/60/38/37/616603837.db2.gz FDUJBVQGMHNCER-LBPRGKRZSA-N 0 3 292.335 0.646 20 10 CCCDHN CN1C(=O)CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC000234335791 624875672 /nfs/dbraw/zinc/87/56/72/624875672.db2.gz UFCBZNIAAYBUHL-SNVBAGLBSA-N 0 3 266.272 0.768 20 10 CCCDHN CO[C@@H](CN)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000227362822 637021234 /nfs/dbraw/zinc/02/12/34/637021234.db2.gz DLQGNJGXBLUESD-ZDUSSCGKSA-N 0 3 265.357 0.685 20 10 CCCDHN C[C@@H](NC(=O)CN)c1ccc(N2CCOCC2)cc1 ZINC000237590032 638227583 /nfs/dbraw/zinc/22/75/83/638227583.db2.gz OLRKBXJTVVBAAQ-LLVKDONJSA-N 0 3 263.341 0.659 20 10 CCCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000846046318 643375260 /nfs/dbraw/zinc/37/52/60/643375260.db2.gz FKDRGTOAUOKJFH-DTORHVGOSA-N 0 3 250.298 0.754 20 10 CCCDHN C[C@@H](O)[C@H](O)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000865739889 645410644 /nfs/dbraw/zinc/41/06/44/645410644.db2.gz XIDWNSYGTYCBNC-IAQYHMDHSA-N 0 3 298.358 0.494 20 10 CCCDHN Cc1cccc(O)c1CN1CC[C@@H](S(N)(=O)=O)C1 ZINC000877466109 646818606 /nfs/dbraw/zinc/81/86/06/646818606.db2.gz XSRTUMBATBHGES-SNVBAGLBSA-N 0 3 270.354 0.563 20 10 CCCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000877625447 646829189 /nfs/dbraw/zinc/82/91/89/646829189.db2.gz YSWDFGGHYQMSLX-HNNXBMFYSA-N 0 3 281.352 0.958 20 10 CCCDHN CN1C(=O)CC[C@H](NCc2ccc3c(c2)CCO3)C1=O ZINC000090024667 649666636 /nfs/dbraw/zinc/66/66/36/649666636.db2.gz KYZKPJGKALLIDQ-LBPRGKRZSA-N 0 3 274.320 0.859 20 10 CCCDHN NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441786 805578247 /nfs/dbraw/zinc/57/82/47/805578247.db2.gz OYSZCSYKNHIYTC-DYEKYZERSA-N 0 3 276.336 0.857 20 10 CCCDHN NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441786 805578253 /nfs/dbraw/zinc/57/82/53/805578253.db2.gz OYSZCSYKNHIYTC-DYEKYZERSA-N 0 3 276.336 0.857 20 10 CCCDHN COc1cc(CN2CC[C@H](CO)[C@@H](O)C2)c(O)cc1O ZINC001231634316 805823484 /nfs/dbraw/zinc/82/34/84/805823484.db2.gz LEOBKWXHOPKGEH-RNCFNFMXSA-N 0 3 283.324 0.282 20 10 CCCDHN COc1cc(N(C)C)ccc1CN1C[C@H](O)[C@@H](CO)C1 ZINC001231849722 805863027 /nfs/dbraw/zinc/86/30/27/805863027.db2.gz XJDOGONFORBAID-OCCSQVGLSA-N 0 3 280.368 0.546 20 10 CCCDHN CN(C)c1ccc(CN2CCNC(=O)CC2)c(O)c1 ZINC001232834103 805986328 /nfs/dbraw/zinc/98/63/28/805986328.db2.gz GNFNOAUOJAZFSC-UHFFFAOYSA-N 0 3 263.341 0.780 20 10 CCCDHN COC(=O)[C@@H]1CNCCN1Cc1ccccc1O ZINC001236052774 806536437 /nfs/dbraw/zinc/53/64/37/806536437.db2.gz HFKXENBOWPRMQX-NSHDSACASA-N 0 3 250.298 0.339 20 10 CCCDHN CN1CCOc2cc(CN3C[C@@H](O)[C@H](CO)C3)ccc21 ZINC001141139820 799982849 /nfs/dbraw/zinc/98/28/49/799982849.db2.gz CPHBFCWZWXKQPR-GXTWGEPZSA-N 0 3 278.352 0.300 20 10 CCCDHN C[C@@]1(CO)CN(Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141155893 799985479 /nfs/dbraw/zinc/98/54/79/799985479.db2.gz AFOIXXRTTRKKDF-KGLIPLIRSA-N 0 3 267.325 0.663 20 10 CCCDHN C[S@@](=O)CC[C@H](N)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872673 802036687 /nfs/dbraw/zinc/03/66/87/802036687.db2.gz OVBQWHHTVAKHFM-FKIZINRSSA-N 0 3 296.392 0.373 20 10 CCCDHN COc1cccc(CN2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001203589049 803036252 /nfs/dbraw/zinc/03/62/52/803036252.db2.gz BXJMKOBQSVIALC-ZFWWWQNUSA-N 0 3 281.352 0.966 20 10 CCCDHN COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CN1 ZINC001246237728 807195324 /nfs/dbraw/zinc/19/53/24/807195324.db2.gz BWUIHTNNEFYKAX-NHCYSSNCSA-N 0 3 264.325 0.946 20 10 CCCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001249201185 807546280 /nfs/dbraw/zinc/54/62/80/807546280.db2.gz JLISEAOVCQOHPI-GFCCVEGCSA-N 0 3 292.335 0.415 20 10 CCCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001249201185 807546282 /nfs/dbraw/zinc/54/62/82/807546282.db2.gz JLISEAOVCQOHPI-GFCCVEGCSA-N 0 3 292.335 0.415 20 10 CCCDHN C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccccc1[O-] ZINC001251036292 807650589 /nfs/dbraw/zinc/65/05/89/807650589.db2.gz FGXSCYCHPGGTHY-OLZOCXBDSA-N 0 3 280.368 0.736 20 10 CCCDHN Nc1ccc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC001262487771 809318726 /nfs/dbraw/zinc/31/87/26/809318726.db2.gz DZOPAELBISWVGM-AWEZNQCLSA-N 0 3 274.324 0.443 20 10 CCCDHN C[NH+](C)CC[C@H](N)C(=O)NCc1c([O-])cccc1F ZINC001263200042 809479104 /nfs/dbraw/zinc/47/91/04/809479104.db2.gz YPOPLMRWQRKSLW-NSHDSACASA-N 0 3 269.320 0.427 20 10 CCCDHN COc1cc(O)c(CNCC(=O)N2CCCO2)cc1OC ZINC001184279126 844205327 /nfs/dbraw/zinc/20/53/27/844205327.db2.gz XJUNCWLCJDZSNG-UHFFFAOYSA-N 0 3 296.323 0.663 20 10 CCCDHN N=C(NC(=O)c1cccc(O)c1[O-])SCC[NH3+] ZINC001148220026 840766198 /nfs/dbraw/zinc/76/61/98/840766198.db2.gz LONNTZUNBBHYDN-UHFFFAOYSA-N 0 3 255.299 0.454 20 10 CCCDHN CN(C)C1(C)CN(C(=O)c2cccc(O)c2O)C1 ZINC001148218835 840766606 /nfs/dbraw/zinc/76/66/06/840766606.db2.gz MZMYZZMHYUIBPD-UHFFFAOYSA-N 0 3 250.298 0.874 20 10 CCCDHN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CN2CCC1CC2 ZINC001176467272 842371605 /nfs/dbraw/zinc/37/16/05/842371605.db2.gz OMPOEOJXNWORED-GFCCVEGCSA-N 0 3 276.336 0.851 20 10 CCCDHN COc1cc(C(=O)N2CC(C)(N(C)C)C2)cc(O)c1O ZINC001193096575 845993281 /nfs/dbraw/zinc/99/32/81/845993281.db2.gz ZKUNFROJUNXMLV-UHFFFAOYSA-N 0 3 280.324 0.883 20 10 CCCDHN NC(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC001325271725 913311046 /nfs/dbraw/zinc/31/10/46/913311046.db2.gz VOOLQOBNXIQAPZ-RNCFNFMXSA-N 0 3 292.335 0.515 20 10 CCCDHN NC(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC001325271725 913311062 /nfs/dbraw/zinc/31/10/62/913311062.db2.gz VOOLQOBNXIQAPZ-RNCFNFMXSA-N 0 3 292.335 0.515 20 10 CCCDHN COCCN(CCN(C)C)C(=O)NCc1ccc(N)cc1 ZINC001336290206 920701446 /nfs/dbraw/zinc/70/14/46/920701446.db2.gz JQRTYZMHOFFZLO-UHFFFAOYSA-N 0 3 294.399 0.988 20 10 CCCDHN [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001342614204 923027748 /nfs/dbraw/zinc/02/77/48/923027748.db2.gz SRSCHZQGDSPFTL-QPUJVOFHSA-N 0 3 268.288 0.511 20 10 CCCDHN O=C(C[C@]1(O)CCC[NH2+]C1)NCc1c([O-])cccc1F ZINC001344821068 923697696 /nfs/dbraw/zinc/69/76/96/923697696.db2.gz DTVQJOMMOWGQRK-CQSZACIVSA-N 0 3 282.315 0.652 20 10 CCCDHN Cc1cc(CN2CCC(O)(C(N)=O)CC2)ccc1N(C)C ZINC000295128763 199360668 /nfs/dbraw/zinc/36/06/68/199360668.db2.gz CABFFJZHNYHNBU-UHFFFAOYSA-N 0 3 291.395 0.873 20 10 CCCDHN COc1cccc(CN[C@@]2(CO)CCOC2)c1O ZINC000184197453 351405181 /nfs/dbraw/zinc/40/51/81/351405181.db2.gz WHSMIFVEEODFAO-CYBMUJFWSA-N 0 3 253.298 0.642 20 10 CCCDHN CN(C)C/C=C/C(=O)NCc1ccc(O)c(O)c1 ZINC000272294887 353049856 /nfs/dbraw/zinc/04/98/56/353049856.db2.gz HQFGNTGEHKBXLL-ONEGZZNKSA-N 0 3 250.298 0.832 20 10 CCCDHN CN(C)S(=O)(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297453180 200196172 /nfs/dbraw/zinc/19/61/72/200196172.db2.gz XDAHOTQYZNQKSK-NSHDSACASA-N 0 3 284.381 0.861 20 10 CCCDHN NS(=O)(=O)[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000360342783 389196607 /nfs/dbraw/zinc/19/66/07/389196607.db2.gz KIWLRCIODYVEAT-NSHDSACASA-N 0 3 270.354 0.645 20 10 CCCDHN CN(Cc1ccccc1O)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000372359473 389449567 /nfs/dbraw/zinc/44/95/67/389449567.db2.gz LEBNNJRDRPVTKE-AWEZNQCLSA-N 0 3 289.379 0.741 20 10 CCCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1COCCN1)OCO2 ZINC000530180541 390876020 /nfs/dbraw/zinc/87/60/20/390876020.db2.gz CFSVUEAUGOJGBF-SNVBAGLBSA-N 0 3 266.297 0.199 20 10 CCCDHN C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000165185439 261366674 /nfs/dbraw/zinc/36/66/74/261366674.db2.gz SYOIZMHYFKDNAI-NSHDSACASA-N 0 3 263.341 0.487 20 10 CCCDHN C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1[O-] ZINC000179902774 329213447 /nfs/dbraw/zinc/21/34/47/329213447.db2.gz FZINUOIDIWRMKB-JTQLQIEISA-N 0 3 272.370 0.982 20 10 CCCDHN CN(C(=O)c1cn[n-]c1[C@@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000424196206 330325199 /nfs/dbraw/zinc/32/51/99/330325199.db2.gz ZOTVEHLQFUKTCB-SNVBAGLBSA-N 0 3 288.355 0.887 20 10 CCCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(N)CC1 ZINC000088130904 523265727 /nfs/dbraw/zinc/26/57/27/523265727.db2.gz BBIJOOOVPXYHGG-UHFFFAOYSA-N 0 3 289.379 0.973 20 10 CCCDHN COc1cccc(CNCC(=O)NC2CC2)c1O ZINC000036782410 526010516 /nfs/dbraw/zinc/01/05/16/526010516.db2.gz NQRTVKOGSZBIJF-UHFFFAOYSA-N 0 3 250.298 0.769 20 10 CCCDHN C[C@](O)(CO)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000794749108 581387091 /nfs/dbraw/zinc/38/70/91/581387091.db2.gz YLBQMUWJLIUETI-OAHLLOKOSA-N 0 3 298.358 0.495 20 10 CCCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)CN(C)C)c1 ZINC000756557315 581671230 /nfs/dbraw/zinc/67/12/30/581671230.db2.gz SCSPCZMINJIXGX-CMPLNLGQSA-N 0 3 296.367 0.752 20 10 CCCDHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000775369132 582021363 /nfs/dbraw/zinc/02/13/63/582021363.db2.gz KNQUGLQLNDBOLS-IUCAKERBSA-N 0 3 295.339 0.896 20 10 CCCDHN COc1cc(O)c(CNCC(=O)N(C)OC)cc1OC ZINC000895041166 617207693 /nfs/dbraw/zinc/20/76/93/617207693.db2.gz URLJQYBXIDUBGY-UHFFFAOYSA-N 0 3 284.312 0.519 20 10 CCCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c([O-])c1 ZINC000825017135 615510758 /nfs/dbraw/zinc/51/07/58/615510758.db2.gz MMTADJGZEIODBU-ZIAGYGMSSA-N 0 3 267.325 0.982 20 10 CCCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)c([O-])c1 ZINC000825017135 615510759 /nfs/dbraw/zinc/51/07/59/615510759.db2.gz MMTADJGZEIODBU-ZIAGYGMSSA-N 0 3 267.325 0.982 20 10 CCCDHN CCOc1ccc(CN2C[C@@H](O)[C@H](OC)C2)c(O)c1 ZINC000825017135 615510760 /nfs/dbraw/zinc/51/07/60/615510760.db2.gz MMTADJGZEIODBU-ZIAGYGMSSA-N 0 3 267.325 0.982 20 10 CCCDHN CCc1cccc(CN2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000848904962 615683056 /nfs/dbraw/zinc/68/30/56/615683056.db2.gz FGFFLQSEIGECDG-GFCCVEGCSA-N 0 3 284.381 0.817 20 10 CCCDHN CN(C)c1ccc(CN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000808751104 616014352 /nfs/dbraw/zinc/01/43/52/616014352.db2.gz RERWXMMXUDJYRH-DZGCQCFKSA-N 0 3 264.369 0.928 20 10 CCCDHN CN(C)c1ccc([C@@H](CNC(=O)CC(N)=O)N(C)C)cc1 ZINC000891252698 616018977 /nfs/dbraw/zinc/01/89/77/616018977.db2.gz MRCIRWORMPTDFG-CYBMUJFWSA-N 0 3 292.383 0.347 20 10 CCCDHN CN(CC[NH2+][C@@H]1CCc2cccc([O-])c21)CCOCCO ZINC000883352182 616097203 /nfs/dbraw/zinc/09/72/03/616097203.db2.gz VZCKECOOUDEFKQ-CQSZACIVSA-N 0 3 294.395 0.910 20 10 CCCDHN CN(Cc1cc2c(cc1O)OCO2)C[C@@H]1COCCO1 ZINC000853558349 616164922 /nfs/dbraw/zinc/16/49/22/616164922.db2.gz HRLAQRYNWMBDMU-LLVKDONJSA-N 0 3 281.308 0.968 20 10 CCCDHN O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccccc1[O-] ZINC000903967206 634701635 /nfs/dbraw/zinc/70/16/35/634701635.db2.gz ANMAHHZMGROYIM-LBPRGKRZSA-N 0 3 284.381 0.259 20 10 CCCDHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccccc1O ZINC000827941173 642052607 /nfs/dbraw/zinc/05/26/07/642052607.db2.gz OOOAFFXWEGVMLF-TZMCWYRMSA-N 0 3 289.379 0.959 20 10 CCCDHN NC1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000852916604 644056878 /nfs/dbraw/zinc/05/68/78/644056878.db2.gz NSPJZOJYUMSMST-UHFFFAOYSA-N 0 3 289.379 0.755 20 10 CCCDHN C[C@@H](O)[C@@H](O)CNCc1ccc(N(C)C)c(F)c1 ZINC000865738683 645407042 /nfs/dbraw/zinc/40/70/42/645407042.db2.gz JEHIWPDTOMGKEB-RNCFNFMXSA-N 0 3 256.321 0.723 20 10 CCCDHN O=S1(=O)CCC[C@H]1CNCc1cc2c(cc1O)OCO2 ZINC000133915537 647660285 /nfs/dbraw/zinc/66/02/85/647660285.db2.gz XRHCTCDZRIJLTQ-JTQLQIEISA-N 0 3 299.348 0.788 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001140058078 790664412 /nfs/dbraw/zinc/66/44/12/790664412.db2.gz SDEAGOAGTPYJHD-MFKMUULPSA-N 0 3 255.289 0.706 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001140058078 790664417 /nfs/dbraw/zinc/66/44/17/790664417.db2.gz SDEAGOAGTPYJHD-MFKMUULPSA-N 0 3 255.289 0.706 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001140058079 790664477 /nfs/dbraw/zinc/66/44/77/790664477.db2.gz SDEAGOAGTPYJHD-ZWNOBZJWSA-N 0 3 255.289 0.706 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001140058079 790664485 /nfs/dbraw/zinc/66/44/85/790664485.db2.gz SDEAGOAGTPYJHD-ZWNOBZJWSA-N 0 3 255.289 0.706 20 10 CCCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237046330 806633556 /nfs/dbraw/zinc/63/35/56/806633556.db2.gz AHQPLJHDHZOTRI-FZMZJTMJSA-N 0 3 267.325 0.576 20 10 CCCDHN CCOc1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c([O-])c1 ZINC001237046330 806633561 /nfs/dbraw/zinc/63/35/61/806633561.db2.gz AHQPLJHDHZOTRI-FZMZJTMJSA-N 0 3 267.325 0.576 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001140057681 799878433 /nfs/dbraw/zinc/87/84/33/799878433.db2.gz KBNWGCXMTXCYTL-NOZJJQNGSA-N 0 3 255.289 0.706 20 10 CCCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001140057681 799878440 /nfs/dbraw/zinc/87/84/40/799878440.db2.gz KBNWGCXMTXCYTL-NOZJJQNGSA-N 0 3 255.289 0.706 20 10 CCCDHN CNC(=O)CC[N@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141028133 799973866 /nfs/dbraw/zinc/97/38/66/799973866.db2.gz CEEVUIIJGMUGGW-UHFFFAOYSA-N 0 3 282.340 0.977 20 10 CCCDHN CNC(=O)CC[N@@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141028133 799973871 /nfs/dbraw/zinc/97/38/71/799973871.db2.gz CEEVUIIJGMUGGW-UHFFFAOYSA-N 0 3 282.340 0.977 20 10 CCCDHN COc1cc(O)c(CN2CC[C@H](O)[C@H](CO)C2)c(OC)c1 ZINC001141031889 799973885 /nfs/dbraw/zinc/97/38/85/799973885.db2.gz NMHTVKWUUUXTBL-GWCFXTLKSA-N 0 3 297.351 0.585 20 10 CCCDHN CN(CCN1CCOCC1)Cc1cc(O)ccc1O ZINC001141155759 799985703 /nfs/dbraw/zinc/98/57/03/799985703.db2.gz IZGVBFIAYCCUEG-UHFFFAOYSA-N 0 3 266.341 0.862 20 10 CCCDHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872024 802036396 /nfs/dbraw/zinc/03/63/96/802036396.db2.gz GFIWYUZIQJLYHH-ZDUSSCGKSA-N 0 3 286.335 0.570 20 10 CCCDHN CN(C)C[C@@H]1CN(Cc2ccc(O)c(O)c2)CCO1 ZINC001203875322 803049230 /nfs/dbraw/zinc/04/92/30/803049230.db2.gz LKXRSSAJPZEMCL-GFCCVEGCSA-N 0 3 266.341 0.860 20 10 CCCDHN CC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2O)C1 ZINC001204277385 803077252 /nfs/dbraw/zinc/07/72/52/803077252.db2.gz CEBNYWCFOTZARS-LLVKDONJSA-N 0 3 250.298 0.808 20 10 CCCDHN COC(=O)[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)CN1 ZINC001246309279 807217050 /nfs/dbraw/zinc/21/70/50/807217050.db2.gz JGQJTFDWOKUUND-JSGCOSHPSA-N 0 3 277.368 0.746 20 10 CCCDHN [O-]c1cccc2c1C[N@H+](C[C@H](O)CN1CCOCC1)CC2 ZINC001251020068 807642607 /nfs/dbraw/zinc/64/26/07/807642607.db2.gz CLZUVJRECYDMEB-CQSZACIVSA-N 0 3 292.379 0.443 20 10 CCCDHN [O-]c1cccc2c1C[N@@H+](C[C@H](O)CN1CCOCC1)CC2 ZINC001251020068 807642616 /nfs/dbraw/zinc/64/26/16/807642616.db2.gz CLZUVJRECYDMEB-CQSZACIVSA-N 0 3 292.379 0.443 20 10 CCCDHN CN(C)C[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000702350787 819101091 /nfs/dbraw/zinc/10/10/91/819101091.db2.gz LISWOKUMVBJKFT-NSHDSACASA-N 0 3 251.330 0.240 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001203620452 844436248 /nfs/dbraw/zinc/43/62/48/844436248.db2.gz FXSYQTRYXIMYHQ-YPMHNXCESA-N 0 3 267.325 0.576 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c([O-])c1 ZINC001203620452 844436250 /nfs/dbraw/zinc/43/62/50/844436250.db2.gz FXSYQTRYXIMYHQ-YPMHNXCESA-N 0 3 267.325 0.576 20 10 CCCDHN COc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001203620984 844437716 /nfs/dbraw/zinc/43/77/16/844437716.db2.gz LXZWTRHQSDVESB-CABCVRRESA-N 0 3 281.352 0.966 20 10 CCCDHN COc1ccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c([O-])c1 ZINC001203620984 844437718 /nfs/dbraw/zinc/43/77/18/844437718.db2.gz LXZWTRHQSDVESB-CABCVRRESA-N 0 3 281.352 0.966 20 10 CCCDHN O=C1NC[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204279117 843271472 /nfs/dbraw/zinc/27/14/72/843271472.db2.gz RCZBVQKLXQHKOX-CABZTGNLSA-N 0 3 262.309 0.666 20 10 CCCDHN O=C1NC[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204279117 843271476 /nfs/dbraw/zinc/27/14/76/843271476.db2.gz RCZBVQKLXQHKOX-CABZTGNLSA-N 0 3 262.309 0.666 20 10 CCCDHN CN1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000386616218 897469313 /nfs/dbraw/zinc/46/93/13/897469313.db2.gz DGYXMAATTSJFRC-AWEZNQCLSA-N 0 3 289.379 0.844 20 10 CCCDHN C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc([O-])cs2)C1 ZINC001352549690 925597405 /nfs/dbraw/zinc/59/74/05/925597405.db2.gz MSXLZULHJVUYJX-GFCCVEGCSA-N 0 3 270.354 0.592 20 10 CCCDHN CN(C)C[C@]1(O)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC001352549690 925597411 /nfs/dbraw/zinc/59/74/11/925597411.db2.gz MSXLZULHJVUYJX-GFCCVEGCSA-N 0 3 270.354 0.592 20 10 CCCDHN