smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCO[C@H]1CCCCO1)Cc1ccc(N2CCOCC2)cc1 ZINC000193041027 529924742 /nfs/dbraw/zinc/92/47/42/529924742.db2.gz SRTUJWUCCFHDDE-IBGZPJMESA-N 0 3 334.460 2.498 20 10 EECDHN CN1CCN(c2cc(C[NH2+][C@H]3CCc4cccc([O-])c43)ccn2)CC1 ZINC000296001790 465047704 /nfs/dbraw/zinc/04/77/04/465047704.db2.gz OKGFONGVEAVPKL-KRWDZBQOSA-N 0 3 338.455 2.316 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)C[C@@H](C)C1)cc2=O ZINC000047274560 462763979 /nfs/dbraw/zinc/76/39/79/462763979.db2.gz OLPOZQAFVUFFPD-VXGBXAGGSA-N 0 3 332.404 2.090 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000092011564 462919427 /nfs/dbraw/zinc/91/94/27/462919427.db2.gz PSYCKZAAUFUNTR-YOEHRIQHSA-N 0 3 331.416 2.080 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000092011564 462919431 /nfs/dbraw/zinc/91/94/31/462919431.db2.gz PSYCKZAAUFUNTR-YOEHRIQHSA-N 0 3 331.416 2.080 20 10 EECDHN Cc1ccc([O-])c(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000158348233 463228609 /nfs/dbraw/zinc/22/86/09/463228609.db2.gz UQBGHPOQDQRRRX-UHFFFAOYSA-N 0 3 340.470 2.172 20 10 EECDHN Cc1ccc(O)c(CNCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000158348233 463228615 /nfs/dbraw/zinc/22/86/15/463228615.db2.gz UQBGHPOQDQRRRX-UHFFFAOYSA-N 0 3 340.470 2.172 20 10 EECDHN CCCOc1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c([O-])c1 ZINC000278684227 463976287 /nfs/dbraw/zinc/97/62/87/463976287.db2.gz MGFXKWAIODQGJY-WMZOPIPTSA-N 0 3 345.443 2.122 20 10 EECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c([O-])c1 ZINC000278684227 463976292 /nfs/dbraw/zinc/97/62/92/463976292.db2.gz MGFXKWAIODQGJY-WMZOPIPTSA-N 0 3 345.443 2.122 20 10 EECDHN CCOCc1cc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)ccc1OC ZINC000284036442 464072996 /nfs/dbraw/zinc/07/29/96/464072996.db2.gz ONVDOTSPEODVIC-AEFFLSMTSA-N 0 3 339.476 2.479 20 10 EECDHN Cc1cccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1[O-] ZINC000280031958 464181438 /nfs/dbraw/zinc/18/14/38/464181438.db2.gz WBWOEIFSMLAOCY-WMZOPIPTSA-N 0 3 346.450 2.479 20 10 EECDHN Cc1cccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1[O-] ZINC000280031958 464181440 /nfs/dbraw/zinc/18/14/40/464181440.db2.gz WBWOEIFSMLAOCY-WMZOPIPTSA-N 0 3 346.450 2.479 20 10 EECDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000228099355 464190323 /nfs/dbraw/zinc/19/03/23/464190323.db2.gz WJTZBXTUIUAWAC-HNNXBMFYSA-N 0 3 341.249 2.421 20 10 EECDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000228099355 464190328 /nfs/dbraw/zinc/19/03/28/464190328.db2.gz WJTZBXTUIUAWAC-HNNXBMFYSA-N 0 3 341.249 2.421 20 10 EECDHN CCN1CCN(CCC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000352123527 465476316 /nfs/dbraw/zinc/47/63/16/465476316.db2.gz VQDLDBOJYUBGKG-UHFFFAOYSA-N 0 3 342.487 2.131 20 10 EECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1c(C)cc(C)cc1[O-])CC2 ZINC000285197971 464483560 /nfs/dbraw/zinc/48/35/60/464483560.db2.gz NZVIUVJEWDVUKV-UONOGXRCSA-N 0 3 330.432 2.413 20 10 EECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000275443067 464774977 /nfs/dbraw/zinc/77/49/77/464774977.db2.gz GALLCDMYDHBLSR-YJBOKZPZSA-N 0 3 331.416 2.371 20 10 EECDHN O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000365563190 466863540 /nfs/dbraw/zinc/86/35/40/466863540.db2.gz SOKJEXKVEKIYLJ-HNNXBMFYSA-N 0 3 326.396 2.350 20 10 EECDHN O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000365563190 466863545 /nfs/dbraw/zinc/86/35/45/466863545.db2.gz SOKJEXKVEKIYLJ-HNNXBMFYSA-N 0 3 326.396 2.350 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530228042 467965252 /nfs/dbraw/zinc/96/52/52/467965252.db2.gz XSSGBGMJXLJIMJ-JQWIXIFHSA-N 0 3 329.238 2.102 20 10 EECDHN O=C(C1CCC1)N(CCC[NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000731360310 577095359 /nfs/dbraw/zinc/09/53/59/577095359.db2.gz AREDQKOBORGDBS-UHFFFAOYSA-N 0 3 346.427 2.392 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)c1 ZINC000775373739 577436166 /nfs/dbraw/zinc/43/61/66/577436166.db2.gz VRBRUDOWSBTLBQ-LBPRGKRZSA-N 0 3 330.384 2.116 20 10 EECDHN COc1ccc(O)c([C@H](C)NCc2ccc(OCC(N)=O)cc2)c1 ZINC000775373739 577436167 /nfs/dbraw/zinc/43/61/67/577436167.db2.gz VRBRUDOWSBTLBQ-LBPRGKRZSA-N 0 3 330.384 2.116 20 10 EECDHN CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C(=O)OC ZINC000775835440 577446903 /nfs/dbraw/zinc/44/69/03/577446903.db2.gz YTRSWPDWZOFDIW-SUNYJGFJSA-N 0 3 349.475 2.107 20 10 EECDHN COc1cccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1[O-] ZINC000776939963 577470112 /nfs/dbraw/zinc/47/01/12/577470112.db2.gz VDWHUOORFFPSEJ-AWEZNQCLSA-N 0 3 348.830 2.488 20 10 EECDHN Oc1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)[C@H](O)CO2 ZINC000768438348 577555554 /nfs/dbraw/zinc/55/55/54/577555554.db2.gz RLLQHMIMHKTVAH-LJQANCHMSA-N 0 3 340.423 2.136 20 10 EECDHN COc1cccc(CNCc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000757694206 577862598 /nfs/dbraw/zinc/86/25/98/577862598.db2.gz QURVPBMSJVAFHL-UHFFFAOYSA-N 0 3 333.409 2.020 20 10 EECDHN CC[C@H]1C[C@H](C)CN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000745948618 577920673 /nfs/dbraw/zinc/92/06/73/577920673.db2.gz MSYLHMAPDALMRG-IRXDYDNUSA-N 0 3 345.487 2.464 20 10 EECDHN CC[C@H]1C[C@@H](C)CN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000745948619 577920676 /nfs/dbraw/zinc/92/06/76/577920676.db2.gz MSYLHMAPDALMRG-SJORKVTESA-N 0 3 345.487 2.464 20 10 EECDHN [O-]c1ccccc1CN(Cc1ccco1)C[C@@H](O)C[NH+]1CCCC1 ZINC000749299787 577974215 /nfs/dbraw/zinc/97/42/15/577974215.db2.gz ZQVRRSLFPUMOKU-KRWDZBQOSA-N 0 3 330.428 2.444 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)no2)N(C)C)cc1 ZINC000891246180 676239735 /nfs/dbraw/zinc/23/97/35/676239735.db2.gz MZVXDOYZIONWRH-ZDUSSCGKSA-N 0 3 336.823 2.427 20 10 EECDHN CCn1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891248646 676242906 /nfs/dbraw/zinc/24/29/06/676242906.db2.gz ZPKMGTHLXDIBBB-QGZVFWFLSA-N 0 3 329.448 2.002 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@](C)(O)C2CCC2)N(C)C)cc1 ZINC000891249294 676243639 /nfs/dbraw/zinc/24/36/39/676243639.db2.gz QKLNZEYXGVOKPC-HKUYNNGSSA-N 0 3 333.476 2.023 20 10 EECDHN COC[C@@H](C)N1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340762 681185591 /nfs/dbraw/zinc/18/55/91/681185591.db2.gz XAIKRZAYWMPFKM-IUODEOHRSA-N 0 3 347.419 2.078 20 10 EECDHN COc1ccc(C[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)c([O-])c1 ZINC000894184591 681195382 /nfs/dbraw/zinc/19/53/82/681195382.db2.gz COZASDIIFOMAJP-UHFFFAOYSA-N 0 3 347.436 2.495 20 10 EECDHN O=C1COc2ccccc2CN1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000896280271 684926056 /nfs/dbraw/zinc/92/60/56/684926056.db2.gz DSDUZNMAHWAPIY-UHFFFAOYSA-N 0 3 330.359 2.042 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897693868 691750833 /nfs/dbraw/zinc/75/08/33/691750833.db2.gz QMPGUJJXKHLTQU-SFHVURJKSA-N 0 3 336.432 2.162 20 10 EECDHN CCCn1cc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898447230 693323551 /nfs/dbraw/zinc/32/35/51/693323551.db2.gz HOWBGBSIVOLSQL-SFHVURJKSA-N 0 3 330.480 2.147 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC(F)CC2)N(C)C)cc1 ZINC000899099311 693611699 /nfs/dbraw/zinc/61/16/99/693611699.db2.gz YSSKTCUFLAPWLB-KRWDZBQOSA-N 0 3 336.455 2.499 20 10 EECDHN O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000185089612 1192579906 /nfs/dbraw/zinc/57/99/06/1192579906.db2.gz QCQMCJZTNFMFTL-UHFFFAOYSA-N 0 3 332.425 2.222 20 10 EECDHN CN1CC[C@]2(CCCN(Cc3ccc4c(c3)OCCN4C)CC2)C1=O ZINC001272385823 1190795725 /nfs/dbraw/zinc/79/57/25/1190795725.db2.gz FSRUJMIPQPSFBQ-FQEVSTJZSA-N 0 3 343.471 2.350 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@@H]3CCN3C3CCCC3)CC2)cc1 ZINC000873779360 1198700277 /nfs/dbraw/zinc/70/02/77/1198700277.db2.gz RYXXBFUXIVXOHE-IBGZPJMESA-N 0 3 343.471 2.361 20 10 EECDHN Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c([O-])c1 ZINC000876994846 1199839506 /nfs/dbraw/zinc/83/95/06/1199839506.db2.gz QOBUWSYGYRMXJP-UHFFFAOYSA-N 0 3 325.412 2.490 20 10 EECDHN COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(C)cc2[O-])cc1O ZINC000877527538 1199956506 /nfs/dbraw/zinc/95/65/06/1199956506.db2.gz QBFTUMZQZCKFJD-HNNXBMFYSA-N 0 3 331.412 2.356 20 10 EECDHN CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879648959 1201193300 /nfs/dbraw/zinc/19/33/00/1201193300.db2.gz HKJLKAFSIJPLNI-ZIAGYGMSSA-N 0 3 348.443 2.233 20 10 EECDHN CCOc1ccc(N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001274799628 1205167612 /nfs/dbraw/zinc/16/76/12/1205167612.db2.gz SEVWFRIPCDXKIH-IBGZPJMESA-N 0 3 331.460 2.076 20 10 EECDHN CN1CC[C@@]2(CC[N@H+](Cc3c([O-])cccc3OC(F)(F)F)C2)C1=O ZINC001274823503 1205176969 /nfs/dbraw/zinc/17/69/69/1205176969.db2.gz VKBSFFKLNMDGNM-HNNXBMFYSA-N 0 3 344.333 2.345 20 10 EECDHN CN1CC[C@@]2(CC[N@@H+](Cc3c([O-])cccc3OC(F)(F)F)C2)C1=O ZINC001274823503 1205176973 /nfs/dbraw/zinc/17/69/73/1205176973.db2.gz VKBSFFKLNMDGNM-HNNXBMFYSA-N 0 3 344.333 2.345 20 10 EECDHN COc1ccc(O)c(CN2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1 ZINC001275278511 1205296826 /nfs/dbraw/zinc/29/68/26/1205296826.db2.gz LESWOWSDYMCRJG-MJGOQNOKSA-N 0 3 332.444 2.228 20 10 EECDHN Cc1cc(CN2C(=O)N[C@@H](CN(C)C)C2=O)c(C)n1-c1ccccc1 ZINC000925033382 1206062915 /nfs/dbraw/zinc/06/29/15/1206062915.db2.gz YKXQTSDGYZITTC-KRWDZBQOSA-N 0 3 340.427 2.076 20 10 EECDHN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000795643249 1214574700 /nfs/dbraw/zinc/57/47/00/1214574700.db2.gz BEOGGJASXXANHO-QGZVFWFLSA-N 0 3 344.367 2.401 20 10 EECDHN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000795643249 1214574705 /nfs/dbraw/zinc/57/47/05/1214574705.db2.gz BEOGGJASXXANHO-QGZVFWFLSA-N 0 3 344.367 2.401 20 10 EECDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000827812407 1248790282 /nfs/dbraw/zinc/79/02/82/1248790282.db2.gz MFNCDVGTIHTMCB-JLIMDTESSA-N 0 3 344.205 2.205 20 10 EECDHN C[C@H]1[C@@H](NC(=O)c2cccc(O)c2O)CCN1Cc1ccccc1 ZINC000383382414 1249526119 /nfs/dbraw/zinc/52/61/19/1249526119.db2.gz BTPOFDJGNYVEGD-BBRMVZONSA-N 0 3 326.396 2.491 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccccn2)N(C)C)cc1 ZINC000891425434 1276600265 /nfs/dbraw/zinc/60/02/65/1276600265.db2.gz CFWULPMQXDFIBJ-GOSISDBHSA-N 0 3 341.459 2.250 20 10 EECDHN COc1cc(C(=O)N2CCN(CC3CCCCC3)CC2)cc(O)c1O ZINC001193082136 1282302164 /nfs/dbraw/zinc/30/21/64/1282302164.db2.gz RSRFHOJYWZDRMO-UHFFFAOYSA-N 0 3 348.443 2.445 20 10 EECDHN CS(=O)(=O)c1ccc(CNCCCSc2nccs2)o1 ZINC001326046343 1283994856 /nfs/dbraw/zinc/99/48/56/1283994856.db2.gz PRUQCSACFQGBAX-UHFFFAOYSA-N 0 3 332.472 2.412 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000852017947 1291956835 /nfs/dbraw/zinc/95/68/35/1291956835.db2.gz HLSMLIYPDGWXPT-MRXNPFEDSA-N 0 3 348.443 2.158 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000852017947 1291956838 /nfs/dbraw/zinc/95/68/38/1291956838.db2.gz HLSMLIYPDGWXPT-MRXNPFEDSA-N 0 3 348.443 2.158 20 10 EECDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000858496958 1294134407 /nfs/dbraw/zinc/13/44/07/1294134407.db2.gz BYZOZOAZEGXCHZ-LERXQTSPSA-N 0 3 330.425 2.042 20 10 EECDHN O=C1c2ccccc2C(=O)c2cc(O[C@H]3CC[C@@H]4NCCO[C@H]43)ccc21 ZINC001218150180 1297584523 /nfs/dbraw/zinc/58/45/23/1297584523.db2.gz AFIZJEIXOLGCIX-BBTUJRGHSA-N 0 3 349.386 2.360 20 10 EECDHN O=C1c2cccc(O[C@@H]3C[C@H]4C[NH2+][C@@H]3C4)c2C(=O)c2cccc([O-])c21 ZINC001218491484 1297680803 /nfs/dbraw/zinc/68/08/03/1297680803.db2.gz KFNFHBOEPNSUGX-OWRWGESLSA-N 0 3 335.359 2.297 20 10 EECDHN CCOc1ccc(N2CCC[C@@]3(CCN(CC(=O)N(C)C)C3)C2)cc1 ZINC001276925999 1300294706 /nfs/dbraw/zinc/29/47/06/1300294706.db2.gz LJTHWIVWAFLHAW-FQEVSTJZSA-N 0 3 345.487 2.466 20 10 EECDHN O=C([C@H]1CC12CN(Cc1ccccc1O)C2)N1CC(F)(C2CC2)C1 ZINC001277445415 1303056998 /nfs/dbraw/zinc/05/69/98/1303056998.db2.gz FJVKZUFQRSYLIM-OAHLLOKOSA-N 0 3 330.403 2.175 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001231467904 1303810250 /nfs/dbraw/zinc/81/02/50/1303810250.db2.gz NOLCUITYNNPVEB-XLIONFOSSA-N 0 3 343.423 2.146 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001231467904 1303810253 /nfs/dbraw/zinc/81/02/53/1303810253.db2.gz NOLCUITYNNPVEB-XLIONFOSSA-N 0 3 343.423 2.146 20 10 EECDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c([O-])ccc3ccccc32)O1 ZINC001231586653 1303855805 /nfs/dbraw/zinc/85/58/05/1303855805.db2.gz KKHIBEOYNFTZDM-QRQLOZEOSA-N 0 3 340.423 2.365 20 10 EECDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c([O-])ccc3ccccc32)O1 ZINC001231586653 1303855809 /nfs/dbraw/zinc/85/58/09/1303855809.db2.gz KKHIBEOYNFTZDM-QRQLOZEOSA-N 0 3 340.423 2.365 20 10 EECDHN CC(=O)N1CCCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233726516 1304569425 /nfs/dbraw/zinc/56/94/25/1304569425.db2.gz FKBCDURGJZBVIJ-UHFFFAOYSA-N 0 3 332.322 2.345 20 10 EECDHN COC(=O)[C@@]1(N)CCN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001236276633 1305548228 /nfs/dbraw/zinc/54/82/28/1305548228.db2.gz LMMORLNEWSAPMO-LJQANCHMSA-N 0 3 327.428 2.170 20 10 EECDHN COc1cc(C)c(CN2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC001236814357 1305688164 /nfs/dbraw/zinc/68/81/64/1305688164.db2.gz RBDAHZYGFSBVHF-UHFFFAOYSA-N 0 3 342.443 2.438 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001237488249 1305956675 /nfs/dbraw/zinc/95/66/75/1305956675.db2.gz KRYFJTWSHKRIQD-KRWDZBQOSA-N 0 3 344.455 2.162 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3nccc(C)n3)C2)c(O)c(OC)c1 ZINC001237684839 1306047860 /nfs/dbraw/zinc/04/78/60/1306047860.db2.gz SIWHHSXWBWHYOB-AWEZNQCLSA-N 0 3 345.399 2.161 20 10 EECDHN CCC1=NC2(CC[NH+](Cc3cc(F)cc(C)c3[O-])CC2)C(=O)N1C ZINC001238064376 1306206209 /nfs/dbraw/zinc/20/62/09/1306206209.db2.gz CFSJTYVHSPPOBJ-UHFFFAOYSA-N 0 3 333.407 2.455 20 10 EECDHN Cc1cc(N)nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC001119936597 1309251505 /nfs/dbraw/zinc/25/15/05/1309251505.db2.gz SFLNAQRULQTVGW-UHFFFAOYSA-N 0 3 331.395 2.080 20 10 EECDHN CC[C@@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359327 1314454421 /nfs/dbraw/zinc/45/44/21/1314454421.db2.gz RPTYZSNVBSEFGS-CQSZACIVSA-N 0 3 327.375 2.110 20 10 EECDHN Oc1c(CN2CCO[C@@]3(CCOC3)C2)cc2c3c1CCCN3CCC2 ZINC001138337845 1314602165 /nfs/dbraw/zinc/60/21/65/1314602165.db2.gz DTQCVPWJTHEWCG-FQEVSTJZSA-N 0 3 344.455 2.082 20 10 EECDHN Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000840913052 1315434208 /nfs/dbraw/zinc/43/42/08/1315434208.db2.gz DMHDIWDSHVAYCW-IBGZPJMESA-N 0 3 345.487 2.274 20 10 EECDHN COCCNC(=O)[C@H](CC(C)C)NCc1ccc(N(C)C)cc1C ZINC000840936253 1315440478 /nfs/dbraw/zinc/44/04/78/1315440478.db2.gz HPVFITDXDVPQEO-SFHVURJKSA-N 0 3 335.492 2.328 20 10 EECDHN COc1cnc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c(OC)c1 ZINC001249339369 1317057640 /nfs/dbraw/zinc/05/76/40/1317057640.db2.gz NCQOVKZUPTYEIF-GFCCVEGCSA-N 0 3 342.355 2.097 20 10 EECDHN CCOc1cccc(CN2CC[C@@H](Oc3nccc(OC)n3)C2)c1O ZINC001203617015 1321924531 /nfs/dbraw/zinc/92/45/31/1321924531.db2.gz FUDFJWQHEPDMOU-CQSZACIVSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(O)c(CN2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)c1 ZINC001203671906 1321937219 /nfs/dbraw/zinc/93/72/19/1321937219.db2.gz YSCNTDUHEXAKFG-AFAVFJNCSA-N 0 3 345.399 2.444 20 10 EECDHN COC1CCN(c2ccc(CN3CCNC(=O)C[C@H]3C)cc2)CC1 ZINC000828528788 1372245854 /nfs/dbraw/zinc/24/58/54/1372245854.db2.gz APIACADOEZRYMZ-OAHLLOKOSA-N 0 3 331.460 2.012 20 10 EECDHN C[C@H]1CCN(CC(=O)NCCC2=CCN(c3cccc(F)n3)CC2)C1 ZINC001089864191 782402784 /nfs/dbraw/zinc/40/27/84/782402784.db2.gz RREYYRATPKFWHZ-HNNXBMFYSA-N 0 3 346.450 2.205 20 10 EECDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000846697289 790427431 /nfs/dbraw/zinc/42/74/31/790427431.db2.gz MXGGJUHXOBSOMH-IBGZPJMESA-N 0 3 341.455 2.160 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1[O-] ZINC000816666877 784180402 /nfs/dbraw/zinc/18/04/02/784180402.db2.gz XUCDXAYTOCTALR-SJORKVTESA-N 0 3 341.835 2.464 20 10 EECDHN CCCN1C[C@H](C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1=O ZINC000817411300 784765401 /nfs/dbraw/zinc/76/54/01/784765401.db2.gz PEUPOFPHVHPLTE-NSHDSACASA-N 0 3 326.824 2.402 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3C)CC2)cc1 ZINC000009998334 785689360 /nfs/dbraw/zinc/68/93/60/785689360.db2.gz CFRFPEXCUIEGEO-INIZCTEOSA-N 0 3 331.460 2.218 20 10 EECDHN CN(C[C@@](C)(O)C[N@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000844306346 789003884 /nfs/dbraw/zinc/00/38/84/789003884.db2.gz JDWBBAGPWHLTET-SFHVURJKSA-N 0 3 338.448 2.442 20 10 EECDHN CN(C[C@@](C)(O)C[N@@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000844306346 789003896 /nfs/dbraw/zinc/00/38/96/789003896.db2.gz JDWBBAGPWHLTET-SFHVURJKSA-N 0 3 338.448 2.442 20 10 EECDHN CCOC[C@H]1CN(Cc2c(O)cc(O)cc2O)Cc2cnn(CC)c21 ZINC001144510008 789910177 /nfs/dbraw/zinc/91/01/77/789910177.db2.gz POKBKUHAXDVAHY-CYBMUJFWSA-N 0 3 347.415 2.156 20 10 EECDHN C[NH+]1CCC(N(C(=O)c2cc(O)c([O-])c(O)c2)C2CCCC2)CC1 ZINC001148587670 792573261 /nfs/dbraw/zinc/57/32/61/792573261.db2.gz KPDFZRGNSVQKCW-UHFFFAOYSA-N 0 3 334.416 2.282 20 10 EECDHN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000787420948 807108616 /nfs/dbraw/zinc/10/86/16/807108616.db2.gz NIIATHMCIYROTI-UKRRQHHQSA-N 0 3 336.407 2.046 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c1[O-] ZINC000793278830 810227785 /nfs/dbraw/zinc/22/77/85/810227785.db2.gz AFSWHXAFFKNIFG-UHFFFAOYSA-N 0 3 333.837 2.111 20 10 EECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)CC2 ZINC000296636207 465227880 /nfs/dbraw/zinc/22/78/80/465227880.db2.gz BSHCFZHSZARNSY-OCCSQVGLSA-N 0 3 330.350 2.232 20 10 EECDHN COc1ccc(CNC(=O)C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000297960583 465275488 /nfs/dbraw/zinc/27/54/88/465275488.db2.gz ZGJUIOCMFABZLZ-INIZCTEOSA-N 0 3 326.396 2.294 20 10 EECDHN CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054544627 463244020 /nfs/dbraw/zinc/24/40/20/463244020.db2.gz VAFBKTAIXCPXSH-AWEZNQCLSA-N 0 3 348.468 2.307 20 10 EECDHN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054544627 463244026 /nfs/dbraw/zinc/24/40/26/463244026.db2.gz VAFBKTAIXCPXSH-AWEZNQCLSA-N 0 3 348.468 2.307 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)[C@H](C)C1)cc2=O ZINC000123008369 463308759 /nfs/dbraw/zinc/30/87/59/463308759.db2.gz IKOCPDWMFVDOLB-NWDGAFQWSA-N 0 3 332.404 2.090 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3cccnc3)C2)cc1OC ZINC000160420163 463337099 /nfs/dbraw/zinc/33/70/99/463337099.db2.gz YJESOPRJUPSWND-HNNXBMFYSA-N 0 3 330.384 2.458 20 10 EECDHN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(F)ccc1[O-] ZINC000185141358 463761913 /nfs/dbraw/zinc/76/19/13/463761913.db2.gz ATHWMFZSZDILNA-DYVFJYSZSA-N 0 3 340.464 2.390 20 10 EECDHN Cc1cc(Br)cc([C@H](C)NCc2cnnn2C)c1O ZINC000287233394 463842106 /nfs/dbraw/zinc/84/21/06/463842106.db2.gz GSWYOIRPUWAWBN-VIFPVBQESA-N 0 3 325.210 2.442 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1[O-] ZINC000279640600 464118108 /nfs/dbraw/zinc/11/81/08/464118108.db2.gz CWIHJGFFAYTZJP-GFCCVEGCSA-N 0 3 326.824 2.402 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1[C@H](C)CC[C@@H]1CC)cc2=O ZINC000271558713 464333373 /nfs/dbraw/zinc/33/33/73/464333373.db2.gz PHZURIMEZFAZSK-YPMHNXCESA-N 0 3 332.404 2.375 20 10 EECDHN Cc1cc(CN(C)C[C@H](O)COCCOC(C)C)ccc1N(C)C ZINC000293141604 464389263 /nfs/dbraw/zinc/38/92/63/464389263.db2.gz QKXFVCLQTPWWEU-SFHVURJKSA-N 0 3 338.492 2.295 20 10 EECDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1C ZINC000285509108 464590009 /nfs/dbraw/zinc/59/00/09/464590009.db2.gz NHESHSYMPWXVON-HOCLYGCPSA-N 0 3 340.489 2.207 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CC[C@](COC)(C(=O)OC)C2)c([O-])c1 ZINC000295079888 464698574 /nfs/dbraw/zinc/69/85/74/464698574.db2.gz QFPFBLIZGFOLTP-SFHVURJKSA-N 0 3 337.416 2.193 20 10 EECDHN CCCOc1ccc(C[N@H+]2CC[C@](COC)(C(=O)OC)C2)c([O-])c1 ZINC000295079888 464698576 /nfs/dbraw/zinc/69/85/76/464698576.db2.gz QFPFBLIZGFOLTP-SFHVURJKSA-N 0 3 337.416 2.193 20 10 EECDHN COc1ccc(O)c([C@H](C)NC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285811027 464704497 /nfs/dbraw/zinc/70/44/97/464704497.db2.gz WLWIEHLWGHLWNC-XHDPSFHLSA-N 0 3 348.365 2.315 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285811027 464704499 /nfs/dbraw/zinc/70/44/99/464704499.db2.gz WLWIEHLWGHLWNC-XHDPSFHLSA-N 0 3 348.365 2.315 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)CC1(C)C)cc2=O ZINC000266926031 464874619 /nfs/dbraw/zinc/87/46/19/464874619.db2.gz KEUYUDXKXNSCJK-NSHDSACASA-N 0 3 332.404 2.232 20 10 EECDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccccc1O ZINC000267383505 464930854 /nfs/dbraw/zinc/93/08/54/464930854.db2.gz VOBJHFXVBAYMCK-UHFFFAOYSA-N 0 3 341.411 2.017 20 10 EECDHN COC(=O)c1cn(C2CC[NH+](Cc3cc(C)c(C)cc3[O-])CC2)nn1 ZINC000184071825 464944434 /nfs/dbraw/zinc/94/44/34/464944434.db2.gz QXAZJLOXJSWYJX-UHFFFAOYSA-N 0 3 344.415 2.224 20 10 EECDHN CN(C)c1ccc(CN[C@H]2CCCc3c2cnn3CCO)cc1F ZINC000363410084 466385980 /nfs/dbraw/zinc/38/59/80/466385980.db2.gz CBFCELMKSINRGT-INIZCTEOSA-N 0 3 332.423 2.248 20 10 EECDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccccc1[O-] ZINC000364363751 466696228 /nfs/dbraw/zinc/69/62/28/466696228.db2.gz ORPNFHXWGXOXFU-YEWDVWPNSA-N 0 3 331.416 2.153 20 10 EECDHN CCOc1cccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1O ZINC000369141903 466716293 /nfs/dbraw/zinc/71/62/93/466716293.db2.gz GIIFKLFHNJYMAS-KRWDZBQOSA-N 0 3 331.416 2.460 20 10 EECDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCNc1ccncc1 ZINC000527467268 467660420 /nfs/dbraw/zinc/66/04/20/467660420.db2.gz GLLYEGQPQQGBHK-UHFFFAOYSA-N 0 3 337.427 2.215 20 10 EECDHN CN(C)CCNC(=O)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000529644841 467890655 /nfs/dbraw/zinc/89/06/55/467890655.db2.gz PPQAVIAEJRRRBJ-UHFFFAOYSA-N 0 3 331.391 2.435 20 10 EECDHN COc1cccc([O-])c1C[NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000725843676 576062938 /nfs/dbraw/zinc/06/29/38/576062938.db2.gz BSKGGPYPHBZQIH-MRXNPFEDSA-N 0 3 346.427 2.465 20 10 EECDHN CN(CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)CC(C)(C)C ZINC000726971398 576363249 /nfs/dbraw/zinc/36/32/49/576363249.db2.gz HFKFVMCTHXQXLW-UHFFFAOYSA-N 0 3 347.503 2.460 20 10 EECDHN COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000771628165 577222228 /nfs/dbraw/zinc/22/22/28/577222228.db2.gz FSKNJGNSRXJTEK-CZUORRHYSA-N 0 3 349.427 2.229 20 10 EECDHN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000771628165 577222230 /nfs/dbraw/zinc/22/22/30/577222230.db2.gz FSKNJGNSRXJTEK-CZUORRHYSA-N 0 3 349.427 2.229 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CCc2cnccn2)c1[O-] ZINC000774830371 577419866 /nfs/dbraw/zinc/41/98/66/577419866.db2.gz CGECQDHDMIPZAY-UHFFFAOYSA-N 0 3 338.205 2.286 20 10 EECDHN CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2OCCOC)cc1 ZINC000776812596 577468413 /nfs/dbraw/zinc/46/84/13/577468413.db2.gz LJVZIYIGBPPVBA-RTBURBONSA-N 0 3 336.476 2.443 20 10 EECDHN C[C@H](NC[C@@H]1COCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000765251234 577497920 /nfs/dbraw/zinc/49/79/20/577497920.db2.gz NNYIQOKOTSDZPH-DZGCQCFKSA-N 0 3 340.851 2.243 20 10 EECDHN CC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H](O)C(F)(F)F ZINC000765786413 577507163 /nfs/dbraw/zinc/50/71/63/577507163.db2.gz FSSVPPORFVWIHE-CABCVRRESA-N 0 3 332.366 2.315 20 10 EECDHN C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756576331 577847142 /nfs/dbraw/zinc/84/71/42/577847142.db2.gz MKOHKGFTOXQSLP-UONOGXRCSA-N 0 3 348.447 2.120 20 10 EECDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000757775571 577863869 /nfs/dbraw/zinc/86/38/69/577863869.db2.gz KBLZMNAKUKFZBO-KSSFIOAISA-N 0 3 330.476 2.377 20 10 EECDHN CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000747815731 577950583 /nfs/dbraw/zinc/95/05/83/577950583.db2.gz MKJZWYNVTMQAME-HZPDHXFCSA-N 0 3 333.476 2.429 20 10 EECDHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243500 676235800 /nfs/dbraw/zinc/23/58/00/676235800.db2.gz OYIIQIWOPDYAJH-SQNIBIBYSA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CCC2(O)CCC2)N(C)C)cc1 ZINC000891249603 676244324 /nfs/dbraw/zinc/24/43/24/676244324.db2.gz ROSTYHWOOBITMP-KRWDZBQOSA-N 0 3 333.476 2.167 20 10 EECDHN Cc1cncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891250494 676245493 /nfs/dbraw/zinc/24/54/93/676245493.db2.gz AJLNFFKYICZFLY-GOSISDBHSA-N 0 3 326.444 2.489 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCCCO2)N(C)C)cc1 ZINC000891252448 676248532 /nfs/dbraw/zinc/24/85/32/676248532.db2.gz LTGXKUHRDUIXDT-MSOLQXFVSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(O)c2)N(C)C)cc1 ZINC000891257499 676252322 /nfs/dbraw/zinc/25/23/22/676252322.db2.gz HOZIAGFJTRRFOI-SFHVURJKSA-N 0 3 327.428 2.491 20 10 EECDHN Cc1nc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000891257908 676253147 /nfs/dbraw/zinc/25/31/47/676253147.db2.gz MUMXEUHEJZTPBN-KRWDZBQOSA-N 0 3 346.500 2.479 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccco2)N(C)C)cc1 ZINC000891404937 676571388 /nfs/dbraw/zinc/57/13/88/676571388.db2.gz PBWNOASIPUGOSD-QGZVFWFLSA-N 0 3 330.432 2.448 20 10 EECDHN O=c1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc[n-]1 ZINC000893081892 683707155 /nfs/dbraw/zinc/70/71/55/683707155.db2.gz QNJLOSCYHMHWTN-UHFFFAOYSA-N 0 3 339.443 2.326 20 10 EECDHN CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000897891749 691813827 /nfs/dbraw/zinc/81/38/27/691813827.db2.gz OOCOEOIRFLYOSG-CHWSQXEVSA-N 0 3 330.222 2.357 20 10 EECDHN CC(C)CN1C(=O)C[C@@]2(CCCN(Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902383 1193597743 /nfs/dbraw/zinc/59/77/43/1193597743.db2.gz CYPZYSRMXKIMSW-LJQANCHMSA-N 0 3 346.427 2.095 20 10 EECDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(CCOC)C1 ZINC001034052825 1195683857 /nfs/dbraw/zinc/68/38/57/1195683857.db2.gz MFUSQTFDMGDXEM-OAHLLOKOSA-N 0 3 347.419 2.032 20 10 EECDHN CCC(=O)N1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876624264 1199696424 /nfs/dbraw/zinc/69/64/24/1199696424.db2.gz KNUSNDKJBWSMBY-UHFFFAOYSA-N 0 3 345.487 2.092 20 10 EECDHN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1[O-] ZINC001274303833 1204991718 /nfs/dbraw/zinc/99/17/18/1204991718.db2.gz NHEYLYQHUCTWTC-IAGOWNOFSA-N 0 3 332.444 2.302 20 10 EECDHN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)cccc1[O-] ZINC001274303833 1204991721 /nfs/dbraw/zinc/99/17/21/1204991721.db2.gz NHEYLYQHUCTWTC-IAGOWNOFSA-N 0 3 332.444 2.302 20 10 EECDHN CC(C)NC(=O)N1CC2(C1)CCCN(Cc1cc(O)ccc1O)C2 ZINC001275425401 1205355227 /nfs/dbraw/zinc/35/52/27/1205355227.db2.gz OMXOPBWMSQXWBN-UHFFFAOYSA-N 0 3 333.432 2.114 20 10 EECDHN CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)cc1O ZINC001275585066 1205430892 /nfs/dbraw/zinc/43/08/92/1205430892.db2.gz MRRNTEPQFXLHQY-CALCHBBNSA-N 0 3 346.475 2.225 20 10 EECDHN CN(C)S(=O)(=O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000795909978 1215164255 /nfs/dbraw/zinc/16/42/55/1215164255.db2.gz BPHHEGGYTZCJIR-UHFFFAOYSA-N 0 3 326.462 2.028 20 10 EECDHN CN(C)S(=O)(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000795909978 1215164257 /nfs/dbraw/zinc/16/42/57/1215164257.db2.gz BPHHEGGYTZCJIR-UHFFFAOYSA-N 0 3 326.462 2.028 20 10 EECDHN COC1CCN(c2ccc(CN(C)CCN3CCCC3=O)cc2)CC1 ZINC000827813686 1248791856 /nfs/dbraw/zinc/79/18/56/1248791856.db2.gz YEQFRPSCAMVTFD-UHFFFAOYSA-N 0 3 345.487 2.356 20 10 EECDHN CCCN1CC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184650 1234072745 /nfs/dbraw/zinc/07/27/45/1234072745.db2.gz CVEJPOMIIVZVNE-MRXNPFEDSA-N 0 3 332.448 2.030 20 10 EECDHN CN(Cc1ccc(I)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001235348484 1305200441 /nfs/dbraw/zinc/20/04/41/1305200441.db2.gz YSOZLZQWOIEWOO-GFCCVEGCSA-N 0 3 346.212 2.181 20 10 EECDHN COc1cc(CN2CCC(Oc3nccc(C)n3)CC2)c(O)cc1O ZINC001231640923 1303877611 /nfs/dbraw/zinc/87/76/11/1303877611.db2.gz XCTNXDOIHIKWJR-UHFFFAOYSA-N 0 3 345.399 2.248 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001231852195 1303930754 /nfs/dbraw/zinc/93/07/54/1303930754.db2.gz HZFDZWHOGSIFTO-IBGZPJMESA-N 0 3 331.460 2.396 20 10 EECDHN Cc1cc(N2CCN(Cc3ccc(N(C)C)cc3O)CC2)nc(C)n1 ZINC001232839198 1304266765 /nfs/dbraw/zinc/26/67/65/1304266765.db2.gz NFIVERDYHYNLAP-UHFFFAOYSA-N 0 3 341.459 2.187 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c1[O-] ZINC001233291317 1304419007 /nfs/dbraw/zinc/41/90/07/1304419007.db2.gz VVINJCQOHLNEPG-SMDDNHRTSA-N 0 3 338.835 2.497 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c1[O-] ZINC001233291317 1304419010 /nfs/dbraw/zinc/41/90/10/1304419010.db2.gz VVINJCQOHLNEPG-SMDDNHRTSA-N 0 3 338.835 2.497 20 10 EECDHN O=C1CC2(CN1)CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233726211 1304568066 /nfs/dbraw/zinc/56/80/66/1304568066.db2.gz AFUPJGBDKJNTLH-UHFFFAOYSA-N 0 3 344.333 2.393 20 10 EECDHN [NH3+]C1CN([C@@H]2CCCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1 ZINC001236079851 1305495543 /nfs/dbraw/zinc/49/55/43/1305495543.db2.gz SPGDKFOBUTXFOC-GFCCVEGCSA-N 0 3 330.259 2.306 20 10 EECDHN C[C@@H]1[C@H]([NH3+])CCCN1Cc1ccc(I)cc1[O-] ZINC001236421600 1305575429 /nfs/dbraw/zinc/57/54/29/1305575429.db2.gz VBSMFIKUWJCNAZ-BXKDBHETSA-N 0 3 346.212 2.308 20 10 EECDHN CCc1ccc(CN2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001236785781 1305673282 /nfs/dbraw/zinc/67/32/82/1305673282.db2.gz BNYSYOADVMNXPV-KZNAEPCWSA-N 0 3 344.455 2.070 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@@H]3CN(C(C)=O)CCO[C@@H]3C2)c([O-])c1 ZINC001236788119 1305675088 /nfs/dbraw/zinc/67/50/88/1305675088.db2.gz RHYOYAWUAGLJOL-IEBWSBKVSA-N 0 3 332.444 2.024 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@@H]3CN(C(C)=O)CCO[C@@H]3C2)c([O-])c1 ZINC001236788119 1305675097 /nfs/dbraw/zinc/67/50/97/1305675097.db2.gz RHYOYAWUAGLJOL-IEBWSBKVSA-N 0 3 332.444 2.024 20 10 EECDHN CN(C)[C@H](CNC(=O)NCc1ccc(N)cc1)Cc1ccccc1 ZINC001120570046 1309616483 /nfs/dbraw/zinc/61/64/83/1309616483.db2.gz BHBUKHZJXTVHLA-SFHVURJKSA-N 0 3 326.444 2.241 20 10 EECDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001122154572 1310231633 /nfs/dbraw/zinc/23/16/33/1310231633.db2.gz NYAGTPFDMIRXNV-KSSFIOAISA-N 0 3 333.476 2.027 20 10 EECDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001122154573 1310232103 /nfs/dbraw/zinc/23/21/03/1310232103.db2.gz NYAGTPFDMIRXNV-RDTXWAMCSA-N 0 3 333.476 2.027 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001139133645 1314709203 /nfs/dbraw/zinc/70/92/03/1314709203.db2.gz KKZUMEFUDNBCER-BBRMVZONSA-N 0 3 328.412 2.333 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001139133645 1314709206 /nfs/dbraw/zinc/70/92/06/1314709206.db2.gz KKZUMEFUDNBCER-BBRMVZONSA-N 0 3 328.412 2.333 20 10 EECDHN CCN1CCN(c2ccc(CN(C)Cc3cncnc3)cc2)CC1 ZINC001140309749 1314865239 /nfs/dbraw/zinc/86/52/39/1314865239.db2.gz SSZFZBDOVXZKOF-UHFFFAOYSA-N 0 3 325.460 2.251 20 10 EECDHN COc1cc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)ccn1 ZINC001140749987 1314955510 /nfs/dbraw/zinc/95/55/10/1314955510.db2.gz RKNRIVUMQANFSS-UHFFFAOYSA-N 0 3 329.400 2.132 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+](CCO)Cc2ccccc2)c([O-])c1 ZINC001249172313 1317016998 /nfs/dbraw/zinc/01/69/98/1317016998.db2.gz LBRGVISOFXIVTG-UHFFFAOYSA-N 0 3 329.396 2.102 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+](CCO)Cc2ccccc2)c([O-])c1 ZINC001249172313 1317017009 /nfs/dbraw/zinc/01/70/09/1317017009.db2.gz LBRGVISOFXIVTG-UHFFFAOYSA-N 0 3 329.396 2.102 20 10 EECDHN CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249214679 1317024381 /nfs/dbraw/zinc/02/43/81/1317024381.db2.gz QCBMXGFZULHVGG-INIZCTEOSA-N 0 3 349.427 2.273 20 10 EECDHN CCOC(=O)[C@H]1CCCC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249214679 1317024390 /nfs/dbraw/zinc/02/43/90/1317024390.db2.gz QCBMXGFZULHVGG-INIZCTEOSA-N 0 3 349.427 2.273 20 10 EECDHN CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249215268 1317024483 /nfs/dbraw/zinc/02/44/83/1317024483.db2.gz YXVAOFOQWJXXEY-IBGZPJMESA-N 0 3 349.427 2.273 20 10 EECDHN CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249215268 1317024490 /nfs/dbraw/zinc/02/44/90/1317024490.db2.gz YXVAOFOQWJXXEY-IBGZPJMESA-N 0 3 349.427 2.273 20 10 EECDHN O=C(NC1CCC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203552674 1321911085 /nfs/dbraw/zinc/91/10/85/1321911085.db2.gz PZQGYDTXECYWDJ-ZHALLVOQSA-N 0 3 344.455 2.288 20 10 EECDHN O=C(NC1CCC1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203552674 1321911087 /nfs/dbraw/zinc/91/10/87/1321911087.db2.gz PZQGYDTXECYWDJ-ZHALLVOQSA-N 0 3 344.455 2.288 20 10 EECDHN COc1ccc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)c([O-])c1 ZINC001203621368 1321924172 /nfs/dbraw/zinc/92/41/72/1321924172.db2.gz BWDFBNDUDKLLAF-QZTJIDSGSA-N 0 3 339.439 2.360 20 10 EECDHN O=C1OC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)c2cccnc21 ZINC001204280346 1322103238 /nfs/dbraw/zinc/10/32/38/1322103238.db2.gz JSYUOCSHROXFIA-UHFFFAOYSA-N 0 3 326.352 2.155 20 10 EECDHN N[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC001328593495 1334485232 /nfs/dbraw/zinc/48/52/32/1334485232.db2.gz JQLVMPNIAOWTSG-GOSISDBHSA-N 0 3 349.450 2.186 20 10 EECDHN CO[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001337399517 1336695797 /nfs/dbraw/zinc/69/57/97/1336695797.db2.gz HXINCGCXKZHSRA-OKZBNKHCSA-N 0 3 333.476 2.287 20 10 EECDHN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)cc1 ZINC001339395742 1336997777 /nfs/dbraw/zinc/99/77/77/1336997777.db2.gz OYYNBAYMVMGODP-IBGZPJMESA-N 0 3 343.471 2.361 20 10 EECDHN CCn1cc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001340963562 1337270265 /nfs/dbraw/zinc/27/02/65/1337270265.db2.gz AIHRUVVAWAKENJ-UHFFFAOYSA-N 0 3 331.439 2.084 20 10 EECDHN CN(C)c1ccc(CN(C)[C@@]2(CO)CCOC2)c(C(F)(F)F)c1 ZINC000862427719 1369534897 /nfs/dbraw/zinc/53/48/97/1369534897.db2.gz DNEWRZLYQMWPRZ-OAHLLOKOSA-N 0 3 332.366 2.355 20 10 EECDHN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnn2CCN(C)C)c1 ZINC000836698891 1372741967 /nfs/dbraw/zinc/74/19/67/1372741967.db2.gz BIKYZJPGJBRJEG-LBPRGKRZSA-N 0 3 347.419 2.042 20 10 EECDHN CC[C@H](C)C(=O)N1CCC[C@](CO)(NCc2ccc(OC)c(C)c2)C1 ZINC001755081858 1407095876 /nfs/dbraw/zinc/09/58/76/1407095876.db2.gz XHADBXIQELOCCM-YWZLYKJASA-N 0 3 348.487 2.493 20 10 EECDHN COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CCC(C)(C)C2)cc1C ZINC001755638446 1407699340 /nfs/dbraw/zinc/69/93/40/1407699340.db2.gz VBCZVARBSYPDCR-SJORKVTESA-N 0 3 348.487 2.397 20 10 EECDHN CS[C@@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893796730 780179991 /nfs/dbraw/zinc/17/99/91/780179991.db2.gz BCTYTFOQYYCCAA-XJKSGUPXSA-N 0 3 338.521 2.406 20 10 EECDHN C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000893968019 780349885 /nfs/dbraw/zinc/34/98/85/780349885.db2.gz MJERHAIOLSKRJY-HFTRVMKXSA-N 0 3 348.491 2.222 20 10 EECDHN COc1cc(Br)cc(C[N@H+](C)C[C@@H](O)C2CC2)c1[O-] ZINC000809752799 783362344 /nfs/dbraw/zinc/36/23/44/783362344.db2.gz WWOODACSDREHTA-GFCCVEGCSA-N 0 3 330.222 2.366 20 10 EECDHN COc1cc(Br)cc(C[N@@H+](C)C[C@@H](O)C2CC2)c1[O-] ZINC000809752799 783362353 /nfs/dbraw/zinc/36/23/53/783362353.db2.gz WWOODACSDREHTA-GFCCVEGCSA-N 0 3 330.222 2.366 20 10 EECDHN C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000817982095 785132092 /nfs/dbraw/zinc/13/20/92/785132092.db2.gz PLHGZGNRSBSEHT-ONGXEEELSA-N 0 3 347.228 2.323 20 10 EECDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)n1-c1cccc(C)c1 ZINC000818007698 785162242 /nfs/dbraw/zinc/16/22/42/785162242.db2.gz HZLOUUFUCSWKQP-QGZVFWFLSA-N 0 3 327.428 2.121 20 10 EECDHN COC(=O)c1cc(CN(C)CCN(C)c2ccc(OC)cc2)cn1C ZINC000846051351 790038005 /nfs/dbraw/zinc/03/80/05/790038005.db2.gz GHINYCTWWQFKRQ-UHFFFAOYSA-N 0 3 345.443 2.389 20 10 EECDHN C[C@@H](NCCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000132223286 798993022 /nfs/dbraw/zinc/99/30/22/798993022.db2.gz DWBUUVREDDTUKN-CYBMUJFWSA-N 0 3 339.867 2.306 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1[O-] ZINC000808708372 812816426 /nfs/dbraw/zinc/81/64/26/812816426.db2.gz LKKLQERCLUMJSH-DGCLKSJQSA-N 0 3 346.880 2.429 20 10 EECDHN COCCOC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCOCC1 ZINC000296429066 465192448 /nfs/dbraw/zinc/19/24/48/465192448.db2.gz LSZLDHXHUQEDFN-ZDUSSCGKSA-N 0 3 327.396 2.394 20 10 EECDHN CC[C@@H]1CCCCN1CCNC(=O)NCc1cccc(OC)c1O ZINC000074345960 462589234 /nfs/dbraw/zinc/58/92/34/462589234.db2.gz JBIQGFKYZCNRHM-OAHLLOKOSA-N 0 3 335.448 2.465 20 10 EECDHN COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1cc(OC)ccc1O ZINC000186356215 463981741 /nfs/dbraw/zinc/98/17/41/463981741.db2.gz FUFGELLRUWXOIO-BBRMVZONSA-N 0 3 338.448 2.229 20 10 EECDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000186356215 463981746 /nfs/dbraw/zinc/98/17/46/463981746.db2.gz FUFGELLRUWXOIO-BBRMVZONSA-N 0 3 338.448 2.229 20 10 EECDHN CCCOc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000289771584 464094051 /nfs/dbraw/zinc/09/40/51/464094051.db2.gz RGWQDXTYAXCSFU-DOTOQJQBSA-N 0 3 334.460 2.476 20 10 EECDHN CCCOc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000289771584 464094055 /nfs/dbraw/zinc/09/40/55/464094055.db2.gz RGWQDXTYAXCSFU-DOTOQJQBSA-N 0 3 334.460 2.476 20 10 EECDHN CCS(=O)(=O)NCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263676337 464149815 /nfs/dbraw/zinc/14/98/15/464149815.db2.gz LFRRBMRUWGVHNW-UHFFFAOYSA-N 0 3 348.468 2.478 20 10 EECDHN COCCNCCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000237328637 464303751 /nfs/dbraw/zinc/30/37/51/464303751.db2.gz DLNSUVRWICDHEZ-UHFFFAOYSA-N 0 3 345.443 2.069 20 10 EECDHN CN(C)c1ccc(CNCCCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000281036171 464307612 /nfs/dbraw/zinc/30/76/12/464307612.db2.gz YYQMCLVGUSBNHX-UHFFFAOYSA-N 0 3 338.395 2.296 20 10 EECDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000189170101 464449533 /nfs/dbraw/zinc/44/95/33/464449533.db2.gz ZODKTGYLTYULRJ-CQSZACIVSA-N 0 3 349.452 2.317 20 10 EECDHN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000189391929 464491844 /nfs/dbraw/zinc/49/18/44/464491844.db2.gz PLAQZHSTAAZJEC-KGLIPLIRSA-N 0 3 337.439 2.180 20 10 EECDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1C ZINC000285509104 464590345 /nfs/dbraw/zinc/59/03/45/464590345.db2.gz NHESHSYMPWXVON-GOEBONIOSA-N 0 3 340.489 2.207 20 10 EECDHN COc1cccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000285584700 464617260 /nfs/dbraw/zinc/61/72/60/464617260.db2.gz UETDCSIRNYTWNI-HNNXBMFYSA-N 0 3 333.432 2.171 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310786 464619761 /nfs/dbraw/zinc/61/97/61/464619761.db2.gz ZMBCOZKDQGXVBH-HXUWFJFHSA-N 0 3 326.440 2.461 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310786 464619765 /nfs/dbraw/zinc/61/97/65/464619765.db2.gz ZMBCOZKDQGXVBH-HXUWFJFHSA-N 0 3 326.440 2.461 20 10 EECDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cc(F)ccc1[O-] ZINC000273372606 464713136 /nfs/dbraw/zinc/71/31/36/464713136.db2.gz GKQFTVULUFDKGU-YPMHNXCESA-N 0 3 349.358 2.351 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000183407801 464860795 /nfs/dbraw/zinc/86/07/95/464860795.db2.gz JDSFBYWRTJDQOE-MRXNPFEDSA-N 0 3 341.459 2.045 20 10 EECDHN CN1CCCc2cc(CNC(=O)C3(N)Cc4ccccc4C3)ccc21 ZINC000372099420 466159496 /nfs/dbraw/zinc/15/94/96/466159496.db2.gz UONGPTMTEQUGBO-UHFFFAOYSA-N 0 3 335.451 2.182 20 10 EECDHN COC[C@H]1CCCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000372103226 466163474 /nfs/dbraw/zinc/16/34/74/466163474.db2.gz QYFNBCMRCKCIBJ-SFHVURJKSA-N 0 3 347.503 2.460 20 10 EECDHN C[C@@H]1OCC[C@]12CN(Cc1ccc(N3CCOCC3)cc1)C[C@@H](C)O2 ZINC000366150662 534212709 /nfs/dbraw/zinc/21/27/09/534212709.db2.gz DYHPNVFZGHZQBH-UWVAXJGDSA-N 0 3 346.471 2.292 20 10 EECDHN CC[C@@H](O)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000097600612 529235925 /nfs/dbraw/zinc/23/59/25/529235925.db2.gz CGNFQUFTEQVRGR-RBUKOAKNSA-N 0 3 347.503 2.336 20 10 EECDHN COC(=O)CN(Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC000775726314 577443923 /nfs/dbraw/zinc/44/39/23/577443923.db2.gz SWPTWFWOSYTQER-UHFFFAOYSA-N 0 3 345.487 2.356 20 10 EECDHN COc1ccccc1OCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440852 577555646 /nfs/dbraw/zinc/55/56/46/577555646.db2.gz AIGXEXQQKCGCJU-INIZCTEOSA-N 0 3 345.395 2.337 20 10 EECDHN COc1ccccc1OCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440852 577555647 /nfs/dbraw/zinc/55/56/47/577555647.db2.gz AIGXEXQQKCGCJU-INIZCTEOSA-N 0 3 345.395 2.337 20 10 EECDHN O=C(NCCCSc1nccs1)N[C@H]1CCN(C2CC2)C1 ZINC000759582653 577645973 /nfs/dbraw/zinc/64/59/73/577645973.db2.gz VXAVCWRBANMTED-NSHDSACASA-N 0 3 326.491 2.161 20 10 EECDHN Cc1ccc([C@@H](C)NCCS(=O)(=O)NC(C)(C)C)c(O)c1C ZINC000756484367 577844879 /nfs/dbraw/zinc/84/48/79/577844879.db2.gz VJMDRTXXQXBFJP-CYBMUJFWSA-N 0 3 328.478 2.378 20 10 EECDHN Cc1ccc(O)c([C@H](C)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000756836403 577850843 /nfs/dbraw/zinc/85/08/43/577850843.db2.gz AGKARUCANRVKDP-XEZPLFJOSA-N 0 3 328.416 2.279 20 10 EECDHN CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000757702833 577862785 /nfs/dbraw/zinc/86/27/85/577862785.db2.gz DPNDEJVYBBPKPZ-ZDUSSCGKSA-N 0 3 326.462 2.105 20 10 EECDHN C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc([O-])cs3)nc2)C1 ZINC000746310121 577925779 /nfs/dbraw/zinc/92/57/79/577925779.db2.gz OFTUPLXXMUVBHW-GFCCVEGCSA-N 0 3 332.429 2.241 20 10 EECDHN COC[C@@H](CCO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740010486 578077185 /nfs/dbraw/zinc/07/71/85/578077185.db2.gz CUGAEWKYQBWEKZ-OAHLLOKOSA-N 0 3 337.420 2.072 20 10 EECDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000741139244 578113283 /nfs/dbraw/zinc/11/32/83/578113283.db2.gz JHYINQSHIXHFTR-CALCHBBNSA-N 0 3 345.487 2.354 20 10 EECDHN C[S@](=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735084303 578132951 /nfs/dbraw/zinc/13/29/51/578132951.db2.gz FSNGIKCBCBNQOV-QFIPXVFZSA-N 0 3 325.434 2.053 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cn2)N(C)C)cc1 ZINC000891243099 676233714 /nfs/dbraw/zinc/23/37/14/676233714.db2.gz HOHQSQZNYAWNPY-GOSISDBHSA-N 0 3 344.434 2.248 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)n(C)n2)N(C)C)cc1 ZINC000891246249 676238848 /nfs/dbraw/zinc/23/88/48/676238848.db2.gz BHBZTZTXWABSIC-HNNXBMFYSA-N 0 3 349.866 2.172 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnc(F)c2F)N(C)C)cc1 ZINC000891248691 676244829 /nfs/dbraw/zinc/24/48/29/676244829.db2.gz MZXCEPMDQOAUMF-OAHLLOKOSA-N 0 3 348.397 2.459 20 10 EECDHN COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891251617 676248055 /nfs/dbraw/zinc/24/80/55/676248055.db2.gz HFBXCXKRFATROK-KRWDZBQOSA-N 0 3 342.443 2.189 20 10 EECDHN COCCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891252716 676248383 /nfs/dbraw/zinc/24/83/83/676248383.db2.gz NAAGKEXMNZBNRR-KRWDZBQOSA-N 0 3 333.476 2.288 20 10 EECDHN CO[C@@H](C)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894349865 682588714 /nfs/dbraw/zinc/58/87/14/682588714.db2.gz WAFGBWATFRKSFE-GRDNDAEWSA-N 0 3 336.480 2.078 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCOC2CCC2)N(C)C)cc1 ZINC000893312372 684633711 /nfs/dbraw/zinc/63/37/11/684633711.db2.gz PLUMVNRISVXLDO-GOSISDBHSA-N 0 3 348.491 2.224 20 10 EECDHN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000123289062 684793171 /nfs/dbraw/zinc/79/31/71/684793171.db2.gz ZWWQMHQEBZLMCX-CABCVRRESA-N 0 3 333.476 2.477 20 10 EECDHN CN(C)c1ccc([C@@H](CNCc2cn(C(C)(C)C)nn2)N(C)C)cc1 ZINC000898449878 693320187 /nfs/dbraw/zinc/32/01/87/693320187.db2.gz KWIPAHCXAMIEHN-GOSISDBHSA-N 0 3 344.507 2.492 20 10 EECDHN Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c([O-])c1 ZINC000877142165 1199868496 /nfs/dbraw/zinc/86/84/96/1199868496.db2.gz PWIBIXKWDYFKTE-UHFFFAOYSA-N 0 3 340.489 2.240 20 10 EECDHN Cc1cccc(O)c1CNCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000877565094 1199967111 /nfs/dbraw/zinc/96/71/11/1199967111.db2.gz SETXZHNYLPYVSG-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1[C@H]1CCCO1)[C@H](O)CO2 ZINC000811791104 1200333524 /nfs/dbraw/zinc/33/35/24/1200333524.db2.gz GICLRUBUFDJLGE-NUJGCVRESA-N 0 3 331.412 2.352 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)[C@H](O)CO2 ZINC000811791104 1200333531 /nfs/dbraw/zinc/33/35/31/1200333531.db2.gz GICLRUBUFDJLGE-NUJGCVRESA-N 0 3 331.412 2.352 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)[C@H](O)CO2 ZINC000811791104 1200333540 /nfs/dbraw/zinc/33/35/40/1200333540.db2.gz GICLRUBUFDJLGE-NUJGCVRESA-N 0 3 331.412 2.352 20 10 EECDHN COc1ccc(N2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)cc1F ZINC001274866205 1205195640 /nfs/dbraw/zinc/19/56/40/1205195640.db2.gz QVHPZMUJFQNZFT-IBGZPJMESA-N 0 3 349.450 2.357 20 10 EECDHN Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4cc(F)ccc4[O-])[C@@H]3C2)n(C)n1 ZINC001275913868 1205583343 /nfs/dbraw/zinc/58/33/43/1205583343.db2.gz SEFMKYDDPIFSDD-KBXCAEBGSA-N 0 3 344.434 2.280 20 10 EECDHN Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4cc(F)ccc4[O-])[C@@H]3C2)n(C)n1 ZINC001275913868 1205583344 /nfs/dbraw/zinc/58/33/44/1205583344.db2.gz SEFMKYDDPIFSDD-KBXCAEBGSA-N 0 3 344.434 2.280 20 10 EECDHN CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1[O-] ZINC001275952220 1205600353 /nfs/dbraw/zinc/60/03/53/1205600353.db2.gz ANXDHMNAYGIWNI-GOOCMWNKSA-N 0 3 333.432 2.301 20 10 EECDHN CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001275952220 1205600355 /nfs/dbraw/zinc/60/03/55/1205600355.db2.gz ANXDHMNAYGIWNI-GOOCMWNKSA-N 0 3 333.432 2.301 20 10 EECDHN [O-]c1cccc(F)c1C[N@@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001276360780 1215912352 /nfs/dbraw/zinc/91/23/52/1215912352.db2.gz WLWOQHHCABAZQP-UHFFFAOYSA-N 0 3 344.434 2.326 20 10 EECDHN [O-]c1cccc(F)c1C[N@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001276360780 1215912361 /nfs/dbraw/zinc/91/23/61/1215912361.db2.gz WLWOQHHCABAZQP-UHFFFAOYSA-N 0 3 344.434 2.326 20 10 EECDHN COc1cc(C(=O)N[C@@H]2CCCN(CC[C@@H](C)F)C2)cc(OC)n1 ZINC001007791831 1222421353 /nfs/dbraw/zinc/42/13/53/1222421353.db2.gz LRENQMHOMCFRIF-TZMCWYRMSA-N 0 3 339.411 2.041 20 10 EECDHN C[C@](O)(CNCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000853121342 1292289998 /nfs/dbraw/zinc/28/99/98/1292289998.db2.gz COUCJBIWAOQMNB-HNNXBMFYSA-N 0 3 332.366 2.051 20 10 EECDHN CC(C)CN1CCO[C@@H](CNCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858087456 1294001623 /nfs/dbraw/zinc/00/16/23/1294001623.db2.gz GDOUJCGFXVEBMN-HNNXBMFYSA-N 0 3 341.446 2.477 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2c1c(F)ccc2[O-] ZINC000858469048 1294126174 /nfs/dbraw/zinc/12/61/74/1294126174.db2.gz OEBZWWVISJWBLS-BNOWGMLFSA-N 0 3 335.423 2.009 20 10 EECDHN O=C([C@H]1CCSC12CN(Cc1ccccc1O)C2)N1CCCCO1 ZINC001277445855 1303067268 /nfs/dbraw/zinc/06/72/68/1303067268.db2.gz JJOVGMYBRKQEHM-OAHLLOKOSA-N 0 3 348.468 2.254 20 10 EECDHN CCN(CC)c1ccc(CN2CC[C@H]3C[C@]32C(=O)N(C)C)c(O)c1 ZINC001277534777 1303832792 /nfs/dbraw/zinc/83/27/92/1303832792.db2.gz YGCLOLOETMNWPR-HNAYVOBHSA-N 0 3 331.460 2.291 20 10 EECDHN C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000783505659 1304289608 /nfs/dbraw/zinc/28/96/08/1304289608.db2.gz VOYRJRIOMMZJNU-AWEZNQCLSA-N 0 3 334.441 2.162 20 10 EECDHN Cc1cc(Br)cc(CN2CC[C@](C)(CO)[C@H](O)C2)c1O ZINC001233106500 1304361443 /nfs/dbraw/zinc/36/14/43/1304361443.db2.gz IHIFWWMKLHNMMJ-UKRRQHHQSA-N 0 3 344.249 2.028 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@](C)(CO)[C@@H](O)C3)c2c1 ZINC001234525226 1304953101 /nfs/dbraw/zinc/95/31/01/1304953101.db2.gz CVQBUFPOTHTWNX-RBUKOAKNSA-N 0 3 331.412 2.119 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@](C)(CO)[C@@H](O)C3)c2c1 ZINC001234525226 1304953103 /nfs/dbraw/zinc/95/31/03/1304953103.db2.gz CVQBUFPOTHTWNX-RBUKOAKNSA-N 0 3 331.412 2.119 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(Br)c1 ZINC001235901343 1305440268 /nfs/dbraw/zinc/44/02/68/1305440268.db2.gz KKYFLZCLEDXLQP-AOOOYVTPSA-N 0 3 329.238 2.346 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1Br ZINC001235997723 1305471321 /nfs/dbraw/zinc/47/13/21/1305471321.db2.gz ZHMHPEBDKVNXAI-HZMBPMFUSA-N 0 3 327.222 2.086 20 10 EECDHN C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc(I)cc1[O-] ZINC001236102745 1305501271 /nfs/dbraw/zinc/50/12/71/1305501271.db2.gz MBWIZYZRNNRRTF-NXEZZACHSA-N 0 3 346.212 2.179 20 10 EECDHN CCc1ccc(C[N@H+](CCOC)C2CCN(C(C)=O)CC2)c([O-])c1 ZINC001236786735 1305675153 /nfs/dbraw/zinc/67/51/53/1305675153.db2.gz HOKUDRQXIUEHFM-UHFFFAOYSA-N 0 3 334.460 2.414 20 10 EECDHN CCc1ccc(C[N@@H+](CCOC)C2CCN(C(C)=O)CC2)c([O-])c1 ZINC001236786735 1305675165 /nfs/dbraw/zinc/67/51/65/1305675165.db2.gz HOKUDRQXIUEHFM-UHFFFAOYSA-N 0 3 334.460 2.414 20 10 EECDHN CCc1ccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c(O)c1 ZINC001236791056 1305678004 /nfs/dbraw/zinc/67/80/04/1305678004.db2.gz CDNRGICOGTZCJY-KRWDZBQOSA-N 0 3 332.444 2.168 20 10 EECDHN CCOc1ccc(CN2CCC[C@H](NC(=O)NC(C)C)C2)c(O)c1 ZINC001237048151 1305777491 /nfs/dbraw/zinc/77/74/91/1305777491.db2.gz QFKGGEBPXZFNKQ-HNNXBMFYSA-N 0 3 335.448 2.463 20 10 EECDHN CC(C)c1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)CCN3C)c([O-])c1 ZINC001237048319 1305777913 /nfs/dbraw/zinc/77/79/13/1305777913.db2.gz JVABZLBXIANWDW-UHFFFAOYSA-N 0 3 345.487 2.254 20 10 EECDHN O=C1NCC[C@@]12CC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237118604 1305802813 /nfs/dbraw/zinc/80/28/13/1305802813.db2.gz YYTNIQDLLSBSMH-AWEZNQCLSA-N 0 3 330.306 2.003 20 10 EECDHN O=C1NCC[C@@]12CC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237118604 1305802823 /nfs/dbraw/zinc/80/28/23/1305802823.db2.gz YYTNIQDLLSBSMH-AWEZNQCLSA-N 0 3 330.306 2.003 20 10 EECDHN Cc1cccc(O)c1CN1C[C@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001237481102 1305953286 /nfs/dbraw/zinc/95/32/86/1305953286.db2.gz CFZWJIPTOMYDCN-UONOGXRCSA-N 0 3 336.432 2.161 20 10 EECDHN COCCN1CC[C@@]2(CCC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001237486164 1305954032 /nfs/dbraw/zinc/95/40/32/1305954032.db2.gz OQVNBFZDBRFWAT-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN COCCN1CC[C@@]2(CCC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001237486164 1305954037 /nfs/dbraw/zinc/95/40/37/1305954037.db2.gz OQVNBFZDBRFWAT-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001237486143 1305954785 /nfs/dbraw/zinc/95/47/85/1305954785.db2.gz ONZAWLKYSRZYPZ-QGPMSJSTSA-N 0 3 332.444 2.016 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001237486143 1305954787 /nfs/dbraw/zinc/95/47/87/1305954787.db2.gz ONZAWLKYSRZYPZ-QGPMSJSTSA-N 0 3 332.444 2.016 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001237489009 1305955936 /nfs/dbraw/zinc/95/59/36/1305955936.db2.gz UFNHYRXOHQMUEU-IBGZPJMESA-N 0 3 340.427 2.063 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001237489009 1305955940 /nfs/dbraw/zinc/95/59/40/1305955940.db2.gz UFNHYRXOHQMUEU-IBGZPJMESA-N 0 3 340.427 2.063 20 10 EECDHN COc1cc(CN2CC[C@@H](Oc3ncc(C)cn3)C2)c(O)c(OC)c1 ZINC001237682673 1306044431 /nfs/dbraw/zinc/04/44/31/1306044431.db2.gz CDXLYMNWBHOREU-CQSZACIVSA-N 0 3 345.399 2.161 20 10 EECDHN COc1cc(CN2CCC[C@@H](Oc3ncccn3)C2)c(O)c(OC)c1 ZINC001237684128 1306046520 /nfs/dbraw/zinc/04/65/20/1306046520.db2.gz MQJFDIQIVXEXAE-CQSZACIVSA-N 0 3 345.399 2.243 20 10 EECDHN CN(Cc1cccc(I)c1[O-])[C@@H]1CC[N@H+](C)C1 ZINC001237781210 1306087947 /nfs/dbraw/zinc/08/79/47/1306087947.db2.gz UKZODHCCUIDVPY-LLVKDONJSA-N 0 3 346.212 2.133 20 10 EECDHN CN(Cc1cccc(I)c1[O-])[C@@H]1CC[N@@H+](C)C1 ZINC001237781210 1306087959 /nfs/dbraw/zinc/08/79/59/1306087959.db2.gz UKZODHCCUIDVPY-LLVKDONJSA-N 0 3 346.212 2.133 20 10 EECDHN c1nnc(CN2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)[nH]1 ZINC001119516261 1309096002 /nfs/dbraw/zinc/09/60/02/1309096002.db2.gz SOZWSUITSWTCLF-UHFFFAOYSA-N 0 3 340.475 2.113 20 10 EECDHN O[C@]1(CF)CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660268 1314923400 /nfs/dbraw/zinc/92/34/00/1314923400.db2.gz MBLJSJXTBPBBAK-GOSISDBHSA-N 0 3 340.414 2.349 20 10 EECDHN Cc1ccc(CN2CCC(N3CCCCS3(=O)=O)CC2)c(O)c1 ZINC001140954120 1314995821 /nfs/dbraw/zinc/99/58/21/1314995821.db2.gz MIOZEDCKRFHVPJ-UHFFFAOYSA-N 0 3 338.473 2.091 20 10 EECDHN COC[C@]1(CNCc2cccc(Br)c2[O-])CCC[NH2+]1 ZINC000841066706 1315466009 /nfs/dbraw/zinc/46/60/09/1315466009.db2.gz FJQYJQDOWZVKFX-CQSZACIVSA-N 0 3 329.238 2.013 20 10 EECDHN COC[C@]1(C[NH2+]Cc2cccc(Br)c2[O-])CCCN1 ZINC000841066706 1315466013 /nfs/dbraw/zinc/46/60/13/1315466013.db2.gz FJQYJQDOWZVKFX-CQSZACIVSA-N 0 3 329.238 2.013 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c([O-])c1 ZINC001249207373 1317022590 /nfs/dbraw/zinc/02/25/90/1317022590.db2.gz FBBQCRUDISROQY-UHFFFAOYSA-N 0 3 343.379 2.468 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c([O-])c1 ZINC001249207373 1317022596 /nfs/dbraw/zinc/02/25/96/1317022596.db2.gz FBBQCRUDISROQY-UHFFFAOYSA-N 0 3 343.379 2.468 20 10 EECDHN CN1C[C@@H]2C[N@H+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@@H]2C1=O ZINC001249237499 1317031484 /nfs/dbraw/zinc/03/14/84/1317031484.db2.gz FXEIXCWRZLPXRC-HIFRSBDPSA-N 0 3 328.412 2.096 20 10 EECDHN CN1C[C@@H]2C[N@@H+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@@H]2C1=O ZINC001249237499 1317031494 /nfs/dbraw/zinc/03/14/94/1317031494.db2.gz FXEIXCWRZLPXRC-HIFRSBDPSA-N 0 3 328.412 2.096 20 10 EECDHN COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@@H]21 ZINC001249252504 1317036596 /nfs/dbraw/zinc/03/65/96/1317036596.db2.gz MBLBCKCPOYHZDX-FOLVSLTJSA-N 0 3 329.396 2.427 20 10 EECDHN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@@H]21 ZINC001249252504 1317036604 /nfs/dbraw/zinc/03/66/04/1317036604.db2.gz MBLBCKCPOYHZDX-FOLVSLTJSA-N 0 3 329.396 2.427 20 10 EECDHN CC(C)(C)OC(=O)[C@@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC001253698140 1317916996 /nfs/dbraw/zinc/91/69/96/1317916996.db2.gz FOJBGPXUSYMLAZ-KRWDZBQOSA-N 0 3 334.460 2.469 20 10 EECDHN O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001258638578 1319315763 /nfs/dbraw/zinc/31/57/63/1319315763.db2.gz RWLOKRXUZDINJR-UHFFFAOYSA-N 0 3 326.396 2.492 20 10 EECDHN O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21)N1CCCC1 ZINC001203551724 1321910639 /nfs/dbraw/zinc/91/06/39/1321910639.db2.gz LPIJBDLIEWJNHN-KURKYZTESA-N 0 3 344.455 2.099 20 10 EECDHN O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21)N1CCCC1 ZINC001203551724 1321910641 /nfs/dbraw/zinc/91/06/41/1321910641.db2.gz LPIJBDLIEWJNHN-KURKYZTESA-N 0 3 344.455 2.099 20 10 EECDHN CC(C)(C)OC(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203875137 1321979706 /nfs/dbraw/zinc/97/97/06/1321979706.db2.gz IBLVUIDSKGFCCT-ZSOGYDGISA-N 0 3 334.416 2.300 20 10 EECDHN COc1cc(Cl)cc(CN2CCC[C@]3(CN(C)CCO3)C2)c1O ZINC001276449134 1322083912 /nfs/dbraw/zinc/08/39/12/1322083912.db2.gz YEKDGZHFGOGOIK-KRWDZBQOSA-N 0 3 340.851 2.351 20 10 EECDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001204274018 1322100198 /nfs/dbraw/zinc/10/01/98/1322100198.db2.gz YOLMDTYYZZGGQV-HNNXBMFYSA-N 0 3 341.411 2.427 20 10 EECDHN CCc1cccc(CNCc2cccc(N3CCOCC3)n2)c1O ZINC000848904452 1338801331 /nfs/dbraw/zinc/80/13/31/1338801331.db2.gz UIMHOAUWYKEMLT-UHFFFAOYSA-N 0 3 327.428 2.476 20 10 EECDHN c1cc(-c2nnn[n-]2)cc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001593565712 1349852848 /nfs/dbraw/zinc/85/28/48/1349852848.db2.gz TYKVCFPAHCNCLD-SFHVURJKSA-N 0 3 347.422 2.449 20 10 EECDHN c1cc(-c2nn[n-]n2)cc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001593565712 1349852851 /nfs/dbraw/zinc/85/28/51/1349852851.db2.gz TYKVCFPAHCNCLD-SFHVURJKSA-N 0 3 347.422 2.449 20 10 EECDHN OC[C@@H]1CN(Cc2c(O)cccc2F)CCN1Cc1ccccc1 ZINC001137832002 1372279596 /nfs/dbraw/zinc/27/95/96/1372279596.db2.gz WOVFAKQYLGAWNX-INIZCTEOSA-N 0 3 330.403 2.210 20 10 EECDHN CC(C)CN1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140665054 1372629514 /nfs/dbraw/zinc/62/95/14/1372629514.db2.gz BQQCLQWVYFEANT-UHFFFAOYSA-N 0 3 335.467 2.436 20 10 EECDHN COCC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000172072176 791533388 /nfs/dbraw/zinc/53/33/88/791533388.db2.gz KTIXRRBVKTXMIT-CQSZACIVSA-N 0 3 348.237 2.040 20 10 EECDHN CN(C)c1ccc(CN[C@H]2CCCN(C)C2=O)c(C(F)(F)F)c1 ZINC000793009464 810103637 /nfs/dbraw/zinc/10/36/37/810103637.db2.gz RXRSMMPSCRJTRF-AWEZNQCLSA-N 0 3 329.366 2.482 20 10 EECDHN CCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000110609702 463660159 /nfs/dbraw/zinc/66/01/59/463660159.db2.gz ZDYWLWGFPVMUJU-QPGLYAHGSA-N 0 3 343.471 2.137 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000194454376 463865716 /nfs/dbraw/zinc/86/57/16/463865716.db2.gz QMUNGCKARGGRBE-ZDUSSCGKSA-N 0 3 334.441 2.241 20 10 EECDHN CC[NH+](CC)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278330301 463963618 /nfs/dbraw/zinc/96/36/18/463963618.db2.gz ZDQCTSLSOGLRFQ-ZDUSSCGKSA-N 0 3 337.420 2.473 20 10 EECDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(OC)ccc2O)C1 ZINC000289661837 464089399 /nfs/dbraw/zinc/08/93/99/464089399.db2.gz NETIIBZBZUKYGP-CQSZACIVSA-N 0 3 333.306 2.328 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@](CO)(c3ccccc3)C1)OCO2 ZINC000291243670 464148145 /nfs/dbraw/zinc/14/81/45/464148145.db2.gz LLKCMEXFSZUHRF-IBGZPJMESA-N 0 3 327.380 2.257 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@](CO)(c3ccccc3)C1)OCO2 ZINC000291243670 464148147 /nfs/dbraw/zinc/14/81/47/464148147.db2.gz LLKCMEXFSZUHRF-IBGZPJMESA-N 0 3 327.380 2.257 20 10 EECDHN COc1ccc(N2CCCN(C(=O)C3(N)CCCCC3)CC2)cc1 ZINC000237263291 464292566 /nfs/dbraw/zinc/29/25/66/464292566.db2.gz SRSVDEFZESOOTO-UHFFFAOYSA-N 0 3 331.460 2.396 20 10 EECDHN CCN1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264735784 464443911 /nfs/dbraw/zinc/44/39/11/464443911.db2.gz ITOPYTSMWFAXMK-RMKNXTFCSA-N 0 3 343.471 2.091 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CC2([S@](C)=O)CC2)c1[O-] ZINC000281825380 464599557 /nfs/dbraw/zinc/59/95/57/464599557.db2.gz RKXRWWGFHVLNMI-SFHVURJKSA-N 0 3 332.263 2.464 20 10 EECDHN CCOc1cccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1[O-] ZINC000285558599 464608458 /nfs/dbraw/zinc/60/84/58/464608458.db2.gz SHDKLDQVCWQWNR-UHFFFAOYSA-N 0 3 327.446 2.238 20 10 EECDHN CCOc1cccc(CNCC2(S(C)(=O)=O)CCCC2)c1O ZINC000285558599 464608463 /nfs/dbraw/zinc/60/84/63/464608463.db2.gz SHDKLDQVCWQWNR-UHFFFAOYSA-N 0 3 327.446 2.238 20 10 EECDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)[C@H]2C1 ZINC000272570975 464663925 /nfs/dbraw/zinc/66/39/25/464663925.db2.gz LDPWSVMSSWMBLX-HKUYNNGSSA-N 0 3 340.471 2.298 20 10 EECDHN COc1cc(Cl)cc(CN2CCC(CNC(C)=O)CC2)c1O ZINC000273693173 464723951 /nfs/dbraw/zinc/72/39/51/464723951.db2.gz BVIYRXQSHKXYPP-UHFFFAOYSA-N 0 3 326.824 2.402 20 10 EECDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000282487548 464836604 /nfs/dbraw/zinc/83/66/04/464836604.db2.gz XGNWFGGKVRIXHG-QMTHXVAHSA-N 0 3 329.366 2.386 20 10 EECDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000268144667 464952288 /nfs/dbraw/zinc/95/22/88/464952288.db2.gz UVRVZMXSVGHNBJ-WBMJQRKESA-N 0 3 334.439 2.174 20 10 EECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCN(C2CC2)CC1 ZINC000192638591 464965731 /nfs/dbraw/zinc/96/57/31/464965731.db2.gz UEWCIXGLTRPPHL-UHFFFAOYSA-N 0 3 329.444 2.352 20 10 EECDHN CC[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000366459121 465740747 /nfs/dbraw/zinc/74/07/47/465740747.db2.gz WKERLSNCXCOPGH-PKOBYXMFSA-N 0 3 347.503 2.148 20 10 EECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CNCc2ccccc21 ZINC000577853263 468192419 /nfs/dbraw/zinc/19/24/19/468192419.db2.gz AXIAIDRVMAGQGF-QGZVFWFLSA-N 0 3 337.423 2.365 20 10 EECDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000101904730 527512587 /nfs/dbraw/zinc/51/25/87/527512587.db2.gz KVNNAHBFXNUCLW-ZDUSSCGKSA-N 0 3 334.416 2.105 20 10 EECDHN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000101904730 527512592 /nfs/dbraw/zinc/51/25/92/527512592.db2.gz KVNNAHBFXNUCLW-ZDUSSCGKSA-N 0 3 334.416 2.105 20 10 EECDHN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000101904730 527512596 /nfs/dbraw/zinc/51/25/96/527512596.db2.gz KVNNAHBFXNUCLW-ZDUSSCGKSA-N 0 3 334.416 2.105 20 10 EECDHN CCOc1cccc(CNCc2cccc(OCC(=O)NC)c2)c1O ZINC000725847269 576066690 /nfs/dbraw/zinc/06/66/90/576066690.db2.gz XEYIZFLFRVXBEC-UHFFFAOYSA-N 0 3 344.411 2.206 20 10 EECDHN CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000734557782 577307491 /nfs/dbraw/zinc/30/74/91/577307491.db2.gz JFWWOHYXDUAZKS-JSGCOSHPSA-N 0 3 326.462 2.321 20 10 EECDHN CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000734557782 577307492 /nfs/dbraw/zinc/30/74/92/577307492.db2.gz JFWWOHYXDUAZKS-JSGCOSHPSA-N 0 3 326.462 2.321 20 10 EECDHN Cc1cc(O)c(CN(CCO)CCNC(=O)OC(C)(C)C)cc1C ZINC000768534392 577557999 /nfs/dbraw/zinc/55/79/99/577557999.db2.gz FIZJPQRMOCUTGE-UHFFFAOYSA-N 0 3 338.448 2.328 20 10 EECDHN CCOc1cccc(CN(CCC(=O)OC)C[C@H]2CCCO2)c1O ZINC000769446472 577578051 /nfs/dbraw/zinc/57/80/51/577578051.db2.gz QMQDZVULXBJNBT-OAHLLOKOSA-N 0 3 337.416 2.335 20 10 EECDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769567790 577580637 /nfs/dbraw/zinc/58/06/37/577580637.db2.gz CBRASABEFOZSGY-AWEZNQCLSA-N 0 3 348.447 2.399 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756389187 577843208 /nfs/dbraw/zinc/84/32/08/577843208.db2.gz AZZHHKGPUTVTQT-MFKMUULPSA-N 0 3 342.436 2.093 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756550088 577846471 /nfs/dbraw/zinc/84/64/71/577846471.db2.gz QBDWIOQXDCALCR-CYBMUJFWSA-N 0 3 327.419 2.349 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)N(C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756565503 577846972 /nfs/dbraw/zinc/84/69/72/577846972.db2.gz XECBVXNFAGZKTM-IUODEOHRSA-N 0 3 349.450 2.222 20 10 EECDHN COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826210304 608500311 /nfs/dbraw/zinc/50/03/11/608500311.db2.gz MAFUXXRCUDEPSX-NSHDSACASA-N 0 3 325.372 2.432 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C3CC3)c2)N(C)C)cc1 ZINC000891247325 676241769 /nfs/dbraw/zinc/24/17/69/676241769.db2.gz UFHJABYBROSKAV-GOSISDBHSA-N 0 3 341.459 2.317 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cn(C)nc2Cl)N(C)C)cc1 ZINC000891249756 676244561 /nfs/dbraw/zinc/24/45/61/676244561.db2.gz SIZGWTKPTDEQRU-HNNXBMFYSA-N 0 3 349.866 2.172 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CCCn2cccn2)N(C)C)cc1 ZINC000891256519 676252405 /nfs/dbraw/zinc/25/24/05/676252405.db2.gz YXKXDHQTDRQUFH-SFHVURJKSA-N 0 3 343.475 2.148 20 10 EECDHN COC[C@@H](C)N1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340761 681185651 /nfs/dbraw/zinc/18/56/51/681185651.db2.gz XAIKRZAYWMPFKM-DOMZBBRYSA-N 0 3 347.419 2.078 20 10 EECDHN COc1cc(C)cc(CNCc2ccc(S(C)(=O)=O)cc2)c1O ZINC000894206627 681232469 /nfs/dbraw/zinc/23/24/69/681232469.db2.gz KLGWERRERZHEGB-UHFFFAOYSA-N 0 3 335.425 2.403 20 10 EECDHN CC[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC000894974529 683444961 /nfs/dbraw/zinc/44/49/61/683444961.db2.gz HGXXQVANUWDLAW-DLBZAZTESA-N 0 3 336.480 2.080 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CCSCC2)N(C)C)cc1 ZINC000899103196 693607092 /nfs/dbraw/zinc/60/70/92/693607092.db2.gz XLJVGFDLTKIBPR-INIZCTEOSA-N 0 3 336.505 2.114 20 10 EECDHN Cc1cc(N2CCN(Cc3cc(F)c(F)cc3O)CC2)nc(C)n1 ZINC001142520387 1188215365 /nfs/dbraw/zinc/21/53/65/1188215365.db2.gz HWFOYVUVXPOKGO-UHFFFAOYSA-N 0 3 334.370 2.399 20 10 EECDHN COCCCN1CC[C@@]2(CCCN2Cc2ccc(OC)cc2O)C1=O ZINC001272626504 1190938202 /nfs/dbraw/zinc/93/82/02/1190938202.db2.gz ZJFBZKPXPGQEKJ-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272626504 1190938205 /nfs/dbraw/zinc/93/82/05/1190938205.db2.gz ZJFBZKPXPGQEKJ-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN COCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272626504 1190938208 /nfs/dbraw/zinc/93/82/08/1190938208.db2.gz ZJFBZKPXPGQEKJ-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN CC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000794791866 1197998181 /nfs/dbraw/zinc/99/81/81/1197998181.db2.gz JTTFCTBGDSDQNQ-HNNXBMFYSA-N 0 3 326.462 2.165 20 10 EECDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000876731008 1199744548 /nfs/dbraw/zinc/74/45/48/1199744548.db2.gz NUMBZVWBMJHNGU-MRXNPFEDSA-N 0 3 337.439 2.042 20 10 EECDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)CCC(C)C)C2)cc1 ZINC000876931841 1199821807 /nfs/dbraw/zinc/82/18/07/1199821807.db2.gz XBAUJUNRXPJRQF-CRAIPNDOSA-N 0 3 333.476 2.401 20 10 EECDHN COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC001274302985 1204991305 /nfs/dbraw/zinc/99/13/05/1204991305.db2.gz AKRWGMKDIMSKDU-KRWDZBQOSA-N 0 3 346.471 2.455 20 10 EECDHN COC1(CC(=O)N2CC3(CN(Cc4cccc(C)c4O)C3)C2)CCC1 ZINC001276078306 1205762163 /nfs/dbraw/zinc/76/21/63/1205762163.db2.gz NAVNEJJXIXBFHL-UHFFFAOYSA-N 0 3 344.455 2.304 20 10 EECDHN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000795643248 1214575494 /nfs/dbraw/zinc/57/54/94/1214575494.db2.gz BEOGGJASXXANHO-KRWDZBQOSA-N 0 3 344.367 2.401 20 10 EECDHN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000795643248 1214575500 /nfs/dbraw/zinc/57/55/00/1214575500.db2.gz BEOGGJASXXANHO-KRWDZBQOSA-N 0 3 344.367 2.401 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@H](CC3CC3)C2=O)N(C)C)cc1 ZINC000900185563 1234073745 /nfs/dbraw/zinc/07/37/45/1234073745.db2.gz OTOQYUIFMFDSCT-IAGOWNOFSA-N 0 3 344.459 2.076 20 10 EECDHN Cc1cc(CN2CCN(C[C@H](C)O)CC2)ccc1N1CCCCC1 ZINC000827667922 1248626485 /nfs/dbraw/zinc/62/64/85/1248626485.db2.gz NJGMPHYJJZEUTI-SFHVURJKSA-N 0 3 331.504 2.484 20 10 EECDHN CN(C)c1cc(F)c(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000858143483 1294021043 /nfs/dbraw/zinc/02/10/43/1294021043.db2.gz ZKJGCQJXXYRTRN-STQMWFEESA-N 0 3 346.443 2.476 20 10 EECDHN O=C1c2cccc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c2C(=O)c2cccc([O-])c21 ZINC001218148434 1297583648 /nfs/dbraw/zinc/58/36/48/1297583648.db2.gz XTONYJIBOVBTOB-CGEVSNMPSA-N 0 3 335.359 2.154 20 10 EECDHN COc1cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c([O-])cc1Br ZINC001276790897 1297733780 /nfs/dbraw/zinc/73/37/80/1297733780.db2.gz WRFXBMKPJLPPTL-GXFFZTMASA-N 0 3 341.249 2.299 20 10 EECDHN COc1cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c([O-])cc1Br ZINC001276790897 1297733785 /nfs/dbraw/zinc/73/37/85/1297733785.db2.gz WRFXBMKPJLPPTL-GXFFZTMASA-N 0 3 341.249 2.299 20 10 EECDHN COC(=O)[C@@H]1CNCCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001222421134 1299564529 /nfs/dbraw/zinc/56/45/29/1299564529.db2.gz IZVDFTKLCYOFCN-AWEZNQCLSA-N 0 3 340.851 2.290 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C)cc1Br ZINC001276866771 1299989100 /nfs/dbraw/zinc/98/91/00/1299989100.db2.gz VELUOCREMBZWSS-STQMWFEESA-N 0 3 341.249 2.442 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)cc1Br ZINC001276866771 1299989108 /nfs/dbraw/zinc/98/91/08/1299989108.db2.gz VELUOCREMBZWSS-STQMWFEESA-N 0 3 341.249 2.442 20 10 EECDHN COc1ccc(N2C[C@H]3CC[C@@H](C2)N3CCn2ccnc2)c(OC)c1 ZINC001276995132 1300727745 /nfs/dbraw/zinc/72/77/45/1300727745.db2.gz XIADTNKKSWITOQ-IYBDPMFKSA-N 0 3 342.443 2.254 20 10 EECDHN Cc1cccc(CN2C[C@H](NC(=O)OC(C)(C)C)C[C@H](O)C2)c1O ZINC001231590793 1303857554 /nfs/dbraw/zinc/85/75/54/1303857554.db2.gz HZVAWBUEGDGDLQ-CABCVRRESA-N 0 3 336.432 2.161 20 10 EECDHN COC(=O)c1c(CN2CCN(CC3CC3)CC2)c2ccccc2n1C ZINC001232407039 1304110304 /nfs/dbraw/zinc/11/03/04/1304110304.db2.gz KHUQSHXPJFPMDQ-UHFFFAOYSA-N 0 3 341.455 2.493 20 10 EECDHN CN(C)c1ccc(CN2CCCN(C(=O)C3CCC3)CC2)c(O)c1 ZINC001232838416 1304265658 /nfs/dbraw/zinc/26/56/58/1304265658.db2.gz FBIUBSJMTVJCGR-UHFFFAOYSA-N 0 3 331.460 2.293 20 10 EECDHN C[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccccc1[O-] ZINC000783505204 1304289810 /nfs/dbraw/zinc/28/98/10/1304289810.db2.gz GBBJJJBNHUUSDF-CWTRNNRKSA-N 0 3 339.395 2.298 20 10 EECDHN Oc1cc(O)c(CN2CCCN(c3ccc(F)cn3)CC2)cc1O ZINC001233482649 1304476584 /nfs/dbraw/zinc/47/65/84/1304476584.db2.gz XCCDCQIGRDYZSR-UHFFFAOYSA-N 0 3 333.363 2.050 20 10 EECDHN COC(=O)CCN(Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233485274 1304477801 /nfs/dbraw/zinc/47/78/01/1304477801.db2.gz OYIYSSTZIRYASM-UHFFFAOYSA-N 0 3 331.368 2.369 20 10 EECDHN COC[C@]12COC[C@H]1C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233755867 1304579162 /nfs/dbraw/zinc/57/91/62/1304579162.db2.gz ZTIHTRFZGNXQPB-IUODEOHRSA-N 0 3 347.333 2.386 20 10 EECDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233755867 1304579166 /nfs/dbraw/zinc/57/91/66/1304579166.db2.gz ZTIHTRFZGNXQPB-IUODEOHRSA-N 0 3 347.333 2.386 20 10 EECDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(NC(N)=O)CC3)c2c1 ZINC001234519250 1304951150 /nfs/dbraw/zinc/95/11/50/1304951150.db2.gz UMYAASGKWDDYFP-UHFFFAOYSA-N 0 3 329.400 2.187 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCN4CCOC[C@@H]4C3)c2c1 ZINC001234525955 1304953259 /nfs/dbraw/zinc/95/32/59/1304953259.db2.gz NZYCESTVIRGFIW-HNNXBMFYSA-N 0 3 328.412 2.070 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CCN4CCOC[C@@H]4C3)c2c1 ZINC001234525955 1304953260 /nfs/dbraw/zinc/95/32/60/1304953260.db2.gz NZYCESTVIRGFIW-HNNXBMFYSA-N 0 3 328.412 2.070 20 10 EECDHN CC[C@@H]1C[NH2+]CCN1Cc1c([O-])cc(OC)cc1Br ZINC001235770619 1305376473 /nfs/dbraw/zinc/37/64/73/1305376473.db2.gz ALHINERRZFCSFR-SNVBAGLBSA-N 0 3 329.238 2.347 20 10 EECDHN COCCN(Cc1cc(C)c(Br)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001236335617 1305562592 /nfs/dbraw/zinc/56/25/92/1305562592.db2.gz QFBUJEXEQOUWOW-ZDUSSCGKSA-N 0 3 343.265 2.273 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3C(C)=O)c([O-])c1 ZINC001236785567 1305674243 /nfs/dbraw/zinc/67/42/43/1305674243.db2.gz KWMVNIWZUWUYAR-MJGOQNOKSA-N 0 3 332.444 2.166 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCCN3C(C)=O)c([O-])c1 ZINC001236785567 1305674252 /nfs/dbraw/zinc/67/42/52/1305674252.db2.gz KWMVNIWZUWUYAR-MJGOQNOKSA-N 0 3 332.444 2.166 20 10 EECDHN CCc1ccc(CN2CC[C@@H]3[C@H]2CC(=O)N3c2cnn(C)c2)c(O)c1 ZINC001236787303 1305675986 /nfs/dbraw/zinc/67/59/86/1305675986.db2.gz KINCYRXJHWCFLW-IAGOWNOFSA-N 0 3 340.427 2.068 20 10 EECDHN CC(=O)NC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237051268 1305779298 /nfs/dbraw/zinc/77/92/98/1305779298.db2.gz JFUISROLTQSSKW-UHFFFAOYSA-N 0 3 346.349 2.434 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584025 1317473421 /nfs/dbraw/zinc/47/34/21/1317473421.db2.gz QLDLZEMGTJGMJC-LLVKDONJSA-N 0 3 325.302 2.102 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584025 1317473425 /nfs/dbraw/zinc/47/34/25/1317473425.db2.gz QLDLZEMGTJGMJC-LLVKDONJSA-N 0 3 325.302 2.102 20 10 EECDHN Oc1cccc2c1CN(Cc1ccc(N3CCOCC3)nc1)CC2 ZINC001139434700 1314744028 /nfs/dbraw/zinc/74/40/28/1314744028.db2.gz JQCWDWICNOXZQV-UHFFFAOYSA-N 0 3 325.412 2.182 20 10 EECDHN CCN1CCN(c2ccc(CN(C)Cc3ccncn3)cc2)CC1 ZINC001140309921 1314865481 /nfs/dbraw/zinc/86/54/81/1314865481.db2.gz ZXQBNSANRZPOJH-UHFFFAOYSA-N 0 3 325.460 2.251 20 10 EECDHN COc1cc(O)c(CN2CCC[C@]3(CCCC(=O)N3)C2)c(OC)c1 ZINC001141034742 1315021751 /nfs/dbraw/zinc/02/17/51/1315021751.db2.gz OQIDKYPBXINABF-GOSISDBHSA-N 0 3 334.416 2.044 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c(OC)c1 ZINC001141034742 1315021754 /nfs/dbraw/zinc/02/17/54/1315021754.db2.gz OQIDKYPBXINABF-GOSISDBHSA-N 0 3 334.416 2.044 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c(OC)c1 ZINC001141034742 1315021757 /nfs/dbraw/zinc/02/17/57/1315021757.db2.gz OQIDKYPBXINABF-GOSISDBHSA-N 0 3 334.416 2.044 20 10 EECDHN CCOc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c([O-])c1 ZINC000840976035 1315450545 /nfs/dbraw/zinc/45/05/45/1315450545.db2.gz UNAHJOYBQXIQQS-UHFFFAOYSA-N 0 3 327.446 2.095 20 10 EECDHN O=C(c1ccccc1)N1C[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203877941 1321980563 /nfs/dbraw/zinc/98/05/63/1321980563.db2.gz LSISJNCAWJXDNK-IRXDYDNUSA-N 0 3 338.407 2.302 20 10 EECDHN CCNC(=O)CO[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321057 1322111854 /nfs/dbraw/zinc/11/18/54/1322111854.db2.gz FVQSSVLERIJTRR-LJQANCHMSA-N 0 3 345.487 2.404 20 10 EECDHN COc1cc(Br)cc(CN2CCN3CC[C@H]3C2)c1O ZINC001204340705 1322116243 /nfs/dbraw/zinc/11/62/43/1322116243.db2.gz ZMDMTTZGMOFLAW-LBPRGKRZSA-N 0 3 327.222 2.053 20 10 EECDHN Cc1ncc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001262372798 1322289714 /nfs/dbraw/zinc/28/97/14/1322289714.db2.gz BTXWLACZEUUGBX-KRWDZBQOSA-N 0 3 345.447 2.151 20 10 EECDHN Cc1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC001340542531 1337204629 /nfs/dbraw/zinc/20/46/29/1337204629.db2.gz ZCBUFZMKCVMKJM-KRWDZBQOSA-N 0 3 345.447 2.151 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c(OC)c1 ZINC001272815456 1367604443 /nfs/dbraw/zinc/60/44/43/1367604443.db2.gz LPPXRFYGZISTOP-UHFFFAOYSA-N 0 3 348.443 2.244 20 10 EECDHN C[C@H](CN1CCOCC1)N(C)Cc1c(O)cccc1Br ZINC000862351666 1369530996 /nfs/dbraw/zinc/53/09/96/1369530996.db2.gz POMXKEVFZDSDPU-GFCCVEGCSA-N 0 3 343.265 2.307 20 10 EECDHN Cc1nccc(N2CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC2)n1 ZINC001089840333 777565344 /nfs/dbraw/zinc/56/53/44/777565344.db2.gz MZQQBXFCOLXCOU-SFHVURJKSA-N 0 3 345.491 2.014 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)OC[C@@H]2CCCO2)N(C)C)cc1 ZINC000908460228 785428986 /nfs/dbraw/zinc/42/89/86/785428986.db2.gz PULZEZYIEQAHMJ-IRXDYDNUSA-N 0 3 335.448 2.261 20 10 EECDHN COc1cc([O-])c(CN2CCC[C@H]([NH3+])CC2)c(Br)c1 ZINC001205124016 795373163 /nfs/dbraw/zinc/37/31/63/795373163.db2.gz IVRIHGWNPYJYLI-JTQLQIEISA-N 0 3 329.238 2.477 20 10 EECDHN COc1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c(O)c1 ZINC000793081833 810130703 /nfs/dbraw/zinc/13/07/03/810130703.db2.gz OYVUSIHLIHBSMK-HNNXBMFYSA-N 0 3 333.432 2.217 20 10 EECDHN CNC(=O)C1CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000297360451 465254569 /nfs/dbraw/zinc/25/45/69/465254569.db2.gz HKQQWEGCKXZHLV-UHFFFAOYSA-N 0 3 326.396 2.149 20 10 EECDHN CN(C)c1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000118758944 462851952 /nfs/dbraw/zinc/85/19/52/462851952.db2.gz NYRZGAGOTGWQQX-UHFFFAOYSA-N 0 3 345.487 2.404 20 10 EECDHN N[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000119494173 462906398 /nfs/dbraw/zinc/90/63/98/462906398.db2.gz UTHGQHSGWNYODY-LJQANCHMSA-N 0 3 339.439 2.230 20 10 EECDHN CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000092011064 462919311 /nfs/dbraw/zinc/91/93/11/462919311.db2.gz TZTYVSKHVWEOSY-YJBOKZPZSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1cccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000092011064 462919315 /nfs/dbraw/zinc/91/93/15/462919315.db2.gz TZTYVSKHVWEOSY-YJBOKZPZSA-N 0 3 345.443 2.470 20 10 EECDHN CCC[N@H+](CC(=O)N(C)C)Cc1cc(Br)ccc1[O-] ZINC000133664536 462958016 /nfs/dbraw/zinc/95/80/16/462958016.db2.gz USEOBPCFWHAQPT-UHFFFAOYSA-N 0 3 329.238 2.455 20 10 EECDHN CCC[N@@H+](CC(=O)N(C)C)Cc1cc(Br)ccc1[O-] ZINC000133664536 462958018 /nfs/dbraw/zinc/95/80/18/462958018.db2.gz USEOBPCFWHAQPT-UHFFFAOYSA-N 0 3 329.238 2.455 20 10 EECDHN COc1ccc(N2CCN(CCCNCc3cscn3)CC2)cc1 ZINC000121588803 463163242 /nfs/dbraw/zinc/16/32/42/463163242.db2.gz VGERUEIWIQORAI-UHFFFAOYSA-N 0 3 346.500 2.454 20 10 EECDHN CN(C)c1ccc(CN(CCO)CCOCC(F)(F)F)cc1F ZINC000124154201 463393911 /nfs/dbraw/zinc/39/39/11/463393911.db2.gz ZMNCOPMFRNYDOY-UHFFFAOYSA-N 0 3 338.345 2.265 20 10 EECDHN CN1CCCc2cc(CNC(=O)NC3CCN(C4CC4)CC3)ccc21 ZINC000057661735 463505577 /nfs/dbraw/zinc/50/55/77/463505577.db2.gz YUQMETOSVFXCMA-UHFFFAOYSA-N 0 3 342.487 2.495 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278522444 463969643 /nfs/dbraw/zinc/96/96/43/463969643.db2.gz SILRXUIKPIIZGV-HNNXBMFYSA-N 0 3 330.432 2.283 20 10 EECDHN CCN(CC)c1ccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000289538200 464083743 /nfs/dbraw/zinc/08/37/43/464083743.db2.gz WPXGVHIXMCBIBQ-UHFFFAOYSA-N 0 3 344.459 2.049 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)COC2)c1[O-] ZINC000187384914 464123430 /nfs/dbraw/zinc/12/34/30/464123430.db2.gz MWPSZWZVIUPCGS-SNVBAGLBSA-N 0 3 330.222 2.123 20 10 EECDHN CN(C)c1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1F ZINC000269968607 464142434 /nfs/dbraw/zinc/14/24/34/464142434.db2.gz WXABKOSHRLLGHL-APWZRJJASA-N 0 3 332.419 2.466 20 10 EECDHN CCS(=O)(=O)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263677663 464148905 /nfs/dbraw/zinc/14/89/05/464148905.db2.gz LMEYXWHDIVXKMI-UHFFFAOYSA-N 0 3 334.441 2.088 20 10 EECDHN COc1cc(O)c(CN(CCC(N)=O)Cc2ccccc2)cc1OC ZINC000179629694 464166079 /nfs/dbraw/zinc/16/60/79/464166079.db2.gz CPPJXVAEUOINLK-UHFFFAOYSA-N 0 3 344.411 2.287 20 10 EECDHN COc1cc([O-])c(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1OC ZINC000179629694 464166083 /nfs/dbraw/zinc/16/60/83/464166083.db2.gz CPPJXVAEUOINLK-UHFFFAOYSA-N 0 3 344.411 2.287 20 10 EECDHN COc1cc([O-])c(C[N@@H+](CCC(N)=O)Cc2ccccc2)cc1OC ZINC000179629694 464166087 /nfs/dbraw/zinc/16/60/87/464166087.db2.gz CPPJXVAEUOINLK-UHFFFAOYSA-N 0 3 344.411 2.287 20 10 EECDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(N3CCCC3)cc2)C1(C)C ZINC000188093781 464198221 /nfs/dbraw/zinc/19/82/21/464198221.db2.gz NULRDDIJIMCGMS-YLJYHZDGSA-N 0 3 345.487 2.436 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000179859714 464199790 /nfs/dbraw/zinc/19/97/90/464199790.db2.gz ZBIUAWSJNQONGS-UXLLHSPISA-N 0 3 334.460 2.474 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000179859714 464199801 /nfs/dbraw/zinc/19/98/01/464199801.db2.gz ZBIUAWSJNQONGS-UXLLHSPISA-N 0 3 334.460 2.474 20 10 EECDHN CN(C)c1ccc(CNC2(CO)CCOCC2)c(C(F)(F)F)c1 ZINC000280793895 464254051 /nfs/dbraw/zinc/25/40/51/464254051.db2.gz GSIZQJKISAWGSM-UHFFFAOYSA-N 0 3 332.366 2.403 20 10 EECDHN CCOc1cccc(CN(C)C[C@H](O)COCCOC(C)C)c1O ZINC000271135222 464282448 /nfs/dbraw/zinc/28/24/48/464282448.db2.gz MFWPGIVXKSRWNB-INIZCTEOSA-N 0 3 341.448 2.025 20 10 EECDHN CCOc1cccc(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1[O-] ZINC000271135222 464282452 /nfs/dbraw/zinc/28/24/52/464282452.db2.gz MFWPGIVXKSRWNB-INIZCTEOSA-N 0 3 341.448 2.025 20 10 EECDHN CCOc1cccc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1[O-] ZINC000271135222 464282456 /nfs/dbraw/zinc/28/24/56/464282456.db2.gz MFWPGIVXKSRWNB-INIZCTEOSA-N 0 3 341.448 2.025 20 10 EECDHN COc1cccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1[O-] ZINC000237364692 464309132 /nfs/dbraw/zinc/30/91/32/464309132.db2.gz NIDYGGDXCFKWQB-UHFFFAOYSA-N 0 3 330.384 2.388 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](C2CC2)C(C)(C)CO)cc1 ZINC000293145185 464388947 /nfs/dbraw/zinc/38/89/47/464388947.db2.gz TXWMOFDNYIXFQO-IBGZPJMESA-N 0 3 347.503 2.098 20 10 EECDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(N2CCCCC2)cc1 ZINC000294973791 464667471 /nfs/dbraw/zinc/66/74/71/464667471.db2.gz FZLZHRWFDKRHOL-INIZCTEOSA-N 0 3 339.505 2.094 20 10 EECDHN CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000273411083 464714662 /nfs/dbraw/zinc/71/46/62/464714662.db2.gz PPTGNNCAXKFURK-OAHLLOKOSA-N 0 3 345.487 2.086 20 10 EECDHN CCO[C@H]1C[C@@H](NCC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000295853914 464987435 /nfs/dbraw/zinc/98/74/35/464987435.db2.gz DLYZPUZVAVIJJD-MSOLQXFVSA-N 0 3 345.487 2.306 20 10 EECDHN O=S(=O)(NC1CCN(Cc2ccccc2O)CC1)c1ccccc1 ZINC000374258012 467035601 /nfs/dbraw/zinc/03/56/01/467035601.db2.gz HOCGHKQVWXUWPP-UHFFFAOYSA-N 0 3 346.452 2.335 20 10 EECDHN COC(=O)C[C@](C)(NCc1cc(OC)ccc1O)c1ccncc1 ZINC000191904680 533746215 /nfs/dbraw/zinc/74/62/15/533746215.db2.gz MWORVYRUSXRWCS-SFHVURJKSA-N 0 3 330.384 2.364 20 10 EECDHN CNC(=O)COc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000733324936 577222729 /nfs/dbraw/zinc/22/27/29/577222729.db2.gz LXRINPCXFBKPDA-UHFFFAOYSA-N 0 3 345.418 2.306 20 10 EECDHN CCNC(=O)NC(=O)[C@@H](C)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000771790853 577229997 /nfs/dbraw/zinc/22/99/97/577229997.db2.gz HPEGBWVBUAVOMF-CQSZACIVSA-N 0 3 334.464 2.197 20 10 EECDHN CO[C@@H](CNCc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F ZINC000771839508 577233624 /nfs/dbraw/zinc/23/36/24/577233624.db2.gz WPFVQWWGMCJDSS-HNNXBMFYSA-N 0 3 331.382 2.105 20 10 EECDHN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774487295 577400877 /nfs/dbraw/zinc/40/08/77/577400877.db2.gz YXQPXSYGGDPQFZ-KGLIPLIRSA-N 0 3 334.464 2.274 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@](O)(c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000776767580 577467561 /nfs/dbraw/zinc/46/75/61/577467561.db2.gz DFMDWHLXDUVNOT-IEBWSBKVSA-N 0 3 345.370 2.051 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@](O)(c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000776767580 577467562 /nfs/dbraw/zinc/46/75/62/577467562.db2.gz DFMDWHLXDUVNOT-IEBWSBKVSA-N 0 3 345.370 2.051 20 10 EECDHN COc1cc(O)c(CN2CCC(O[C@H]3CCOC3)CC2)cc1OC ZINC000768464428 577556386 /nfs/dbraw/zinc/55/63/86/577556386.db2.gz RANQWALATMRHBV-HNNXBMFYSA-N 0 3 337.416 2.179 20 10 EECDHN COc1cc(Br)cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1[O-] ZINC000769442139 577578033 /nfs/dbraw/zinc/57/80/33/577578033.db2.gz IQDPZYBFQMQFER-GXFFZTMASA-N 0 3 341.249 2.347 20 10 EECDHN COCCS(=O)(=O)c1ccc(CNCc2cc(C)ccc2O)cc1 ZINC000758506121 577626010 /nfs/dbraw/zinc/62/60/10/577626010.db2.gz LVFKHPRKCDDHCM-UHFFFAOYSA-N 0 3 349.452 2.411 20 10 EECDHN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCc1ccc2c(c1)CCO2 ZINC000760576695 577666129 /nfs/dbraw/zinc/66/61/29/577666129.db2.gz QGAGEAGOEUYHHA-INIZCTEOSA-N 0 3 330.815 2.461 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c([O-])c1 ZINC000756446533 577844402 /nfs/dbraw/zinc/84/44/02/577844402.db2.gz RQHPZPUCMGWYMU-OAHLLOKOSA-N 0 3 348.468 2.471 20 10 EECDHN CN(C)c1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000757693696 577862633 /nfs/dbraw/zinc/86/26/33/577862633.db2.gz NACMCVMNGZFDCC-UHFFFAOYSA-N 0 3 330.453 2.372 20 10 EECDHN C[C@@H]1C[C@H](C)N(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000740883373 578108822 /nfs/dbraw/zinc/10/88/22/578108822.db2.gz OAWQVMFADIWIJP-CABCVRRESA-N 0 3 349.450 2.009 20 10 EECDHN COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1-c1nnn[n-]1 ZINC000826203116 607570033 /nfs/dbraw/zinc/57/00/33/607570033.db2.gz ZITCUWVJRXAPCJ-UHFFFAOYSA-N 0 3 325.372 2.179 20 10 EECDHN COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1-c1nn[n-]n1 ZINC000826203116 607570034 /nfs/dbraw/zinc/57/00/34/607570034.db2.gz ZITCUWVJRXAPCJ-UHFFFAOYSA-N 0 3 325.372 2.179 20 10 EECDHN COc1cccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246177 676239749 /nfs/dbraw/zinc/23/97/49/676239749.db2.gz MXXZSLIDNZXOOW-INIZCTEOSA-N 0 3 342.443 2.189 20 10 EECDHN C[C@H](OCC1CC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256502 676252400 /nfs/dbraw/zinc/25/24/00/676252400.db2.gz YUBGHMOSJBXHHV-KSSFIOAISA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@H]2CCOC2)N(C)C)cc1 ZINC000894154544 681793859 /nfs/dbraw/zinc/79/38/59/681793859.db2.gz NNMJJBSBYKJBSZ-MAUKXSAKSA-N 0 3 348.491 2.081 20 10 EECDHN COc1ccc(CN[C@H](CC(N)=O)c2ccccc2)c(O)c1OC ZINC000894630795 683004803 /nfs/dbraw/zinc/00/48/03/683004803.db2.gz GPURLZHVQMNFOI-CQSZACIVSA-N 0 3 330.384 2.116 20 10 EECDHN OC1CCN(c2ccc(CNCc3ccc4nonc4c3)cc2)CC1 ZINC000897989968 691847157 /nfs/dbraw/zinc/84/71/57/691847157.db2.gz LNFDJCAHLCOKPZ-UHFFFAOYSA-N 0 3 338.411 2.474 20 10 EECDHN CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618907 1190933021 /nfs/dbraw/zinc/93/30/21/1190933021.db2.gz PSWWOLQSYPGCFG-AWEZNQCLSA-N 0 3 330.428 2.184 20 10 EECDHN COC[C@@H](C)N1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699883 1195091476 /nfs/dbraw/zinc/09/14/76/1195091476.db2.gz QWJPTKKUNUNPCS-IUODEOHRSA-N 0 3 347.419 2.030 20 10 EECDHN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877147677 1199869997 /nfs/dbraw/zinc/86/99/97/1199869997.db2.gz ZJZRKLMXPBDCPJ-CABCVRRESA-N 0 3 333.476 2.041 20 10 EECDHN CCOc1ccc(N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001274799630 1205167493 /nfs/dbraw/zinc/16/74/93/1205167493.db2.gz SEVWFRIPCDXKIH-LJQANCHMSA-N 0 3 331.460 2.076 20 10 EECDHN COc1ccc(N2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)cc1 ZINC001274791980 1205169479 /nfs/dbraw/zinc/16/94/79/1205169479.db2.gz XMZKFSVKRDGHHC-FQEVSTJZSA-N 0 3 345.487 2.466 20 10 EECDHN Cc1cc(CN2CC3(CCN3CCn3ccnc3)C2)ccc1N(C)C ZINC001275360539 1205320595 /nfs/dbraw/zinc/32/05/95/1205320595.db2.gz AXMSNMHHZFLHLS-UHFFFAOYSA-N 0 3 339.487 2.218 20 10 EECDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(F)nc3)cc2)C1 ZINC000778159865 1207745953 /nfs/dbraw/zinc/74/59/53/1207745953.db2.gz QCHWHDGETFRKNR-INIZCTEOSA-N 0 3 342.418 2.212 20 10 EECDHN CCOC(=O)CC1([NH2+]Cc2ccc(OCC)cc2[O-])CCOCC1 ZINC000827757644 1248698209 /nfs/dbraw/zinc/69/82/09/1248698209.db2.gz HAERUTYWDDBSCX-UHFFFAOYSA-N 0 3 337.416 2.383 20 10 EECDHN COc1cc(Br)cc(CN(C)C[C@H]2COCCO2)c1O ZINC000827140566 1250252453 /nfs/dbraw/zinc/25/24/53/1250252453.db2.gz LMCRZJQGPAVUNT-LBPRGKRZSA-N 0 3 346.221 2.011 20 10 EECDHN Cc1ncc(CNCc2ccc(N3CCC(CO)CC3)cc2)n1C ZINC000850073273 1277017457 /nfs/dbraw/zinc/01/74/57/1277017457.db2.gz YPAKIUWVNIZMCY-UHFFFAOYSA-N 0 3 328.460 2.227 20 10 EECDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001211354434 1295837344 /nfs/dbraw/zinc/83/73/44/1295837344.db2.gz PRMQDJMTBKMXSD-IBGZPJMESA-N 0 3 341.455 2.243 20 10 EECDHN O=C1c2cccc(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)c2C(=O)c2cccc([O-])c21 ZINC001218444317 1297665760 /nfs/dbraw/zinc/66/57/60/1297665760.db2.gz KXVRMNUVOKNHBY-MZJFNTNISA-N 0 3 335.359 2.297 20 10 EECDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]cn2)cc1 ZINC001218954655 1297881033 /nfs/dbraw/zinc/88/10/33/1297881033.db2.gz DWWNLSQFWWATEX-SFHVURJKSA-N 0 3 335.411 2.095 20 10 EECDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H](N)Cc2cnc[nH]2)cc1 ZINC001218954655 1297881047 /nfs/dbraw/zinc/88/10/47/1297881047.db2.gz DWWNLSQFWWATEX-SFHVURJKSA-N 0 3 335.411 2.095 20 10 EECDHN CC(C)(C)NC(=O)[C@H]1COCCC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277440556 1303025630 /nfs/dbraw/zinc/02/56/30/1303025630.db2.gz BWNNJHPJQNUHPQ-OAHLLOKOSA-N 0 3 332.444 2.145 20 10 EECDHN [O-]c1c(C[NH+]2CCN(c3ncc(O)cn3)CC2)ccc2ccccc21 ZINC001231883192 1303937362 /nfs/dbraw/zinc/93/73/62/1303937362.db2.gz MADSQLRKRCBTAF-UHFFFAOYSA-N 0 3 336.395 2.363 20 10 EECDHN COC(=O)C[C@@H]1CCCN1Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232405738 1304110497 /nfs/dbraw/zinc/11/04/97/1304110497.db2.gz PFOOSGQSQBMBSU-ZDUSSCGKSA-N 0 3 344.411 2.492 20 10 EECDHN CS(=O)(=O)Nc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001233268656 1304410987 /nfs/dbraw/zinc/41/09/87/1304410987.db2.gz SSMRBFHVGZDESO-UHFFFAOYSA-N 0 3 332.425 2.322 20 10 EECDHN CS(=O)(=O)Nc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001233268656 1304410989 /nfs/dbraw/zinc/41/09/89/1304410989.db2.gz SSMRBFHVGZDESO-UHFFFAOYSA-N 0 3 332.425 2.322 20 10 EECDHN Oc1cc(O)c(CN2CCc3ncnc(C4CC4)c3CC2)cc1O ZINC001233484795 1304477745 /nfs/dbraw/zinc/47/77/45/1304477745.db2.gz XQTNELXGEXELQK-UHFFFAOYSA-N 0 3 327.384 2.072 20 10 EECDHN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485724 1304478930 /nfs/dbraw/zinc/47/89/30/1304478930.db2.gz IOMJGAXXWBEVQM-LLVKDONJSA-N 0 3 338.404 2.150 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@](C)(CO)[C@@H](O)C3)c2c1 ZINC001234525225 1304953233 /nfs/dbraw/zinc/95/32/33/1304953233.db2.gz CVQBUFPOTHTWNX-OALUTQOASA-N 0 3 331.412 2.119 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@](C)(CO)[C@@H](O)C3)c2c1 ZINC001234525225 1304953236 /nfs/dbraw/zinc/95/32/36/1304953236.db2.gz CVQBUFPOTHTWNX-OALUTQOASA-N 0 3 331.412 2.119 20 10 EECDHN C[C@H]1[C@@H]([NH3+])CCCN1Cc1ccc(I)cc1[O-] ZINC001236421601 1305575760 /nfs/dbraw/zinc/57/57/60/1305575760.db2.gz VBSMFIKUWJCNAZ-CABZTGNLSA-N 0 3 346.212 2.308 20 10 EECDHN COC(=O)[C@H]1C[C@H](C(=O)OC)C[NH+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237048431 1305776428 /nfs/dbraw/zinc/77/64/28/1305776428.db2.gz GBGFNWVIPRILFQ-HOTGVXAUSA-N 0 3 349.427 2.300 20 10 EECDHN CCCNC(=O)COC1CC[NH+](Cc2cc(F)cc(C)c2[O-])CC1 ZINC001238067977 1306207226 /nfs/dbraw/zinc/20/72/26/1306207226.db2.gz WHPVXTQDWIZPRS-UHFFFAOYSA-N 0 3 338.423 2.347 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC(F)F)N(C)C)cc1 ZINC001122281874 1310255598 /nfs/dbraw/zinc/25/55/98/1310255598.db2.gz GYDJEUQURPNZTC-CQSZACIVSA-N 0 3 328.407 2.310 20 10 EECDHN Oc1c(CN2CCO[C@]3(CCOC3)C2)cc2c3c1CCCN3CCC2 ZINC001138337846 1314602284 /nfs/dbraw/zinc/60/22/84/1314602284.db2.gz DTQCVPWJTHEWCG-HXUWFJFHSA-N 0 3 344.455 2.082 20 10 EECDHN COC(=O)CN(CC[NH2+]C(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000841006069 1315452758 /nfs/dbraw/zinc/45/27/58/1315452758.db2.gz HNDYZYSJOLCULF-UHFFFAOYSA-N 0 3 328.840 2.409 20 10 EECDHN COc1c([O-])c(CN2CC[NH2+]Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000841038349 1315459796 /nfs/dbraw/zinc/45/97/96/1315459796.db2.gz VMHQVQJEKLZRLD-UHFFFAOYSA-N 0 3 329.356 2.419 20 10 EECDHN CC[C@H](NCc1cc2c(cc1O)OCO2)C(=O)NCc1cccs1 ZINC000842750468 1315766813 /nfs/dbraw/zinc/76/68/13/1315766813.db2.gz QHJXULADOONZOS-ZDUSSCGKSA-N 0 3 348.424 2.367 20 10 EECDHN C[C@@](O)(CNCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F ZINC000843065305 1315833500 /nfs/dbraw/zinc/83/35/00/1315833500.db2.gz KNFGCHDSZRYKLN-MRXNPFEDSA-N 0 3 346.393 2.298 20 10 EECDHN COC(=O)[C@@H]1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CCCO1 ZINC001249258324 1317035904 /nfs/dbraw/zinc/03/59/04/1317035904.db2.gz GGVQDLXAMSJQEV-INIZCTEOSA-N 0 3 347.411 2.340 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001203551505 1321910570 /nfs/dbraw/zinc/91/05/70/1321910570.db2.gz GHOAZKWFQJVULX-YQVWRLOYSA-N 0 3 326.396 2.203 20 10 EECDHN [O-]c1ccccc1C[N@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001203551505 1321910571 /nfs/dbraw/zinc/91/05/71/1321910571.db2.gz GHOAZKWFQJVULX-YQVWRLOYSA-N 0 3 326.396 2.203 20 10 EECDHN Oc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1O ZINC001203877080 1321980693 /nfs/dbraw/zinc/98/06/93/1321980693.db2.gz CKHFUKCAMWVRHR-SJORKVTESA-N 0 3 325.412 2.342 20 10 EECDHN COC(=O)c1c(CN2CCCC3(CN(C)C3)C2)c2ccccc2n1C ZINC001276664169 1325009328 /nfs/dbraw/zinc/00/93/28/1325009328.db2.gz NLNFEHBOBRNXGB-UHFFFAOYSA-N 0 3 341.455 2.493 20 10 EECDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H](C)N1C ZINC001330424105 1334841170 /nfs/dbraw/zinc/84/11/70/1334841170.db2.gz LGVMSHNYXSYFKF-IYBDPMFKSA-N 0 3 334.483 2.102 20 10 EECDHN COCC[C@@H](CO)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000798940369 1371621929 /nfs/dbraw/zinc/62/19/29/1371621929.db2.gz GFVQESVCAGZHTK-KGLIPLIRSA-N 0 3 342.867 2.225 20 10 EECDHN CCN(CC)c1ccc(CN2CCC3(CNC(=O)N3)CC2)c(OC)c1 ZINC001138392288 1372390598 /nfs/dbraw/zinc/39/05/98/1372390598.db2.gz UOKGWAQOLFFDRQ-UHFFFAOYSA-N 0 3 346.475 2.189 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(OC)c1 ZINC001141026983 1372741879 /nfs/dbraw/zinc/74/18/79/1372741879.db2.gz JDEXWEWSPRBWBX-CQSZACIVSA-N 0 3 348.443 2.244 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(OC)c1 ZINC001141026983 1372741884 /nfs/dbraw/zinc/74/18/84/1372741884.db2.gz JDEXWEWSPRBWBX-CQSZACIVSA-N 0 3 348.443 2.244 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@H](c3noc(C)n3)C2)c(OC)c1 ZINC001141032119 1372745024 /nfs/dbraw/zinc/74/50/24/1372745024.db2.gz TVJSXXQNQCQZDB-GFCCVEGCSA-N 0 3 333.388 2.480 20 10 EECDHN COc1cc(O)c(CN2CCC[C@H](Oc3ncccn3)C2)c(OC)c1 ZINC001141032914 1372745720 /nfs/dbraw/zinc/74/57/20/1372745720.db2.gz SDRXAXPCFDBLCI-ZDUSSCGKSA-N 0 3 345.399 2.243 20 10 EECDHN Cc1ocnc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894007898 780386006 /nfs/dbraw/zinc/38/60/06/780386006.db2.gz IPYGZXJKMPFCRU-QGZVFWFLSA-N 0 3 345.447 2.151 20 10 EECDHN COc1ccc(N2CC[C@H](CN[C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000818115870 785189268 /nfs/dbraw/zinc/18/92/68/785189268.db2.gz DBCYWDNCSBNCCF-DNVCBOLYSA-N 0 3 339.439 2.338 20 10 EECDHN COc1ccc(N2CC[C@@H](CNCc3ccnc(OC)n3)C2)cc1 ZINC000818222972 785224594 /nfs/dbraw/zinc/22/45/94/785224594.db2.gz ZJSHYMHEYNRPTQ-AWEZNQCLSA-N 0 3 328.416 2.110 20 10 EECDHN COc1cc(CN(C)CCN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000824693058 788276900 /nfs/dbraw/zinc/27/69/00/788276900.db2.gz CNZBCSGOWJUHNA-UHFFFAOYSA-N 0 3 336.476 2.462 20 10 EECDHN COc1cc([O-])c(CN(C2CC2)C2C[NH2+]C2)c(Br)c1 ZINC001236063936 798408045 /nfs/dbraw/zinc/40/80/45/798408045.db2.gz MODVUWYDLDMPFD-UHFFFAOYSA-N 0 3 327.222 2.100 20 10 EECDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000789764292 808169744 /nfs/dbraw/zinc/16/97/44/808169744.db2.gz XRHNWNCGNXGQTA-GFCCVEGCSA-N 0 3 328.840 2.207 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000789764292 808169747 /nfs/dbraw/zinc/16/97/47/808169747.db2.gz XRHNWNCGNXGQTA-GFCCVEGCSA-N 0 3 328.840 2.207 20 10 EECDHN COC[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000112986918 533363714 /nfs/dbraw/zinc/36/37/14/533363714.db2.gz XRHNHVYSTVWMDT-QGZVFWFLSA-N 0 3 333.476 2.069 20 10 EECDHN Cc1cc(C(=O)NC[C@@](C)(O)CN(C)C)c(C)n1-c1ccccc1C ZINC000153399059 462645979 /nfs/dbraw/zinc/64/59/79/462645979.db2.gz CXHPJDPSBVUHFC-HXUWFJFHSA-N 0 3 343.471 2.445 20 10 EECDHN CCCNC(=O)C1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCCCC1 ZINC000154529361 462779305 /nfs/dbraw/zinc/77/93/05/462779305.db2.gz MJCKQFPLZPWFMM-UHFFFAOYSA-N 0 3 334.416 2.440 20 10 EECDHN CCCNC(=O)C1(NCc2cc3c(cc2O)OCO3)CCCCC1 ZINC000154529361 462779309 /nfs/dbraw/zinc/77/93/09/462779309.db2.gz MJCKQFPLZPWFMM-UHFFFAOYSA-N 0 3 334.416 2.440 20 10 EECDHN CN(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000067044692 462960764 /nfs/dbraw/zinc/96/07/64/462960764.db2.gz KXPKUAGJIATONK-VQFGERMISA-N 0 3 343.471 2.089 20 10 EECDHN C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185341615 463804444 /nfs/dbraw/zinc/80/44/44/463804444.db2.gz MRNTXQKQRQPMBR-OAHLLOKOSA-N 0 3 345.487 2.086 20 10 EECDHN C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(F)ccc1[O-] ZINC000186100854 463936677 /nfs/dbraw/zinc/93/66/77/463936677.db2.gz BIYKMTLWTYCKGR-NSHDSACASA-N 0 3 342.436 2.139 20 10 EECDHN CCOCc1cc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)ccc1OC ZINC000284036447 464072868 /nfs/dbraw/zinc/07/28/68/464072868.db2.gz ONVDOTSPEODVIC-SJLPKXTDSA-N 0 3 339.476 2.479 20 10 EECDHN CN(C)S(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000289574605 464085812 /nfs/dbraw/zinc/08/58/12/464085812.db2.gz LZOJCBZEMCDHHJ-UHFFFAOYSA-N 0 3 334.441 2.040 20 10 EECDHN CCNC(=O)OC[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000289677184 464089117 /nfs/dbraw/zinc/08/91/17/464089117.db2.gz ZKUZQFYZAKGKFR-ZDUSSCGKSA-N 0 3 336.388 2.222 20 10 EECDHN CC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000280233222 464193805 /nfs/dbraw/zinc/19/38/05/464193805.db2.gz VJGOOCUEOSZVGG-INIZCTEOSA-N 0 3 340.489 2.413 20 10 EECDHN CC[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000280233226 464194535 /nfs/dbraw/zinc/19/45/35/464194535.db2.gz VJGOOCUEOSZVGG-MRXNPFEDSA-N 0 3 340.489 2.413 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(C)CCCCN1 ZINC000237223166 464287332 /nfs/dbraw/zinc/28/73/32/464287332.db2.gz KCGKUBROBGOAPE-IBGZPJMESA-N 0 3 331.460 2.014 20 10 EECDHN C[C@@H]1CN(CC2CCN(C(=O)Cc3ccc(N)cc3)CC2)C[C@H](C)O1 ZINC000237603687 464346875 /nfs/dbraw/zinc/34/68/75/464346875.db2.gz MMRIHJMZOQOZQC-IYBDPMFKSA-N 0 3 345.487 2.159 20 10 EECDHN COC(=O)[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000271722475 464369880 /nfs/dbraw/zinc/36/98/80/464369880.db2.gz KNYKXBAPTSLPPS-JTQLQIEISA-N 0 3 328.206 2.458 20 10 EECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000293923029 464426104 /nfs/dbraw/zinc/42/61/04/464426104.db2.gz XLOYXBPBBZDKTN-AWEZNQCLSA-N 0 3 340.489 2.331 20 10 EECDHN Cc1cc(O)c(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1C ZINC000285577458 464616885 /nfs/dbraw/zinc/61/68/85/464616885.db2.gz UVUSURSYEWUQEZ-HNNXBMFYSA-N 0 3 332.366 2.362 20 10 EECDHN Cc1cc([O-])c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1C ZINC000285577458 464616890 /nfs/dbraw/zinc/61/68/90/464616890.db2.gz UVUSURSYEWUQEZ-HNNXBMFYSA-N 0 3 332.366 2.362 20 10 EECDHN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273399801 464714069 /nfs/dbraw/zinc/71/40/69/464714069.db2.gz MVTIQKIJOYYHGH-AWEZNQCLSA-N 0 3 340.489 2.474 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c([O-])c1C ZINC000273565215 464720332 /nfs/dbraw/zinc/72/03/32/464720332.db2.gz JEMMHZZYYVYHOM-AWEZNQCLSA-N 0 3 340.489 2.331 20 10 EECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])[C@@]12CCCO2 ZINC000273700796 464724733 /nfs/dbraw/zinc/72/47/33/464724733.db2.gz DBSREFORJPWGBU-KSZLIROESA-N 0 3 337.416 2.226 20 10 EECDHN CN(Cc1cc2c(cc1O)OCO2)C[C@H]1COc2ccccc2O1 ZINC000298824990 465515885 /nfs/dbraw/zinc/51/58/85/465515885.db2.gz VPZHCPMTSCPAAD-ZDUSSCGKSA-N 0 3 329.352 2.393 20 10 EECDHN O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000365563200 466863067 /nfs/dbraw/zinc/86/30/67/466863067.db2.gz SOKJEXKVEKIYLJ-OAHLLOKOSA-N 0 3 326.396 2.350 20 10 EECDHN O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000365563200 466863073 /nfs/dbraw/zinc/86/30/73/466863073.db2.gz SOKJEXKVEKIYLJ-OAHLLOKOSA-N 0 3 326.396 2.350 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@]1(F)CC[NH2+]C1 ZINC000370778915 521285177 /nfs/dbraw/zinc/28/51/77/521285177.db2.gz IIMPUNGYYATQDX-AWEZNQCLSA-N 0 3 345.212 2.205 20 10 EECDHN O=[N+]([O-])c1cc(CNCC2(O)CCOCC2)ccc1N1CCCCC1 ZINC000728782439 576526381 /nfs/dbraw/zinc/52/63/81/576526381.db2.gz OKUUANHEJDTXPV-UHFFFAOYSA-N 0 3 349.431 2.216 20 10 EECDHN COC(=O)CN(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204241 577156651 /nfs/dbraw/zinc/15/66/51/577156651.db2.gz GOCRUZQAXZXWQN-UHFFFAOYSA-N 0 3 348.443 2.158 20 10 EECDHN COC(=O)CN(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204241 577156652 /nfs/dbraw/zinc/15/66/52/577156652.db2.gz GOCRUZQAXZXWQN-UHFFFAOYSA-N 0 3 348.443 2.158 20 10 EECDHN COCCNC(=O)[C@H](Cc1ccccc1)NCc1cccc(C)c1O ZINC000776253051 577455781 /nfs/dbraw/zinc/45/57/81/577455781.db2.gz LZUGDWYFXUORJI-SFHVURJKSA-N 0 3 342.439 2.164 20 10 EECDHN COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C)c1[O-] ZINC000776253051 577455782 /nfs/dbraw/zinc/45/57/82/577455782.db2.gz LZUGDWYFXUORJI-SFHVURJKSA-N 0 3 342.439 2.164 20 10 EECDHN CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000766033376 577511504 /nfs/dbraw/zinc/51/15/04/577511504.db2.gz YPUUGZAIZXKPNK-CXAGYDPISA-N 0 3 349.427 2.372 20 10 EECDHN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000766033376 577511505 /nfs/dbraw/zinc/51/15/05/577511505.db2.gz YPUUGZAIZXKPNK-CXAGYDPISA-N 0 3 349.427 2.372 20 10 EECDHN Cc1cccc(N2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1 ZINC000768442465 577555609 /nfs/dbraw/zinc/55/56/09/577555609.db2.gz PHOQHLMRQONJFU-IBGZPJMESA-N 0 3 340.423 2.449 20 10 EECDHN CC(C)C1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)COC1 ZINC000891243114 676233872 /nfs/dbraw/zinc/23/38/72/676233872.db2.gz IATQKYUVMUKVBT-QGZVFWFLSA-N 0 3 333.476 2.144 20 10 EECDHN C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248458 676242629 /nfs/dbraw/zinc/24/26/29/676242629.db2.gz MXTBRKRARYWWEA-KSSFIOAISA-N 0 3 343.475 2.073 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccncc2F)N(C)C)cc1 ZINC000891252682 676248440 /nfs/dbraw/zinc/24/84/40/676248440.db2.gz MGSVDPZOBHSJEB-KRWDZBQOSA-N 0 3 330.407 2.319 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C[C@](C)(O)C2CC2)N(C)C)cc1 ZINC000891253957 676250172 /nfs/dbraw/zinc/25/01/72/676250172.db2.gz VIKYXLRONSJCRF-HKUYNNGSSA-N 0 3 333.476 2.023 20 10 EECDHN CCc1ncncc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254949 676250846 /nfs/dbraw/zinc/25/08/46/676250846.db2.gz KRCQDOHWKVFSAE-SFHVURJKSA-N 0 3 341.459 2.138 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1[O-] ZINC000840833756 676382782 /nfs/dbraw/zinc/38/27/82/676382782.db2.gz PLSCPRIHTHLCFW-UWVGGRQHSA-N 0 3 327.222 2.250 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCc2ccoc2)N(C)C)cc1 ZINC000895780974 684726164 /nfs/dbraw/zinc/72/61/64/684726164.db2.gz WGEGNVMMCDYPLN-GOSISDBHSA-N 0 3 344.459 2.490 20 10 EECDHN COC[C@@H](C)N1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989761205 692266790 /nfs/dbraw/zinc/26/67/90/692266790.db2.gz XQGCRCDGUGDXSK-CYBMUJFWSA-N 0 3 347.419 2.032 20 10 EECDHN CCCCN1C[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2)OCC1=O ZINC001272916323 1193601867 /nfs/dbraw/zinc/60/18/67/1193601867.db2.gz FHNSPVVOPLWBCY-FQEVSTJZSA-N 0 3 345.487 2.356 20 10 EECDHN O=C1N(Cc2cnoc2)CCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618814 1190932864 /nfs/dbraw/zinc/93/28/64/1190932864.db2.gz OVHMCUFXLUVEMB-UHFFFAOYSA-N 0 3 341.411 2.395 20 10 EECDHN COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001272618223 1190933246 /nfs/dbraw/zinc/93/32/46/1190933246.db2.gz CQJHMCWDWYGQLL-HZPDHXFCSA-N 0 3 332.444 2.383 20 10 EECDHN COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001272618223 1190933248 /nfs/dbraw/zinc/93/32/48/1190933248.db2.gz CQJHMCWDWYGQLL-HZPDHXFCSA-N 0 3 332.444 2.383 20 10 EECDHN COCCCN1CC[C@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272625265 1190936958 /nfs/dbraw/zinc/93/69/58/1190936958.db2.gz JJLAMVCSIXHXLC-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001272981868 1194290466 /nfs/dbraw/zinc/29/04/66/1194290466.db2.gz AHCXHOLMPVTOFZ-LJQANCHMSA-N 0 3 348.443 2.091 20 10 EECDHN COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001272981868 1194290468 /nfs/dbraw/zinc/29/04/68/1194290468.db2.gz AHCXHOLMPVTOFZ-LJQANCHMSA-N 0 3 348.443 2.091 20 10 EECDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983658 1194292401 /nfs/dbraw/zinc/29/24/01/1194292401.db2.gz YCFBGEYBZGTYDP-BFUOFWGJSA-N 0 3 346.427 2.237 20 10 EECDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983658 1194292403 /nfs/dbraw/zinc/29/24/03/1194292403.db2.gz YCFBGEYBZGTYDP-BFUOFWGJSA-N 0 3 346.427 2.237 20 10 EECDHN COCCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877621546 1199987764 /nfs/dbraw/zinc/98/77/64/1199987764.db2.gz YJLRGBVRABAZGJ-GOSISDBHSA-N 0 3 345.439 2.419 20 10 EECDHN COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000879649049 1201193879 /nfs/dbraw/zinc/19/38/79/1201193879.db2.gz KIKUDPJRMBSVES-CYBMUJFWSA-N 0 3 344.411 2.376 20 10 EECDHN Cc1ncc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886325303 1202492702 /nfs/dbraw/zinc/49/27/02/1202492702.db2.gz ABUCKVULNPDVOE-UHFFFAOYSA-N 0 3 344.484 2.443 20 10 EECDHN CCOc1ccc(N2CCC3(CCN(CCN(C)C)C3=O)CC2)cc1 ZINC001274799109 1205167326 /nfs/dbraw/zinc/16/73/26/1205167326.db2.gz OKINAFORWJZORC-UHFFFAOYSA-N 0 3 345.487 2.466 20 10 EECDHN CN(C)C(=O)CN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001275266577 1205294011 /nfs/dbraw/zinc/29/40/11/1205294011.db2.gz AZSMBRLTMJWTFE-HXUWFJFHSA-N 0 3 345.487 2.158 20 10 EECDHN CN(C)C(=O)CN1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001275266577 1205294013 /nfs/dbraw/zinc/29/40/13/1205294013.db2.gz AZSMBRLTMJWTFE-HXUWFJFHSA-N 0 3 345.487 2.158 20 10 EECDHN COc1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)cc(O)c1O ZINC001275963443 1205605105 /nfs/dbraw/zinc/60/51/05/1205605105.db2.gz WORULGROQFDLIP-HOTGVXAUSA-N 0 3 343.427 2.283 20 10 EECDHN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000778924257 1208404211 /nfs/dbraw/zinc/40/42/11/1208404211.db2.gz XXXSIARTMGBYIC-MRXNPFEDSA-N 0 3 341.411 2.021 20 10 EECDHN O=C(c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1)N1CCOCC1 ZINC000779052310 1208480128 /nfs/dbraw/zinc/48/01/28/1208480128.db2.gz LHWHCJFFWPFTGB-UHFFFAOYSA-N 0 3 344.386 2.294 20 10 EECDHN COc1ccc(Br)c(CN2CCC[C@H](CO)C2)c1O ZINC001231548278 1303841893 /nfs/dbraw/zinc/84/18/93/1303841893.db2.gz RIDQTXHLCVWMBY-JTQLQIEISA-N 0 3 330.222 2.368 20 10 EECDHN Oc1cc(C(F)(F)F)ccc1CN1CCN([C@H]2CCOC2)CC1 ZINC001233452053 1304470413 /nfs/dbraw/zinc/47/04/13/1304470413.db2.gz IUWPTYWWYPUUDW-AWEZNQCLSA-N 0 3 330.350 2.318 20 10 EECDHN Oc1cc(O)c(CN(Cc2cccnc2)C2CCOCC2)cc1O ZINC001233486056 1304478660 /nfs/dbraw/zinc/47/86/60/1304478660.db2.gz WOJBGZBRKGEXLW-UHFFFAOYSA-N 0 3 330.384 2.380 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c(Br)c1 ZINC001235247288 1305164114 /nfs/dbraw/zinc/16/41/14/1305164114.db2.gz DYUTVLYDZOWWRD-MEBBXXQBSA-N 0 3 341.249 2.477 20 10 EECDHN CC(C)(C)c1cc([O-])c(CN2CC[NH2+][C@@H](CCO)C2)cc1Cl ZINC001236085942 1305499660 /nfs/dbraw/zinc/49/96/60/1305499660.db2.gz IANKVBFWPYFSJY-ZDUSSCGKSA-N 0 3 326.868 2.499 20 10 EECDHN COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001236201372 1305532948 /nfs/dbraw/zinc/53/29/48/1305532948.db2.gz MJOQQANASGAYMB-WBVHZDCISA-N 0 3 326.396 2.134 20 10 EECDHN CCN(C(C)=O)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236754698 1305659152 /nfs/dbraw/zinc/65/91/52/1305659152.db2.gz UHSFHAAZFVOVHY-UHFFFAOYSA-N 0 3 336.432 2.242 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CCCN(c3ncccn3)CC2)c([O-])c1 ZINC001236811234 1305686151 /nfs/dbraw/zinc/68/61/51/1305686151.db2.gz NJFSVTZUYULCQG-UHFFFAOYSA-N 0 3 328.416 2.212 20 10 EECDHN COc1cc(C)c(C[N@H+]2CCCN(c3ncccn3)CC2)c([O-])c1 ZINC001236811234 1305686155 /nfs/dbraw/zinc/68/61/55/1305686155.db2.gz NJFSVTZUYULCQG-UHFFFAOYSA-N 0 3 328.416 2.212 20 10 EECDHN CCNC(=O)COC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237690939 1306049068 /nfs/dbraw/zinc/04/90/68/1306049068.db2.gz VBLDXYKOTVMAPK-UHFFFAOYSA-N 0 3 340.851 2.471 20 10 EECDHN COc1ccnc(O[C@@H]2CCN(Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238065855 1306206545 /nfs/dbraw/zinc/20/65/45/1306206545.db2.gz FSCONBZQKCEPBY-CQSZACIVSA-N 0 3 333.363 2.292 20 10 EECDHN COc1cc(CN2CC[C@]3(CCC[C@H]3C(=O)N(C)C)C2)cc(O)c1O ZINC001278235699 1308882140 /nfs/dbraw/zinc/88/21/40/1308882140.db2.gz NUGNQHOFHBZAFQ-IFXJQAMLSA-N 0 3 348.443 2.187 20 10 EECDHN CC[C@@]1(C(=O)OC)C[C@H](NCc2ccc(N3CCCCC3)cc2)CN1 ZINC001246171429 1310252376 /nfs/dbraw/zinc/25/23/76/1310252376.db2.gz VUGDCBMXSPQDKI-PXNSSMCTSA-N 0 3 345.487 2.450 20 10 EECDHN COC1CCN(c2ccc(CN3CC[C@H](n4cncn4)C3)cc2)CC1 ZINC000828978772 1314483720 /nfs/dbraw/zinc/48/37/20/1314483720.db2.gz GIRAQWHSBJFZSI-SFHVURJKSA-N 0 3 341.459 2.340 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccccc3)C1)[C@@H](O)CO2 ZINC000842616601 1315733409 /nfs/dbraw/zinc/73/34/09/1315733409.db2.gz HBELKVIMPCVNGR-YJBOKZPZSA-N 0 3 327.380 2.471 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccccc3)C1)[C@@H](O)CO2 ZINC000842616601 1315733410 /nfs/dbraw/zinc/73/34/10/1315733410.db2.gz HBELKVIMPCVNGR-YJBOKZPZSA-N 0 3 327.380 2.471 20 10 EECDHN CCO[C@H]1CCN(Cc2ccc(O)c(O)c2)[C@H]1Cc1cnn(C)c1 ZINC001203876653 1321980140 /nfs/dbraw/zinc/98/01/40/1321980140.db2.gz GXLVOGJRQQXRFQ-YJBOKZPZSA-N 0 3 331.416 2.053 20 10 EECDHN CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCc3cccc(O)c3C2)C1 ZINC001208102148 1324317077 /nfs/dbraw/zinc/31/70/77/1324317077.db2.gz YHXFEXKIRUTELZ-HNNXBMFYSA-N 0 3 348.443 2.386 20 10 EECDHN CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)CC1=CCCOC1 ZINC001330867757 1334917854 /nfs/dbraw/zinc/91/78/54/1334917854.db2.gz ZFGKMUPUQPNWTL-UHFFFAOYSA-N 0 3 333.451 2.356 20 10 EECDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001605482495 1351168717 /nfs/dbraw/zinc/16/87/17/1351168717.db2.gz TVUUIMJCPCPBMI-CABCVRRESA-N 0 3 349.475 2.015 20 10 EECDHN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCN2CC[C@H]1C2 ZINC001344720922 1372964917 /nfs/dbraw/zinc/96/49/17/1372964917.db2.gz JCVNCKKNBXAQAJ-AWEZNQCLSA-N 0 3 348.410 2.318 20 10 EECDHN O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CN1CCOc1ccccc1 ZINC000180786718 775054269 /nfs/dbraw/zinc/05/42/69/775054269.db2.gz YOTIUHYJYGOELQ-MRXNPFEDSA-N 0 3 344.386 2.301 20 10 EECDHN CS(=O)(=O)CCCCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000163001044 776176082 /nfs/dbraw/zinc/17/60/82/776176082.db2.gz LUQXJKMRGSEELA-MRXNPFEDSA-N 0 3 341.473 2.198 20 10 EECDHN CN(C(=O)NCCCSc1nccs1)[C@H]1CCCN(C)C1 ZINC000893645756 778279081 /nfs/dbraw/zinc/27/90/81/778279081.db2.gz MERRCIRDQXPAHA-LBPRGKRZSA-N 0 3 328.507 2.361 20 10 EECDHN OC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1C(F)(F)F ZINC000809697987 783285315 /nfs/dbraw/zinc/28/53/15/783285315.db2.gz SYBDWKFYAYXISQ-GHMZBOCLSA-N 0 3 333.306 2.114 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CCN2CCCOCC2)c1[O-] ZINC000809750847 783362063 /nfs/dbraw/zinc/36/20/63/783362063.db2.gz KCQOGNFLMIISGN-UHFFFAOYSA-N 0 3 343.265 2.275 20 10 EECDHN COc1ccc(N2CC[C@@H](CN[C@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000818115874 785188730 /nfs/dbraw/zinc/18/87/30/785188730.db2.gz DBCYWDNCSBNCCF-KXBFYZLASA-N 0 3 339.439 2.338 20 10 EECDHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000819843437 785689688 /nfs/dbraw/zinc/68/96/88/785689688.db2.gz LJOSDKNBHRQALZ-OAHLLOKOSA-N 0 3 347.484 2.342 20 10 EECDHN Cn1nc(CNCc2ccc(N3CCN(C)CC3)cc2)cc1C1CC1 ZINC000922956412 788434199 /nfs/dbraw/zinc/43/41/99/788434199.db2.gz YTEDCQIRSIJOAT-UHFFFAOYSA-N 0 3 339.487 2.339 20 10 EECDHN CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000825196445 788521597 /nfs/dbraw/zinc/52/15/97/788521597.db2.gz GVDXCYQWUOKMAK-CHWSQXEVSA-N 0 3 330.222 2.357 20 10 EECDHN CCOc1ccc(N2CCN(C3CCN(C(=O)OC)CC3)CC2)cc1 ZINC001172739867 797077209 /nfs/dbraw/zinc/07/72/09/797077209.db2.gz RHTCVSXXKIBEMM-UHFFFAOYSA-N 0 3 347.459 2.438 20 10 EECDHN CCCCN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](OC)C1 ZINC001082389682 797490413 /nfs/dbraw/zinc/49/04/13/797490413.db2.gz BUEUCKDJAGOQOY-HUUCEWRRSA-N 0 3 347.419 2.078 20 10 EECDHN CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000296674289 465229572 /nfs/dbraw/zinc/22/95/72/465229572.db2.gz ZDCLUQXEMKQGFN-CQSZACIVSA-N 0 3 340.395 2.257 20 10 EECDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000269021783 463849267 /nfs/dbraw/zinc/84/92/67/463849267.db2.gz PSVUCFYERLXLOR-HOCLYGCPSA-N 0 3 339.505 2.217 20 10 EECDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269261997 463933063 /nfs/dbraw/zinc/93/30/63/463933063.db2.gz WPVSGFOBTPTMAN-IIYDPXPESA-N 0 3 337.439 2.039 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)cc1F ZINC000278855486 463999287 /nfs/dbraw/zinc/99/92/87/463999287.db2.gz BALMPTFRKOEZBG-QGZVFWFLSA-N 0 3 347.434 2.110 20 10 EECDHN CCCOc1ccc(C[N@H+](C)CCCN2CCN(C)CC2)c([O-])c1 ZINC000289414548 464078192 /nfs/dbraw/zinc/07/81/92/464078192.db2.gz IGXKTWZQWUFJBB-UHFFFAOYSA-N 0 3 335.492 2.250 20 10 EECDHN CCCOc1ccc(C[N@@H+](C)CCCN2CCN(C)CC2)c([O-])c1 ZINC000289414548 464078195 /nfs/dbraw/zinc/07/81/95/464078195.db2.gz IGXKTWZQWUFJBB-UHFFFAOYSA-N 0 3 335.492 2.250 20 10 EECDHN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000289570278 464086001 /nfs/dbraw/zinc/08/60/01/464086001.db2.gz JMPCOJRKBVWWJM-AWEZNQCLSA-N 0 3 336.432 2.290 20 10 EECDHN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000289570278 464086007 /nfs/dbraw/zinc/08/60/07/464086007.db2.gz JMPCOJRKBVWWJM-AWEZNQCLSA-N 0 3 336.432 2.290 20 10 EECDHN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cc(F)ccc1[O-] ZINC000284500090 464216960 /nfs/dbraw/zinc/21/69/60/464216960.db2.gz AQHQFBCKPZDKJL-UCMVZMLTSA-N 0 3 346.406 2.278 20 10 EECDHN COc1ccc(N2CCCN(C(=O)C3CCN(C)CC3)CC2)cc1 ZINC000174718527 464442573 /nfs/dbraw/zinc/44/25/73/464442573.db2.gz AQBIMMVHDPZMGK-UHFFFAOYSA-N 0 3 331.460 2.076 20 10 EECDHN COCC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000182210570 464599570 /nfs/dbraw/zinc/59/95/70/464599570.db2.gz GTMHZLWIXOSGKK-CQSZACIVSA-N 0 3 332.238 2.340 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000273561309 464719379 /nfs/dbraw/zinc/71/93/79/464719379.db2.gz ICJMJSABPRZCFT-CJNGLKHVSA-N 0 3 337.439 2.125 20 10 EECDHN CN(C)C1(CNC(=O)NCc2ccccc2O)Cc2ccccc2C1 ZINC000266583539 464777221 /nfs/dbraw/zinc/77/72/21/464777221.db2.gz XNPNCCXLTDQEHV-UHFFFAOYSA-N 0 3 339.439 2.291 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000366459117 465740540 /nfs/dbraw/zinc/74/05/40/465740540.db2.gz WKERLSNCXCOPGH-MJGOQNOKSA-N 0 3 347.503 2.148 20 10 EECDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3C[C@H](F)CN3)ccc21 ZINC000653142608 471505474 /nfs/dbraw/zinc/50/54/74/471505474.db2.gz QAGQTDIITSKARN-HOTGVXAUSA-N 0 3 347.434 2.334 20 10 EECDHN Oc1cc2c(cc1CN1CCCN(c3ncccc3F)CC1)OCO2 ZINC000364848188 534448781 /nfs/dbraw/zinc/44/87/81/534448781.db2.gz ZAVWGIBYXMBCSP-UHFFFAOYSA-N 0 3 345.374 2.367 20 10 EECDHN CC1CCN(c2ccc(CNC(=S)NCCN(C)C)cc2)CC1 ZINC000730953105 577070209 /nfs/dbraw/zinc/07/02/09/577070209.db2.gz NKBRDTDXIVAZDN-UHFFFAOYSA-N 0 3 334.533 2.449 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C[C@@H]3CCOC3)C1)[C@H](O)CO2 ZINC000773252929 577327375 /nfs/dbraw/zinc/32/73/75/577327375.db2.gz BMUDUCXQZKSPST-QWQRMKEZSA-N 0 3 333.428 2.457 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C[C@@H]3CCOC3)C1)[C@H](O)CO2 ZINC000773252929 577327376 /nfs/dbraw/zinc/32/73/76/577327376.db2.gz BMUDUCXQZKSPST-QWQRMKEZSA-N 0 3 333.428 2.457 20 10 EECDHN NC(=O)CCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769467949 577578667 /nfs/dbraw/zinc/57/86/67/577578667.db2.gz ASGIZZWRVYQVFA-UHFFFAOYSA-N 0 3 349.450 2.140 20 10 EECDHN C[C@H](CC(N)=O)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000763398229 577720613 /nfs/dbraw/zinc/72/06/13/577720613.db2.gz KIYYSOZRHPFEQJ-VXGBXAGGSA-N 0 3 325.840 2.091 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000754081225 577799886 /nfs/dbraw/zinc/79/98/86/577799886.db2.gz PVWJQEIKRPHPOH-APWZRJJASA-N 0 3 331.412 2.365 20 10 EECDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000745788411 577918602 /nfs/dbraw/zinc/91/86/02/577918602.db2.gz KJCWYNNPJDEACR-PBHICJAKSA-N 0 3 330.476 2.351 20 10 EECDHN CCCN1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000749562660 577978146 /nfs/dbraw/zinc/97/81/46/577978146.db2.gz ZKZXNQMVASEUMU-SFHVURJKSA-N 0 3 331.460 2.218 20 10 EECDHN COc1cccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000821868418 599397440 /nfs/dbraw/zinc/39/74/40/599397440.db2.gz QMBTZOQSUNZJQK-NSHDSACASA-N 0 3 325.372 2.432 20 10 EECDHN Cc1ccc(O)c(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822258750 599452128 /nfs/dbraw/zinc/45/21/28/599452128.db2.gz BORCWEQPQAJKKA-UHFFFAOYSA-N 0 3 325.372 2.049 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCOCC2)N(C)C)cc1 ZINC000891247512 676242097 /nfs/dbraw/zinc/24/20/97/676242097.db2.gz HZDVBDUDUSTLLQ-AEFFLSMTSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2nccnc2Cl)N(C)C)cc1 ZINC000891248134 676243375 /nfs/dbraw/zinc/24/33/75/676243375.db2.gz VXJCMWQKIRDNJX-AWEZNQCLSA-N 0 3 347.850 2.229 20 10 EECDHN Cc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000891249022 676245239 /nfs/dbraw/zinc/24/52/39/676245239.db2.gz OYFBOPKZQVLSGX-GOSISDBHSA-N 0 3 341.459 2.192 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cccnc2)N(C)C)cc1 ZINC000891426719 676580566 /nfs/dbraw/zinc/58/05/66/676580566.db2.gz MQXRJSJRMNPUAC-SFHVURJKSA-N 0 3 341.459 2.250 20 10 EECDHN CC[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895322118 684488397 /nfs/dbraw/zinc/48/83/97/684488397.db2.gz ZDJGOLKMCCEJTJ-SQNIBIBYSA-N 0 3 348.491 2.222 20 10 EECDHN CCO/C=C/[C@](O)(CNCc1c(O)cccc1OC)C(F)(F)F ZINC000895705938 684690617 /nfs/dbraw/zinc/69/06/17/684690617.db2.gz DARUYLUIVMVRJU-NPQIQWPPSA-N 0 3 335.322 2.334 20 10 EECDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000124403620 685761942 /nfs/dbraw/zinc/76/19/42/685761942.db2.gz SLUHCPYHLYYJAV-GOSISDBHSA-N 0 3 349.450 2.153 20 10 EECDHN C[C@@H]1COCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899099103 693611511 /nfs/dbraw/zinc/61/15/11/693611511.db2.gz VMPAPHPLPOXYJP-MAUKXSAKSA-N 0 3 348.491 2.033 20 10 EECDHN CCCCN1C[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2)OCC1=O ZINC001272916324 1193601895 /nfs/dbraw/zinc/60/18/95/1193601895.db2.gz FHNSPVVOPLWBCY-HXUWFJFHSA-N 0 3 345.487 2.356 20 10 EECDHN CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272619815 1190934442 /nfs/dbraw/zinc/93/44/42/1190934442.db2.gz ZPGNSVBZZYZUQS-HNAYVOBHSA-N 0 3 332.444 2.242 20 10 EECDHN CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272619815 1190934446 /nfs/dbraw/zinc/93/44/46/1190934446.db2.gz ZPGNSVBZZYZUQS-HNAYVOBHSA-N 0 3 332.444 2.242 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302232 1204990620 /nfs/dbraw/zinc/99/06/20/1204990620.db2.gz YSMBKRKXKKYQPV-LIRRHRJNSA-N 0 3 330.428 2.103 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302232 1204990623 /nfs/dbraw/zinc/99/06/23/1204990623.db2.gz YSMBKRKXKKYQPV-LIRRHRJNSA-N 0 3 330.428 2.103 20 10 EECDHN COCCOCN1CCC12C[NH+](Cc1c([O-])ccc3ccccc31)C2 ZINC001276078167 1205762123 /nfs/dbraw/zinc/76/21/23/1205762123.db2.gz LQBCFPRUJQLASU-UHFFFAOYSA-N 0 3 342.439 2.426 20 10 EECDHN COCCOCN1CCC12CN(Cc1c(O)ccc3ccccc31)C2 ZINC001276078167 1205762124 /nfs/dbraw/zinc/76/21/24/1205762124.db2.gz LQBCFPRUJQLASU-UHFFFAOYSA-N 0 3 342.439 2.426 20 10 EECDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924899039 1206048189 /nfs/dbraw/zinc/04/81/89/1206048189.db2.gz AGHZCMRZVMAYDI-LLVKDONJSA-N 0 3 337.379 2.002 20 10 EECDHN CC[C@]1(C)NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185601 1234073868 /nfs/dbraw/zinc/07/38/68/1234073868.db2.gz PBOOQNZGGCVYHX-QAPCUYQASA-N 0 3 332.448 2.076 20 10 EECDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC3(CNC(=O)O3)CC2)c1 ZINC000902489879 1237706326 /nfs/dbraw/zinc/70/63/26/1237706326.db2.gz MALSJZNPFCMITO-UHFFFAOYSA-N 0 3 334.416 2.470 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2F)C[C@@H](C)O1 ZINC000827365073 1247965428 /nfs/dbraw/zinc/96/54/28/1247965428.db2.gz OMAYXFGHJRCYAS-VFVRVIDISA-N 0 3 349.450 2.183 20 10 EECDHN CC[C@@H](F)CN[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188252105 1279814681 /nfs/dbraw/zinc/81/46/81/1279814681.db2.gz XAPJRWOKMPZJSP-TZMCWYRMSA-N 0 3 335.383 2.401 20 10 EECDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000858496960 1294134444 /nfs/dbraw/zinc/13/44/44/1294134444.db2.gz BYZOZOAZEGXCHZ-ZLKJLUDKSA-N 0 3 330.425 2.042 20 10 EECDHN Cc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC001277566859 1303918984 /nfs/dbraw/zinc/91/89/84/1303918984.db2.gz BZGJHKPFJDPUJC-YVTWGWGSSA-N 0 3 344.455 2.301 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC2(CC(N(C)C)=NO2)CC1 ZINC001231852363 1303930973 /nfs/dbraw/zinc/93/09/73/1303930973.db2.gz JRNPJAUBOKSAQE-UHFFFAOYSA-N 0 3 346.475 2.391 20 10 EECDHN [O-]c1c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cccc1OC(F)(F)F ZINC001233736342 1304573115 /nfs/dbraw/zinc/57/31/15/1304573115.db2.gz IMEKMLKUEIQNLA-GFCCVEGCSA-N 0 3 347.333 2.407 20 10 EECDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237055626 1305780978 /nfs/dbraw/zinc/78/09/78/1305780978.db2.gz HMDFUAYOWLKPSK-CYBMUJFWSA-N 0 3 346.349 2.434 20 10 EECDHN CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237055626 1305780984 /nfs/dbraw/zinc/78/09/84/1305780984.db2.gz HMDFUAYOWLKPSK-CYBMUJFWSA-N 0 3 346.349 2.434 20 10 EECDHN CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237055626 1305780988 /nfs/dbraw/zinc/78/09/88/1305780988.db2.gz HMDFUAYOWLKPSK-CYBMUJFWSA-N 0 3 346.349 2.434 20 10 EECDHN CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237062415 1305781960 /nfs/dbraw/zinc/78/19/60/1305781960.db2.gz NGWSPAZTKAERIL-ZDUSSCGKSA-N 0 3 346.349 2.386 20 10 EECDHN CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237062415 1305781970 /nfs/dbraw/zinc/78/19/70/1305781970.db2.gz NGWSPAZTKAERIL-ZDUSSCGKSA-N 0 3 346.349 2.386 20 10 EECDHN CC[C@@H](C)C[C@@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001121926180 1310174874 /nfs/dbraw/zinc/17/48/74/1310174874.db2.gz KCOUPHHGHAMTJH-CZUORRHYSA-N 0 3 337.439 2.246 20 10 EECDHN O=C1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3F)C[C@H]12 ZINC001140667870 1314926602 /nfs/dbraw/zinc/92/66/02/1314926602.db2.gz KXSVMZUFXWWPNH-YOEHRIQHSA-N 0 3 332.419 2.463 20 10 EECDHN CC(=O)N[C@H]1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076506 1315037388 /nfs/dbraw/zinc/03/73/88/1315037388.db2.gz UIKWAJAZINXORJ-IBGZPJMESA-N 0 3 327.472 2.486 20 10 EECDHN CNS(=O)(=O)c1cccc(CNCc2ccc(N(C)C)cc2C)c1 ZINC000840929390 1315439283 /nfs/dbraw/zinc/43/92/83/1315439283.db2.gz KREPSSSYQKXPJB-UHFFFAOYSA-N 0 3 347.484 2.259 20 10 EECDHN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)NC[C@@H]3C)CC2)cc1 ZINC000841779370 1315611819 /nfs/dbraw/zinc/61/18/19/1315611819.db2.gz QSWKPXUYMZQGHB-GJZGRUSLSA-N 0 3 346.475 2.056 20 10 EECDHN COc1ccc(N2CCC(NC(=O)N3CCN[C@@H](C)[C@H]3C)CC2)cc1 ZINC000841779823 1315611919 /nfs/dbraw/zinc/61/19/19/1315611919.db2.gz ZNEUVGVTZCAVAF-LSDHHAIUSA-N 0 3 346.475 2.056 20 10 EECDHN COC(=O)Cc1ccc(CN2CC3(C2)C[C@H](F)CS3)c(O)c1 ZINC001249207744 1317022809 /nfs/dbraw/zinc/02/28/09/1317022809.db2.gz HRODAHKYAHEBCE-ZDUSSCGKSA-N 0 3 325.405 2.137 20 10 EECDHN COc1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001203634566 1321929232 /nfs/dbraw/zinc/92/92/32/1321929232.db2.gz MCBIEICITMFHGX-DZGCQCFKSA-N 0 3 334.416 2.452 20 10 EECDHN O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273008 1322098567 /nfs/dbraw/zinc/09/85/67/1322098567.db2.gz IYTLONRPSXLTEP-XLIONFOSSA-N 0 3 338.407 2.204 20 10 EECDHN O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273008 1322098576 /nfs/dbraw/zinc/09/85/76/1322098576.db2.gz IYTLONRPSXLTEP-XLIONFOSSA-N 0 3 338.407 2.204 20 10 EECDHN COC[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC ZINC000781417455 1371227295 /nfs/dbraw/zinc/22/72/95/1371227295.db2.gz YPKRKNRMDLCQKI-OAHLLOKOSA-N 0 3 337.420 2.336 20 10 EECDHN COc1cc([O-])c(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c(OC)c1 ZINC001141031070 1372744971 /nfs/dbraw/zinc/74/49/71/1372744971.db2.gz XEBKUGWBNBZJFY-CQSZACIVSA-N 0 3 336.432 2.241 20 10 EECDHN COc1cc([O-])c(C[N@@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c(OC)c1 ZINC001141031070 1372744975 /nfs/dbraw/zinc/74/49/75/1372744975.db2.gz XEBKUGWBNBZJFY-CQSZACIVSA-N 0 3 336.432 2.241 20 10 EECDHN CCC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092705418 780628525 /nfs/dbraw/zinc/62/85/25/780628525.db2.gz QQQHZGGFSPSNHW-QGZVFWFLSA-N 0 3 331.460 2.014 20 10 EECDHN Oc1cc(O)c(CN2CCN(c3ccc(F)cc3F)CC2)c(O)c1 ZINC001144514866 789913147 /nfs/dbraw/zinc/91/31/47/789913147.db2.gz VOJVMHNAJDTQPA-UHFFFAOYSA-N 0 3 336.338 2.404 20 10 EECDHN C[C@@H]1C[C@H]([NH3+])CN(Cc2ccc(I)cc2[O-])C1 ZINC001236052024 798325380 /nfs/dbraw/zinc/32/53/80/798325380.db2.gz ZKQGDTYJZDNQGO-SKDRFNHKSA-N 0 3 346.212 2.166 20 10 EECDHN COC1CC[NH+](C2(CNC(=O)c3cccc(O)c3[O-])CCCC2)CC1 ZINC000790667580 808854903 /nfs/dbraw/zinc/85/49/03/808854903.db2.gz CTMKXKQSURPAGT-UHFFFAOYSA-N 0 3 348.443 2.251 20 10 EECDHN CN1CCN(c2ccc(CNCc3nccc(C(F)F)n3)cc2)CC1 ZINC000808434972 812635761 /nfs/dbraw/zinc/63/57/61/812635761.db2.gz GVROXHQYHMZOCI-UHFFFAOYSA-N 0 3 347.413 2.456 20 10 EECDHN COC(=O)c1cn(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])nn1 ZINC000808719192 812819591 /nfs/dbraw/zinc/81/95/91/812819591.db2.gz ZLTQRENJLUISGQ-SNVBAGLBSA-N 0 3 338.795 2.083 20 10 EECDHN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090182460 533538507 /nfs/dbraw/zinc/53/85/07/533538507.db2.gz VOVHCXXXONTZRR-HIFRSBDPSA-N 0 3 347.434 2.076 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+][C@]2(CO)COc3ccccc3C2)c1 ZINC000527768416 317259143 /nfs/dbraw/zinc/25/91/43/317259143.db2.gz AHCIFZXEAUCOQX-LJQANCHMSA-N 0 3 329.396 2.247 20 10 EECDHN CN(C)c1ccc(CNC(=O)CN[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000119821208 462931840 /nfs/dbraw/zinc/93/18/40/462931840.db2.gz PMKSLHGPKQXMOP-INIZCTEOSA-N 0 3 333.476 2.305 20 10 EECDHN CS[C@H](CO)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268999310 463841844 /nfs/dbraw/zinc/84/18/44/463841844.db2.gz JJFIYSRNKPMYLR-IIYDPXPESA-N 0 3 342.480 2.425 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000289923766 464101880 /nfs/dbraw/zinc/10/18/80/464101880.db2.gz VWQCYNTZKVYRKU-OCCSQVGLSA-N 0 3 335.404 2.368 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000289923766 464101884 /nfs/dbraw/zinc/10/18/84/464101884.db2.gz VWQCYNTZKVYRKU-OCCSQVGLSA-N 0 3 335.404 2.368 20 10 EECDHN CN(C)CCOc1ccccc1C(=O)NCCc1ccc(N)cc1 ZINC000237185402 464279922 /nfs/dbraw/zinc/27/99/22/464279922.db2.gz YGZNKUGNPNKDIH-UHFFFAOYSA-N 0 3 327.428 2.182 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]1(C)CCCCN1 ZINC000237222195 464287338 /nfs/dbraw/zinc/28/73/38/464287338.db2.gz KCGKUBROBGOAPE-LJQANCHMSA-N 0 3 331.460 2.014 20 10 EECDHN COc1cccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1[O-] ZINC000285551709 464607467 /nfs/dbraw/zinc/60/74/67/464607467.db2.gz QWDXVJISJAJCLA-UHFFFAOYSA-N 0 3 340.379 2.177 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c([O-])c1 ZINC000285709952 464666967 /nfs/dbraw/zinc/66/69/67/464666967.db2.gz PKKVLUIGOIVFCU-ZIAGYGMSSA-N 0 3 338.473 2.308 20 10 EECDHN C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273361867 464712251 /nfs/dbraw/zinc/71/22/51/464712251.db2.gz AOCFMFFIFYQESF-KBPBESRZSA-N 0 3 349.431 2.452 20 10 EECDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(O)c1C ZINC000273467848 464717133 /nfs/dbraw/zinc/71/71/33/464717133.db2.gz JGBCJSMSFGNIBM-CZUORRHYSA-N 0 3 328.416 2.199 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000282505170 464844358 /nfs/dbraw/zinc/84/43/58/464844358.db2.gz RJBKATXGJOFLFO-INIZCTEOSA-N 0 3 348.403 2.160 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000282505170 464844365 /nfs/dbraw/zinc/84/43/65/464844365.db2.gz RJBKATXGJOFLFO-INIZCTEOSA-N 0 3 348.403 2.160 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000183349512 464853949 /nfs/dbraw/zinc/85/39/49/464853949.db2.gz PKFPERRPXGPJHA-LSDHHAIUSA-N 0 3 328.416 2.362 20 10 EECDHN CC(C)OCCN1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000267013736 464904759 /nfs/dbraw/zinc/90/47/59/464904759.db2.gz HIRPTVMHNGAALX-UHFFFAOYSA-N 0 3 335.448 2.081 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000184682761 465017683 /nfs/dbraw/zinc/01/76/83/465017683.db2.gz DUOZQAXLORDFRD-HNNXBMFYSA-N 0 3 340.851 2.351 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000184682761 465017684 /nfs/dbraw/zinc/01/76/84/465017684.db2.gz DUOZQAXLORDFRD-HNNXBMFYSA-N 0 3 340.851 2.351 20 10 EECDHN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000373544736 466841092 /nfs/dbraw/zinc/84/10/92/466841092.db2.gz CXYYPHHZZDOVID-GOSISDBHSA-N 0 3 326.444 2.424 20 10 EECDHN NC(=O)c1ccccc1N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000370830644 467018694 /nfs/dbraw/zinc/01/86/94/467018694.db2.gz OLFQHYPEJRGFGM-MRXNPFEDSA-N 0 3 337.423 2.089 20 10 EECDHN CC(C)[C@]1(CO)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000377685462 467116303 /nfs/dbraw/zinc/11/63/03/467116303.db2.gz YXPGHRVJOFPUPS-HXUWFJFHSA-N 0 3 347.503 2.051 20 10 EECDHN COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000771628161 577222322 /nfs/dbraw/zinc/22/23/22/577222322.db2.gz FSKNJGNSRXJTEK-BBRMVZONSA-N 0 3 349.427 2.229 20 10 EECDHN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000771628161 577222323 /nfs/dbraw/zinc/22/23/23/577222323.db2.gz FSKNJGNSRXJTEK-BBRMVZONSA-N 0 3 349.427 2.229 20 10 EECDHN COCCOC[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773022013 577310944 /nfs/dbraw/zinc/31/09/44/577310944.db2.gz AJUSRPZFUODIGV-CABCVRRESA-N 0 3 340.439 2.364 20 10 EECDHN C[C@H](NCC(=O)N1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000775256180 577433765 /nfs/dbraw/zinc/43/37/65/577433765.db2.gz WUPNWVYHMMCLRN-KRWDZBQOSA-N 0 3 345.487 2.432 20 10 EECDHN C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000775569171 577439808 /nfs/dbraw/zinc/43/98/08/577439808.db2.gz DXRPDGAZZIYSOL-AWEZNQCLSA-N 0 3 344.459 2.268 20 10 EECDHN CCOC(=O)CN(Cc1ccc(N2CCN(C)CC2)cc1)CC(C)C ZINC000775656578 577441899 /nfs/dbraw/zinc/44/18/99/577441899.db2.gz KMOIRDYKDPNUDD-UHFFFAOYSA-N 0 3 347.503 2.460 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCN(C)C2=O)c1[O-] ZINC000776232649 577455337 /nfs/dbraw/zinc/45/53/37/577455337.db2.gz SPKCLRLGXANMOV-LBPRGKRZSA-N 0 3 327.222 2.174 20 10 EECDHN CN(C)c1ccc(CNC[C@](C)(O)C(=O)OC(C)(C)C)cc1F ZINC000776519676 577461375 /nfs/dbraw/zinc/46/13/75/577461375.db2.gz CGVLFFKHJRTRJE-KRWDZBQOSA-N 0 3 326.412 2.074 20 10 EECDHN C[C@H](NCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000764926365 577491030 /nfs/dbraw/zinc/49/10/30/577491030.db2.gz SYRHDOSIMBZBHL-INIZCTEOSA-N 0 3 331.460 2.186 20 10 EECDHN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465349 577556518 /nfs/dbraw/zinc/55/65/18/577556518.db2.gz ZQUPLAQYNQRLJD-WBVHZDCISA-N 0 3 329.400 2.197 20 10 EECDHN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465349 577556519 /nfs/dbraw/zinc/55/65/19/577556519.db2.gz ZQUPLAQYNQRLJD-WBVHZDCISA-N 0 3 329.400 2.197 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000769107020 577569760 /nfs/dbraw/zinc/56/97/60/577569760.db2.gz JBYLWGZMPKNGPD-XHSDSOJGSA-N 0 3 334.460 2.474 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000769107020 577569761 /nfs/dbraw/zinc/56/97/61/577569761.db2.gz JBYLWGZMPKNGPD-XHSDSOJGSA-N 0 3 334.460 2.474 20 10 EECDHN C[C@@H](NCCC(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000764605888 577739792 /nfs/dbraw/zinc/73/97/92/577739792.db2.gz FHMMFLQWOHTHDG-MRXNPFEDSA-N 0 3 331.460 2.186 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000754081228 577799897 /nfs/dbraw/zinc/79/98/97/577799897.db2.gz PVWJQEIKRPHPOH-VQIMIIECSA-N 0 3 331.412 2.365 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(C)(C)O2)N(C)C)cc1 ZINC000891247158 676241378 /nfs/dbraw/zinc/24/13/78/676241378.db2.gz GCHRJJDBCNVIHT-IRXDYDNUSA-N 0 3 333.476 2.429 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2c[nH]nc2C2CC2)N(C)C)cc1 ZINC000891248417 676242422 /nfs/dbraw/zinc/24/24/22/676242422.db2.gz LMUAOUJWDQJIFH-KRWDZBQOSA-N 0 3 341.459 2.386 20 10 EECDHN COCC[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183039993 684234137 /nfs/dbraw/zinc/23/41/37/684234137.db2.gz PPYSEJMUPMYHJY-UHFFFAOYSA-N 0 3 331.412 2.412 20 10 EECDHN COCC[N@@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183039993 684234139 /nfs/dbraw/zinc/23/41/39/684234139.db2.gz PPYSEJMUPMYHJY-UHFFFAOYSA-N 0 3 331.412 2.412 20 10 EECDHN CCO[C@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895295623 684455296 /nfs/dbraw/zinc/45/52/96/684455296.db2.gz XNZFNKDFQFCFBD-JQHSSLGASA-N 0 3 348.491 2.222 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1[O-] ZINC000895316891 684482194 /nfs/dbraw/zinc/48/21/94/684482194.db2.gz SCEDLQWIWPEPOC-LBPRGKRZSA-N 0 3 327.222 2.077 20 10 EECDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC(C)(C)C ZINC000123289269 684793166 /nfs/dbraw/zinc/79/31/66/684793166.db2.gz ZWWQMHQEBZLMCX-LSDHHAIUSA-N 0 3 333.476 2.477 20 10 EECDHN Cc1ncoc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896146144 684861325 /nfs/dbraw/zinc/86/13/25/684861325.db2.gz NVQQJRHAAFBCJY-INIZCTEOSA-N 0 3 345.447 2.151 20 10 EECDHN CC[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899102980 693607158 /nfs/dbraw/zinc/60/71/58/693607158.db2.gz UAZKXRRBDXKBRS-ROUUACIJSA-N 0 3 348.491 2.176 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@]2(C)CCCOC2)N(C)C)cc1 ZINC000899104971 693607458 /nfs/dbraw/zinc/60/74/58/693607458.db2.gz UGSSSSSBBLKTMY-MJGOQNOKSA-N 0 3 348.491 2.224 20 10 EECDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCCO1 ZINC000899100696 693612668 /nfs/dbraw/zinc/61/26/68/693612668.db2.gz BRKLZZCFMOLLBT-QAPCUYQASA-N 0 3 348.491 2.176 20 10 EECDHN O=C1C[C@]2(CN1C1CCCC1)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618467 1190933139 /nfs/dbraw/zinc/93/31/39/1190933139.db2.gz IWJLZMHGRQBTDH-FQEVSTJZSA-N 0 3 344.455 2.386 20 10 EECDHN O=C1C[C@]2(CN1C1CCCC1)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618467 1190933141 /nfs/dbraw/zinc/93/31/41/1190933141.db2.gz IWJLZMHGRQBTDH-FQEVSTJZSA-N 0 3 344.455 2.386 20 10 EECDHN CCOCCN1CC[C@@]2(CCCN2Cc2ccc(OC)cc2O)C1=O ZINC001272625648 1190937795 /nfs/dbraw/zinc/93/77/95/1190937795.db2.gz NMWIQEGMXYWJQK-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN CC(C)=CCN1CC[C@@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982518 1194291215 /nfs/dbraw/zinc/29/12/15/1194291215.db2.gz JJQCHAVERDHDKS-LJQANCHMSA-N 0 3 330.428 2.488 20 10 EECDHN CC(C)=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982518 1194291219 /nfs/dbraw/zinc/29/12/19/1194291219.db2.gz JJQCHAVERDHDKS-LJQANCHMSA-N 0 3 330.428 2.488 20 10 EECDHN Cc1cc(CN2CCC[C@]23CCN(C2COC2)C3=O)ccc1N(C)C ZINC001273206519 1197537334 /nfs/dbraw/zinc/53/73/34/1197537334.db2.gz OUNZGNIUPGBJNB-HXUWFJFHSA-N 0 3 343.471 2.027 20 10 EECDHN CCOc1cccc(CNC[C@H](n2cncn2)C(F)(F)F)c1O ZINC000865682463 1198330157 /nfs/dbraw/zinc/33/01/57/1198330157.db2.gz GAIBQMRFUNBVOE-LBPRGKRZSA-N 0 3 330.310 2.276 20 10 EECDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000876729728 1199743193 /nfs/dbraw/zinc/74/31/93/1199743193.db2.gz VMVBGESQWURAPB-LJQANCHMSA-N 0 3 347.503 2.275 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@H](N)CCC(C)C)CC2)cc1F ZINC000876782137 1199772519 /nfs/dbraw/zinc/77/25/19/1199772519.db2.gz OZDJCGOJKHPWAC-MRXNPFEDSA-N 0 3 337.439 2.246 20 10 EECDHN Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1[C@H]1CCCO1)[C@@H](O)CO2 ZINC000811791103 1200333040 /nfs/dbraw/zinc/33/30/40/1200333040.db2.gz GICLRUBUFDJLGE-JZXOWHBKSA-N 0 3 331.412 2.352 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)[C@@H](O)CO2 ZINC000811791103 1200333049 /nfs/dbraw/zinc/33/30/49/1200333049.db2.gz GICLRUBUFDJLGE-JZXOWHBKSA-N 0 3 331.412 2.352 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)[C@@H](O)CO2 ZINC000811791103 1200333060 /nfs/dbraw/zinc/33/30/60/1200333060.db2.gz GICLRUBUFDJLGE-JZXOWHBKSA-N 0 3 331.412 2.352 20 10 EECDHN Cc1ccc(CN2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c(O)c1 ZINC001276169836 1205811738 /nfs/dbraw/zinc/81/17/38/1205811738.db2.gz XOEUBLBLEAXVKB-HKUYNNGSSA-N 0 3 327.428 2.114 20 10 EECDHN CO[C@H](C)CN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674502 1223329036 /nfs/dbraw/zinc/32/90/36/1223329036.db2.gz RWBWIJUMZKGGRO-IUODEOHRSA-N 0 3 347.419 2.078 20 10 EECDHN CCN1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)C1(C)C ZINC000900184365 1234072701 /nfs/dbraw/zinc/07/27/01/1234072701.db2.gz AIJVKWBMXRHQNB-MRXNPFEDSA-N 0 3 346.475 2.418 20 10 EECDHN CC[C@@]1(C)NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185600 1234073962 /nfs/dbraw/zinc/07/39/62/1234073962.db2.gz PBOOQNZGGCVYHX-MAUKXSAKSA-N 0 3 332.448 2.076 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)N2CCCC2)c1[O-] ZINC000903290729 1240186095 /nfs/dbraw/zinc/18/60/95/1240186095.db2.gz DBBCCUYVBFOCJO-LBPRGKRZSA-N 0 3 346.880 2.430 20 10 EECDHN O=C1c2cccc(O[C@H]3C[NH2+]CC[C@@H]3F)c2C(=O)c2cccc([O-])c21 ZINC001217958455 1297536665 /nfs/dbraw/zinc/53/66/65/1297536665.db2.gz FHRIKHSTKFKYEU-WFASDCNBSA-N 0 3 341.338 2.246 20 10 EECDHN CCc1ccc(CN2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c(O)c1 ZINC001276804567 1297992191 /nfs/dbraw/zinc/99/21/91/1297992191.db2.gz HAJCEEOYMVQPBU-ICSRJNTNSA-N 0 3 341.455 2.368 20 10 EECDHN CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c(O)c1 ZINC001276815557 1298505202 /nfs/dbraw/zinc/50/52/02/1298505202.db2.gz VZBNLEKVYXBKEE-CALCHBBNSA-N 0 3 342.443 2.363 20 10 EECDHN COCCN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277446427 1303079030 /nfs/dbraw/zinc/07/90/30/1303079030.db2.gz PUYANQBTPBOJFY-INIZCTEOSA-N 0 3 332.444 2.099 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001231467905 1303809587 /nfs/dbraw/zinc/80/95/87/1303809587.db2.gz NOLCUITYNNPVEB-YLJYHZDGSA-N 0 3 343.423 2.146 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001231467905 1303809593 /nfs/dbraw/zinc/80/95/93/1303809593.db2.gz NOLCUITYNNPVEB-YLJYHZDGSA-N 0 3 343.423 2.146 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1[O-] ZINC001233110152 1304362620 /nfs/dbraw/zinc/36/26/20/1304362620.db2.gz WNBPOTSWHPPFEH-GWCFXTLKSA-N 0 3 339.233 2.031 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1[O-] ZINC001233110152 1304362624 /nfs/dbraw/zinc/36/26/24/1304362624.db2.gz WNBPOTSWHPPFEH-GWCFXTLKSA-N 0 3 339.233 2.031 20 10 EECDHN Cc1ccc(N2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cc1 ZINC000784010976 1304399174 /nfs/dbraw/zinc/39/91/74/1304399174.db2.gz FCYGUVRXVJNTAX-IBGZPJMESA-N 0 3 340.423 2.449 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1Br ZINC001235077348 1305108115 /nfs/dbraw/zinc/10/81/15/1305108115.db2.gz AQWLVYRLZBYHHD-VXGBXAGGSA-N 0 3 327.222 2.100 20 10 EECDHN COCCN(Cc1cc(C)c(Br)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC001236335614 1305562822 /nfs/dbraw/zinc/56/28/22/1305562822.db2.gz QFBUJEXEQOUWOW-CYBMUJFWSA-N 0 3 343.265 2.273 20 10 EECDHN COc1cc(O)c(CN2CC[C@@]3(C2)CC(F)(F)CO3)cc1OC ZINC001236757136 1305661482 /nfs/dbraw/zinc/66/14/82/1305661482.db2.gz GYFREHYDQPSUDR-HNNXBMFYSA-N 0 3 329.343 2.410 20 10 EECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(OCC)cc1[O-])C2 ZINC001237049068 1305778832 /nfs/dbraw/zinc/77/88/32/1305778832.db2.gz CXJSBVBERNRLAT-IEBWSBKVSA-N 0 3 349.427 2.335 20 10 EECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(OCC)cc1[O-])C2 ZINC001237049068 1305778842 /nfs/dbraw/zinc/77/88/42/1305778842.db2.gz CXJSBVBERNRLAT-IEBWSBKVSA-N 0 3 349.427 2.335 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3nccc(OC)n3)C2)c([O-])c1 ZINC001237048666 1305778941 /nfs/dbraw/zinc/77/89/41/1305778941.db2.gz VIIZXQAJJUHMQC-HNNXBMFYSA-N 0 3 345.399 2.243 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3nccc(OC)n3)C2)c([O-])c1 ZINC001237048666 1305778952 /nfs/dbraw/zinc/77/89/52/1305778952.db2.gz VIIZXQAJJUHMQC-HNNXBMFYSA-N 0 3 345.399 2.243 20 10 EECDHN COC(=O)[C@@H]1CCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237677400 1306040592 /nfs/dbraw/zinc/04/05/92/1306040592.db2.gz MOWKPAJUAZWVIF-SNVBAGLBSA-N 0 3 328.206 2.458 20 10 EECDHN CCN(C(C)=O)C1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237686010 1306046479 /nfs/dbraw/zinc/04/64/79/1306046479.db2.gz WRACDGNFGRHXLA-UHFFFAOYSA-N 0 3 336.432 2.242 20 10 EECDHN COCC[N@H+](Cc1cc(F)cc(C)c1[O-])C1CCN(C(C)=O)CC1 ZINC001238062871 1306205934 /nfs/dbraw/zinc/20/59/34/1306205934.db2.gz TVAVYCQVLLTFTI-UHFFFAOYSA-N 0 3 338.423 2.299 20 10 EECDHN COCC[N@@H+](Cc1cc(F)cc(C)c1[O-])C1CCN(C(C)=O)CC1 ZINC001238062871 1306205940 /nfs/dbraw/zinc/20/59/40/1306205940.db2.gz TVAVYCQVLLTFTI-UHFFFAOYSA-N 0 3 338.423 2.299 20 10 EECDHN C[C@@H]1CC2(CN1CC(=O)NCc1ccc(N(C)C)cc1)CCOCC2 ZINC000830617436 1314543374 /nfs/dbraw/zinc/54/33/74/1314543374.db2.gz LALRNUXTCHDBID-MRXNPFEDSA-N 0 3 345.487 2.260 20 10 EECDHN Cc1ccc(C)c(CN2CCCn3cnc(COCCO)c3C2)c1O ZINC001140181979 1314828484 /nfs/dbraw/zinc/82/84/84/1314828484.db2.gz ZAEPEUPRALINKP-UHFFFAOYSA-N 0 3 345.443 2.120 20 10 EECDHN CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249178369 1317018913 /nfs/dbraw/zinc/01/89/13/1317018913.db2.gz QOUGSRZWXSQENT-HNNXBMFYSA-N 0 3 349.427 2.273 20 10 EECDHN CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249178369 1317018923 /nfs/dbraw/zinc/01/89/23/1317018923.db2.gz QOUGSRZWXSQENT-HNNXBMFYSA-N 0 3 349.427 2.273 20 10 EECDHN COc1ccc(OC[C@H](O)C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001252717010 1317674716 /nfs/dbraw/zinc/67/47/16/1317674716.db2.gz BRHVZDLLKZBUCR-OAHLLOKOSA-N 0 3 329.396 2.199 20 10 EECDHN COc1ccc(OC[C@H](O)C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001252717010 1317674720 /nfs/dbraw/zinc/67/47/20/1317674720.db2.gz BRHVZDLLKZBUCR-OAHLLOKOSA-N 0 3 329.396 2.199 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC001308712008 1331602242 /nfs/dbraw/zinc/60/22/42/1331602242.db2.gz YGFRQZYSTSPKRX-LLVKDONJSA-N 0 3 346.349 2.210 20 10 EECDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC001308712008 1331602244 /nfs/dbraw/zinc/60/22/44/1331602244.db2.gz YGFRQZYSTSPKRX-LLVKDONJSA-N 0 3 346.349 2.210 20 10 EECDHN COc1cc(C)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC001308780468 1331604922 /nfs/dbraw/zinc/60/49/22/1331604922.db2.gz JRWRHFPEQGFQFO-CYBMUJFWSA-N 0 3 347.436 2.370 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC001320523115 1332902562 /nfs/dbraw/zinc/90/25/62/1332902562.db2.gz VWVLXBHUBSRMCY-WMLDXEAASA-N 0 3 331.416 2.222 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC001320523115 1332902564 /nfs/dbraw/zinc/90/25/64/1332902564.db2.gz VWVLXBHUBSRMCY-WMLDXEAASA-N 0 3 331.416 2.222 20 10 EECDHN COCCN1CC[C@]2(CCC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001140952184 1372726303 /nfs/dbraw/zinc/72/63/03/1372726303.db2.gz HPHQPBAYDGZRLY-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN COCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001140952184 1372726307 /nfs/dbraw/zinc/72/63/07/1372726307.db2.gz HPHQPBAYDGZRLY-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN COc1cccc(C[NH2+][C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1O ZINC001591640147 1403931122 /nfs/dbraw/zinc/93/11/22/1403931122.db2.gz ZTQNTPLFMKTHSQ-OAHLLOKOSA-N 0 3 337.383 2.358 20 10 EECDHN COc1cc(Br)cc(C[N@H+](C)C[C@H](O)C2CC2)c1[O-] ZINC000809752842 783362770 /nfs/dbraw/zinc/36/27/70/783362770.db2.gz WWOODACSDREHTA-LBPRGKRZSA-N 0 3 330.222 2.366 20 10 EECDHN COc1cc(Br)cc(C[N@@H+](C)C[C@H](O)C2CC2)c1[O-] ZINC000809752842 783362780 /nfs/dbraw/zinc/36/27/80/783362780.db2.gz WWOODACSDREHTA-LBPRGKRZSA-N 0 3 330.222 2.366 20 10 EECDHN O=C(CNCc1cccc(Cl)c1[O-])NCC[NH+]1CCCCCC1 ZINC000816620953 784156378 /nfs/dbraw/zinc/15/63/78/784156378.db2.gz SHZROUKWDKEDMH-UHFFFAOYSA-N 0 3 339.867 2.127 20 10 EECDHN COc1ccc(N2CC[C@@H](CN[C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000818115872 785189330 /nfs/dbraw/zinc/18/93/30/785189330.db2.gz DBCYWDNCSBNCCF-HNAYVOBHSA-N 0 3 339.439 2.338 20 10 EECDHN CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000825196253 788521647 /nfs/dbraw/zinc/52/16/47/788521647.db2.gz ARZHTTYCFLMXKP-DGCLKSJQSA-N 0 3 346.221 2.057 20 10 EECDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000785539402 806511258 /nfs/dbraw/zinc/51/12/58/806511258.db2.gz AMTBKCAKKPSCSP-MDZRGWNJSA-N 0 3 347.503 2.192 20 10 EECDHN COC(=O)CCn1nc(C)c(C[NH2+]Cc2ccc(OC)cc2[O-])c1C ZINC000793389386 810313023 /nfs/dbraw/zinc/31/30/23/810313023.db2.gz XOYOEICJCXVADN-UHFFFAOYSA-N 0 3 347.415 2.067 20 10 EECDHN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)cc1C ZINC000092473378 237034091 /nfs/dbraw/zinc/03/40/91/237034091.db2.gz QIJLXAQGYNDUSM-QGZVFWFLSA-N 0 3 325.449 2.243 20 10 EECDHN Cc1cc([O-])c(C[N@H+](C)C[C@@H](O)COCCOC(C)C)cc1C ZINC000092473378 237034098 /nfs/dbraw/zinc/03/40/98/237034098.db2.gz QIJLXAQGYNDUSM-QGZVFWFLSA-N 0 3 325.449 2.243 20 10 EECDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)Cn1cccn1 ZINC000051476391 132181235 /nfs/dbraw/zinc/18/12/35/132181235.db2.gz NQNXDBAXDHMHKA-LJQANCHMSA-N 0 3 328.460 2.366 20 10 EECDHN CN1CCC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000153913574 462708000 /nfs/dbraw/zinc/70/80/00/462708000.db2.gz UVTYUEDHEGHWLG-QGZVFWFLSA-N 0 3 332.444 2.242 20 10 EECDHN O=C1C[C@@H](c2ccccc2)N(Cc2cc3c(cc2O)OCO3)CCN1 ZINC000129562796 462713050 /nfs/dbraw/zinc/71/30/50/462713050.db2.gz WBCFTZVDQZQHJF-HNNXBMFYSA-N 0 3 340.379 2.184 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000180070809 464235091 /nfs/dbraw/zinc/23/50/91/464235091.db2.gz YEOGJZUBGGHAFN-ZDUSSCGKSA-N 0 3 328.416 2.318 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000180070809 464235096 /nfs/dbraw/zinc/23/50/96/464235096.db2.gz YEOGJZUBGGHAFN-ZDUSSCGKSA-N 0 3 328.416 2.318 20 10 EECDHN CCOc1cccc(CN2CCSC[C@@H]2CC(=O)OC)c1O ZINC000271162720 464285722 /nfs/dbraw/zinc/28/57/22/464285722.db2.gz AYUYROFKDUNRCV-ZDUSSCGKSA-N 0 3 325.430 2.271 20 10 EECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000293524389 464408989 /nfs/dbraw/zinc/40/89/89/464408989.db2.gz BGAJRUOQHSTKTJ-GOSISDBHSA-N 0 3 330.403 2.040 20 10 EECDHN COC(=O)/C=C/c1ccc(N2CC[C@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272223784 464524955 /nfs/dbraw/zinc/52/49/55/464524955.db2.gz SLJGWXLQGJPRKH-XSCIRMLOSA-N 0 3 345.399 2.311 20 10 EECDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000295080884 464698449 /nfs/dbraw/zinc/69/84/49/464698449.db2.gz QIGILFMRXOIQAJ-AWEZNQCLSA-N 0 3 345.484 2.089 20 10 EECDHN C[C@H](NCC(=O)N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000183359455 464855596 /nfs/dbraw/zinc/85/55/96/464855596.db2.gz ZQSBKUFVUABEDL-INIZCTEOSA-N 0 3 331.460 2.186 20 10 EECDHN COc1cc(O)c(CN2CCC(NC(=O)C3CCC3)CC2)cc1OC ZINC000362620671 465888518 /nfs/dbraw/zinc/88/85/18/465888518.db2.gz GVMYNUVIYWCVLT-UHFFFAOYSA-N 0 3 348.443 2.290 20 10 EECDHN O[C@H]1c2ccccc2OC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000367285279 466237820 /nfs/dbraw/zinc/23/78/20/466237820.db2.gz CUNWYJHXFVENDK-QUCCMNQESA-N 0 3 340.423 2.107 20 10 EECDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000324394103 466646604 /nfs/dbraw/zinc/64/66/04/466646604.db2.gz QZKPTOAJZRUQRZ-MLGOLLRUSA-N 0 3 331.416 2.318 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000093665023 528664362 /nfs/dbraw/zinc/66/43/62/528664362.db2.gz KEEXLWVPYGBPTK-MRXNPFEDSA-N 0 3 334.460 2.335 20 10 EECDHN CCCOc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000093665023 528664365 /nfs/dbraw/zinc/66/43/65/528664365.db2.gz KEEXLWVPYGBPTK-MRXNPFEDSA-N 0 3 334.460 2.335 20 10 EECDHN CCOc1ccc(O)c(CNCC(=O)N2CCc3ccccc32)c1 ZINC000729684720 576672459 /nfs/dbraw/zinc/67/24/59/576672459.db2.gz FFFVDTDZQBUGBB-UHFFFAOYSA-N 0 3 326.396 2.470 20 10 EECDHN CN(C)c1ccc(CN(Cc2cc(=O)n3nccc3[nH]2)C2CC2)cc1 ZINC000771790462 577229977 /nfs/dbraw/zinc/22/99/77/577229977.db2.gz CLFKGIQQFXUYQS-UHFFFAOYSA-N 0 3 337.427 2.253 20 10 EECDHN CN1CCN(c2ccc(CN[C@@](C)(CO)c3ccccc3)cc2)CC1 ZINC000771853792 577234426 /nfs/dbraw/zinc/23/44/26/577234426.db2.gz PARKFHGCTYFYIH-NRFANRHFSA-N 0 3 339.483 2.436 20 10 EECDHN COc1ccc(O)c(CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000734065045 577273204 /nfs/dbraw/zinc/27/32/04/577273204.db2.gz SOBDRHLDMHFTKH-KGLIPLIRSA-N 0 3 335.448 2.463 20 10 EECDHN CCOC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775642359 577441571 /nfs/dbraw/zinc/44/15/71/577441571.db2.gz FURTYPUTAVIRSY-IBGZPJMESA-N 0 3 345.487 2.356 20 10 EECDHN C[C@H](NCCn1ccccc1=O)c1ccc(N2CCOCC2)cc1 ZINC000765395327 577500220 /nfs/dbraw/zinc/50/02/20/577500220.db2.gz HAVRIMBFLMDXMS-INIZCTEOSA-N 0 3 327.428 2.036 20 10 EECDHN [O-]c1cc2c(cc1CN1CCC[C@H]([NH+]3CCCC3)CC1)[C@@H](O)CO2 ZINC000768448905 577556035 /nfs/dbraw/zinc/55/60/35/577556035.db2.gz YCYONKDUMLKYBL-YJBOKZPZSA-N 0 3 332.444 2.268 20 10 EECDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000745788417 577918583 /nfs/dbraw/zinc/91/85/83/577918583.db2.gz KJCWYNNPJDEACR-YOEHRIQHSA-N 0 3 330.476 2.351 20 10 EECDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)nn1 ZINC000891248708 676244769 /nfs/dbraw/zinc/24/47/69/676244769.db2.gz NDSKDQSHYLXQPE-GOSISDBHSA-N 0 3 341.459 2.192 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc[nH]c2=S)N(C)C)cc1 ZINC000891252113 676246905 /nfs/dbraw/zinc/24/69/05/676246905.db2.gz GIQLGEXZNDGICN-MRXNPFEDSA-N 0 3 344.484 2.469 20 10 EECDHN Cc1nc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000891257909 676253076 /nfs/dbraw/zinc/25/30/76/676253076.db2.gz MUMXEUHEJZTPBN-QGZVFWFLSA-N 0 3 346.500 2.479 20 10 EECDHN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CN(CCCF)C1 ZINC000970955341 676268679 /nfs/dbraw/zinc/26/86/79/676268679.db2.gz UYBQBUGPBMRKEU-NSHDSACASA-N 0 3 335.383 2.259 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC4(CCC4)C3)CC2)cc1 ZINC000176933667 679702191 /nfs/dbraw/zinc/70/21/91/679702191.db2.gz BGUPQPUKKKFMNL-UHFFFAOYSA-N 0 3 343.471 2.220 20 10 EECDHN Cc1cc(N)nc(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000894151549 681790269 /nfs/dbraw/zinc/79/02/69/681790269.db2.gz PWAPLJXHXDHZEL-UHFFFAOYSA-N 0 3 335.358 2.094 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1ccccc1)cc2=O ZINC000181359075 682282674 /nfs/dbraw/zinc/28/26/74/682282674.db2.gz AYIPILCBHATIBJ-LBPRGKRZSA-N 0 3 340.383 2.462 20 10 EECDHN CCn1nc(C)c(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898449327 693319558 /nfs/dbraw/zinc/31/95/58/693319558.db2.gz BLPOGFHWKYRVQV-GOSISDBHSA-N 0 3 330.480 2.065 20 10 EECDHN COCC(C)(C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101724 693606106 /nfs/dbraw/zinc/60/61/06/693606106.db2.gz LDIFPXOURGIRSZ-MRXNPFEDSA-N 0 3 336.480 2.080 20 10 EECDHN CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618634 1190932943 /nfs/dbraw/zinc/93/29/43/1190932943.db2.gz KTRTWQMJNPZGKH-IBGZPJMESA-N 0 3 332.444 2.386 20 10 EECDHN CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618634 1190932945 /nfs/dbraw/zinc/93/29/45/1190932945.db2.gz KTRTWQMJNPZGKH-IBGZPJMESA-N 0 3 332.444 2.386 20 10 EECDHN CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619845 1190934618 /nfs/dbraw/zinc/93/46/18/1190934618.db2.gz ZXPWYTNFMLXHFT-XJKSGUPXSA-N 0 3 330.428 2.088 20 10 EECDHN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(CCOC)C1 ZINC001034052824 1195684147 /nfs/dbraw/zinc/68/41/47/1195684147.db2.gz MFUSQTFDMGDXEM-HNNXBMFYSA-N 0 3 347.419 2.032 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000876922775 1199820223 /nfs/dbraw/zinc/82/02/23/1199820223.db2.gz KSMONXYCVQTRDB-UHFFFAOYSA-N 0 3 345.443 2.435 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccccc1[O-] ZINC000879648725 1201193944 /nfs/dbraw/zinc/19/39/44/1201193944.db2.gz AUXGXZCXPMDKJB-LLVKDONJSA-N 0 3 333.413 2.130 20 10 EECDHN Cc1cc(F)cc(C[N@@H+]2CCCC[C@]23CC(=O)N(C2COC2)C3)c1[O-] ZINC001274099225 1204370229 /nfs/dbraw/zinc/37/02/29/1204370229.db2.gz AEJZQUPUUCRLCK-LJQANCHMSA-N 0 3 348.418 2.196 20 10 EECDHN Cc1cc(F)cc(C[N@H+]2CCCC[C@]23CC(=O)N(C2COC2)C3)c1[O-] ZINC001274099225 1204370233 /nfs/dbraw/zinc/37/02/33/1204370233.db2.gz AEJZQUPUUCRLCK-LJQANCHMSA-N 0 3 348.418 2.196 20 10 EECDHN COc1ccc(C[N@@H+]2CCCC3(CN(C(=O)NC(C)C)C3)C2)c([O-])c1 ZINC001275276452 1205295788 /nfs/dbraw/zinc/29/57/88/1205295788.db2.gz ZPTNKPFKHZBAGT-UHFFFAOYSA-N 0 3 347.459 2.417 20 10 EECDHN COc1ccc(C[N@H+]2CCCC3(CN(C(=O)NC(C)C)C3)C2)c([O-])c1 ZINC001275276452 1205295790 /nfs/dbraw/zinc/29/57/90/1205295790.db2.gz ZPTNKPFKHZBAGT-UHFFFAOYSA-N 0 3 347.459 2.417 20 10 EECDHN Cc1cc(C)c(CN2C[C@@H]3[C@H](C2)OCCN3C(=O)NC(C)C)c(O)c1 ZINC001276364792 1216919547 /nfs/dbraw/zinc/91/95/47/1216919547.db2.gz FNYZNFKTVUECIJ-AEFFLSMTSA-N 0 3 347.459 2.012 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCN2CC2CCC2)cc1 ZINC001039059268 1230271163 /nfs/dbraw/zinc/27/11/63/1230271163.db2.gz FGRVKOFIJFXKLC-OAHLLOKOSA-N 0 3 329.404 2.453 20 10 EECDHN CN(C)c1ccc([C@H](CN[C@@H](C(N)=O)c2ccccc2)N(C)C)cc1 ZINC000901706295 1236188231 /nfs/dbraw/zinc/18/82/31/1236188231.db2.gz KIVQCUXFQMADCB-RBUKOAKNSA-N 0 3 340.471 2.172 20 10 EECDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnccc1N ZINC000854230403 1292679337 /nfs/dbraw/zinc/67/93/37/1292679337.db2.gz OUGVCKJSHAIEQD-AWEZNQCLSA-N 0 3 326.444 2.306 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C[NH2+]CC[C@@H]3F)cccc21 ZINC001217959612 1297537305 /nfs/dbraw/zinc/53/73/05/1297537305.db2.gz WSWGZMCMUHRZEI-WFASDCNBSA-N 0 3 341.338 2.246 20 10 EECDHN CCc1ccc(C[N@@H+]2CCCC3(CN(COCCOC)C3)C2)c([O-])c1 ZINC001276805361 1298037292 /nfs/dbraw/zinc/03/72/92/1298037292.db2.gz UUDNKUHIGRYUNE-UHFFFAOYSA-N 0 3 348.487 2.473 20 10 EECDHN CCc1ccc(C[N@H+]2CCCC3(CN(COCCOC)C3)C2)c([O-])c1 ZINC001276805361 1298037304 /nfs/dbraw/zinc/03/73/04/1298037304.db2.gz UUDNKUHIGRYUNE-UHFFFAOYSA-N 0 3 348.487 2.473 20 10 EECDHN C[C@@H](NC(=O)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2)c1ncc[nH]1 ZINC001277442240 1303035739 /nfs/dbraw/zinc/03/57/39/1303035739.db2.gz UTOHYYSUJZQRQZ-RGZNSWCXSA-N 0 3 326.400 2.005 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC3(CC[C@@H](C(N)=O)C3)CC2)c(OC)c1 ZINC001277588600 1303949706 /nfs/dbraw/zinc/94/97/06/1303949706.db2.gz OASDNZPZXJYBAY-CYBMUJFWSA-N 0 3 348.443 2.277 20 10 EECDHN CN1CC[C@@H]([N@H+](C)Cc2ccc(I)cc2[O-])C1 ZINC001232977764 1304313707 /nfs/dbraw/zinc/31/37/07/1304313707.db2.gz LIUWBSULBAIYKB-GFCCVEGCSA-N 0 3 346.212 2.133 20 10 EECDHN CN1CC[C@@H]([N@@H+](C)Cc2ccc(I)cc2[O-])C1 ZINC001232977764 1304313713 /nfs/dbraw/zinc/31/37/13/1304313713.db2.gz LIUWBSULBAIYKB-GFCCVEGCSA-N 0 3 346.212 2.133 20 10 EECDHN Oc1ccc(F)c(F)c1CN1CCN(CCc2ccncc2)CC1 ZINC001233334443 1304434911 /nfs/dbraw/zinc/43/49/11/1304434911.db2.gz HCILVZHFDSHHEJ-UHFFFAOYSA-N 0 3 333.382 2.426 20 10 EECDHN C[N@H+](C1CN(Cc2cccc(C(F)(F)F)c2[O-])C1)[C@H]1CCOC1 ZINC001233418596 1304461950 /nfs/dbraw/zinc/46/19/50/1304461950.db2.gz NPPWYCODKYVFAL-LBPRGKRZSA-N 0 3 330.350 2.316 20 10 EECDHN C[N@@H+](C1CN(Cc2cccc(C(F)(F)F)c2[O-])C1)[C@H]1CCOC1 ZINC001233418596 1304461954 /nfs/dbraw/zinc/46/19/54/1304461954.db2.gz NPPWYCODKYVFAL-LBPRGKRZSA-N 0 3 330.350 2.316 20 10 EECDHN COc1cc([O-])c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(Br)c1 ZINC001235048127 1305097211 /nfs/dbraw/zinc/09/72/11/1305097211.db2.gz AZLMNZQNXCUQHU-QWHCGFSZSA-N 0 3 327.222 2.100 20 10 EECDHN CCOCCN(CCOCC)Cc1cc(OC)c(OC)cc1O ZINC001236751456 1305657892 /nfs/dbraw/zinc/65/78/92/1305657892.db2.gz DYKAADLJKLOQBO-UHFFFAOYSA-N 0 3 327.421 2.284 20 10 EECDHN CCN(Cc1cc(OC)c(Br)cc1O)C1CN(C)C1 ZINC001236752505 1305658130 /nfs/dbraw/zinc/65/81/30/1305658130.db2.gz YISWWZVRMAJYBE-UHFFFAOYSA-N 0 3 329.238 2.299 20 10 EECDHN CCOc1ccc(C[N@@H+]2CCc3ncnc(OC)c3CC2)c([O-])c1 ZINC001237040662 1305775757 /nfs/dbraw/zinc/77/57/57/1305775757.db2.gz KVXYMIDVQWVSKB-UHFFFAOYSA-N 0 3 329.400 2.190 20 10 EECDHN CCOc1ccc(C[N@H+]2CCc3ncnc(OC)c3CC2)c([O-])c1 ZINC001237040662 1305775764 /nfs/dbraw/zinc/77/57/64/1305775764.db2.gz KVXYMIDVQWVSKB-UHFFFAOYSA-N 0 3 329.400 2.190 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001237485655 1305955087 /nfs/dbraw/zinc/95/50/87/1305955087.db2.gz JJDBKEQRXQBXJC-VPWXQRGCSA-N 0 3 344.455 2.302 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001237485655 1305955090 /nfs/dbraw/zinc/95/50/90/1305955090.db2.gz JJDBKEQRXQBXJC-VPWXQRGCSA-N 0 3 344.455 2.302 20 10 EECDHN CN(Cc1cccc(I)c1[O-])[C@H]1CC[N@H+](C)C1 ZINC001237781212 1306086675 /nfs/dbraw/zinc/08/66/75/1306086675.db2.gz UKZODHCCUIDVPY-NSHDSACASA-N 0 3 346.212 2.133 20 10 EECDHN CN(Cc1cccc(I)c1[O-])[C@H]1CC[N@@H+](C)C1 ZINC001237781212 1306086682 /nfs/dbraw/zinc/08/66/82/1306086682.db2.gz UKZODHCCUIDVPY-NSHDSACASA-N 0 3 346.212 2.133 20 10 EECDHN CC(=O)N1CCO[C@@H]2CN(Cc3ccc(N(C)C)c(C)c3)CC[C@@H]2C1 ZINC001139670687 1314757020 /nfs/dbraw/zinc/75/70/20/1314757020.db2.gz PQOJKEQZTXUQBM-UYAOXDASSA-N 0 3 345.487 2.130 20 10 EECDHN Cc1ccc(O)c(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)c1 ZINC001140623945 1314916513 /nfs/dbraw/zinc/91/65/13/1314916513.db2.gz YEQJXIYTRWGRDO-LSDHHAIUSA-N 0 3 336.432 2.161 20 10 EECDHN COCCNC(=O)C1(N[C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000840824793 1315417729 /nfs/dbraw/zinc/41/77/29/1315417729.db2.gz OPGBMIMNSHYPPL-NSHDSACASA-N 0 3 326.824 2.300 20 10 EECDHN COCCNC(=O)C1([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000840824793 1315417735 /nfs/dbraw/zinc/41/77/35/1315417735.db2.gz OPGBMIMNSHYPPL-NSHDSACASA-N 0 3 326.824 2.300 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c([O-])c1 ZINC001249192625 1317021211 /nfs/dbraw/zinc/02/12/11/1317021211.db2.gz AUGZQRUDZJMKMV-UWWQBHOKSA-N 0 3 333.428 2.355 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c([O-])c1 ZINC001249192625 1317021221 /nfs/dbraw/zinc/02/12/21/1317021221.db2.gz AUGZQRUDZJMKMV-UWWQBHOKSA-N 0 3 333.428 2.355 20 10 EECDHN CC(C)Oc1ccccc1OC[C@H](O)CNCc1ccc(O)c(O)c1 ZINC001254027802 1317986050 /nfs/dbraw/zinc/98/60/50/1317986050.db2.gz OFXXJWOPJRQJJW-OAHLLOKOSA-N 0 3 347.411 2.415 20 10 EECDHN O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203555902 1321911537 /nfs/dbraw/zinc/91/15/37/1321911537.db2.gz JVIRFCAQMPSKIT-IBGZPJMESA-N 0 3 338.411 2.201 20 10 EECDHN O=C1N(c2cncnc2)CC[C@]12CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203555902 1321911542 /nfs/dbraw/zinc/91/15/42/1321911542.db2.gz JVIRFCAQMPSKIT-IBGZPJMESA-N 0 3 338.411 2.201 20 10 EECDHN Oc1ccccc1CN1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001203558629 1321912211 /nfs/dbraw/zinc/91/22/11/1321912211.db2.gz QVCRFPSQUQCMHR-UHFFFAOYSA-N 0 3 339.443 2.105 20 10 EECDHN COc1ccc(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c([O-])c1 ZINC001203622927 1321925295 /nfs/dbraw/zinc/92/52/95/1321925295.db2.gz FSYZVHPPQXTXMY-HUUCEWRRSA-N 0 3 345.468 2.421 20 10 EECDHN COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203635437 1321929243 /nfs/dbraw/zinc/92/92/43/1321929243.db2.gz UZTMAEDZFFOXHP-MRXNPFEDSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203635437 1321929244 /nfs/dbraw/zinc/92/92/44/1321929244.db2.gz UZTMAEDZFFOXHP-MRXNPFEDSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)c(O)c1 ZINC001203635517 1321929427 /nfs/dbraw/zinc/92/94/27/1321929427.db2.gz ZZIRFINZGXCDPE-OAHLLOKOSA-N 0 3 333.432 2.171 20 10 EECDHN C[C@@H]1C[NH2+]CCN(Cc2ccc(I)cc2[O-])C1 ZINC001206276584 1323444991 /nfs/dbraw/zinc/44/49/91/1323444991.db2.gz GXMJAMJZNCOMNL-SNVBAGLBSA-N 0 3 346.212 2.038 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC(CCCO)CC2)cc1 ZINC000782536974 1371311053 /nfs/dbraw/zinc/31/10/53/1371311053.db2.gz MFBFIHOMLNUQRH-UHFFFAOYSA-N 0 3 347.503 2.196 20 10 EECDHN CCNC(=O)C(C)(C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000835076316 1372588220 /nfs/dbraw/zinc/58/82/20/1372588220.db2.gz NWYLTSBXVBMHKV-UHFFFAOYSA-N 0 3 329.238 2.467 20 10 EECDHN COCCN1CC[C@@]2(CCC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001140952185 1372725611 /nfs/dbraw/zinc/72/56/11/1372725611.db2.gz HPHQPBAYDGZRLY-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN COCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001140952185 1372725616 /nfs/dbraw/zinc/72/56/16/1372725616.db2.gz HPHQPBAYDGZRLY-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(I)cc1[O-] ZINC001209874287 757513124 /nfs/dbraw/zinc/51/31/24/757513124.db2.gz MBWIZYZRNNRRTF-AOOOYVTPSA-N 0 3 346.212 2.179 20 10 EECDHN CCN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920868892 770890931 /nfs/dbraw/zinc/89/09/31/770890931.db2.gz DWQZFWJKVYGRCG-HZPDHXFCSA-N 0 3 333.476 2.431 20 10 EECDHN CCOC[C@@H]1CN(Cc2c(O)cc(O)cc2O)Cc2cnn(CC)c21 ZINC001144510009 789910291 /nfs/dbraw/zinc/91/02/91/789910291.db2.gz POKBKUHAXDVAHY-ZDUSSCGKSA-N 0 3 347.415 2.156 20 10 EECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000174066319 791947439 /nfs/dbraw/zinc/94/74/39/791947439.db2.gz PPEOHZMPLHNSGD-HUUCEWRRSA-N 0 3 349.450 2.151 20 10 EECDHN COCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)C ZINC000061190605 462578447 /nfs/dbraw/zinc/57/84/47/462578447.db2.gz PVCRQFDEQALGRF-UHFFFAOYSA-N 0 3 335.492 2.315 20 10 EECDHN CC[C@@H](N[C@@H](C)c1ccc(N(C)CC)cc1)C(=O)N1CCOCC1 ZINC000165055729 463639208 /nfs/dbraw/zinc/63/92/08/463639208.db2.gz FPGFCUSYEHYNMM-MAUKXSAKSA-N 0 3 333.476 2.431 20 10 EECDHN CCN(CCNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000126723936 463659816 /nfs/dbraw/zinc/65/98/16/463659816.db2.gz BRYXBFWGMYLKNT-UHFFFAOYSA-N 0 3 328.460 2.346 20 10 EECDHN Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2=O)n(C)n1 ZINC000186083426 463934189 /nfs/dbraw/zinc/93/41/89/463934189.db2.gz GPNFLWNZKMQRAB-UKRRQHHQSA-N 0 3 328.416 2.199 20 10 EECDHN CCC[C@]1(CO)CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000277891211 463935232 /nfs/dbraw/zinc/93/52/32/463935232.db2.gz VZXNXZGPACFDCV-HXUWFJFHSA-N 0 3 347.503 2.338 20 10 EECDHN COc1cccc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)c1O ZINC000293720726 464419107 /nfs/dbraw/zinc/41/91/07/464419107.db2.gz TXUQKPJSJWZZTO-KRWDZBQOSA-N 0 3 340.423 2.334 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccccc1[O-] ZINC000285728807 464674182 /nfs/dbraw/zinc/67/41/82/464674182.db2.gz QPYYCDPGQMXROP-CJNGLKHVSA-N 0 3 338.473 2.390 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000273561310 464720239 /nfs/dbraw/zinc/72/02/39/464720239.db2.gz ICJMJSABPRZCFT-CZUORRHYSA-N 0 3 337.439 2.125 20 10 EECDHN CNC(=O)[C@H]1CCCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295408292 464819434 /nfs/dbraw/zinc/81/94/34/464819434.db2.gz CYZREDPUYAKDIL-GOSISDBHSA-N 0 3 331.460 2.012 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1[O-] ZINC000184709507 465021167 /nfs/dbraw/zinc/02/11/67/465021167.db2.gz UBBIYCZVDCFINX-UHFFFAOYSA-N 0 3 335.853 2.357 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@H](c3noc(C)n3)C2)cc1OC ZINC000371360525 465741626 /nfs/dbraw/zinc/74/16/26/465741626.db2.gz HJSBARJPQQMVLA-GFCCVEGCSA-N 0 3 333.388 2.480 20 10 EECDHN COc1c([O-])c(C[N@@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000377696810 467118836 /nfs/dbraw/zinc/11/88/36/467118836.db2.gz NOQLQFRHVRNMBK-JSGCOSHPSA-N 0 3 335.404 2.368 20 10 EECDHN COc1c([O-])c(C[N@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000377696810 467118839 /nfs/dbraw/zinc/11/88/39/467118839.db2.gz NOQLQFRHVRNMBK-JSGCOSHPSA-N 0 3 335.404 2.368 20 10 EECDHN [O-]c1ccccc1C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000377786411 467140357 /nfs/dbraw/zinc/14/03/57/467140357.db2.gz UVZPCWWLHYZTJD-RBUKOAKNSA-N 0 3 326.440 2.365 20 10 EECDHN CCC(CC)(CC(=O)OC)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000298786453 521389188 /nfs/dbraw/zinc/38/91/88/521389188.db2.gz YCZJRGRURWOOPQ-UHFFFAOYSA-N 0 3 349.475 2.080 20 10 EECDHN CN(Cc1ccccc1O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734279630 577286792 /nfs/dbraw/zinc/28/67/92/577286792.db2.gz ARBPZECOHVGFGP-QGZVFWFLSA-N 0 3 347.459 2.177 20 10 EECDHN COCCOC[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773022017 577310956 /nfs/dbraw/zinc/31/09/56/577310956.db2.gz AJUSRPZFUODIGV-HUUCEWRRSA-N 0 3 340.439 2.364 20 10 EECDHN CCN(C)c1ccc(CN2CCN(CCC(=O)OC)C[C@@H]2C)cc1 ZINC000773831960 577366808 /nfs/dbraw/zinc/36/68/08/577366808.db2.gz LVJQWJAMESLSTN-INIZCTEOSA-N 0 3 333.476 2.212 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C)[C@H](C)C3)CC2)cc1 ZINC000766987482 577528550 /nfs/dbraw/zinc/52/85/50/577528550.db2.gz ANUPPUKQORLQGD-IAGOWNOFSA-N 0 3 345.487 2.322 20 10 EECDHN C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(F)ccc1[O-] ZINC000756565316 577846961 /nfs/dbraw/zinc/84/69/61/577846961.db2.gz ZARLAECPIOLKMC-CYBMUJFWSA-N 0 3 337.439 2.125 20 10 EECDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(F)ccc1[O-] ZINC000756836519 577850898 /nfs/dbraw/zinc/85/08/98/577850898.db2.gz BGAIZFXTMIYRAZ-JRPNMDOOSA-N 0 3 332.379 2.109 20 10 EECDHN Cc1cnn(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891252054 676246799 /nfs/dbraw/zinc/24/67/99/676246799.db2.gz FIFNUKNDZCRLDC-SFHVURJKSA-N 0 3 343.475 2.067 20 10 EECDHN COCCN1CCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024819162 681466881 /nfs/dbraw/zinc/46/68/81/681466881.db2.gz LYZGHUJCHSXXFN-HNNXBMFYSA-N 0 3 347.419 2.080 20 10 EECDHN Cc1cc(C(=O)NCCN(C)CCO)c(C)n1-c1cccc(C)c1 ZINC000899730402 693848455 /nfs/dbraw/zinc/84/84/55/693848455.db2.gz XSJNBZUEMPZJMU-UHFFFAOYSA-N 0 3 329.444 2.056 20 10 EECDHN O=C(c1ccc(O)c(O)c1[O-])N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001270067150 1184823417 /nfs/dbraw/zinc/82/34/17/1184823417.db2.gz DXQZZUUNEKGNSP-KBPBESRZSA-N 0 3 332.400 2.035 20 10 EECDHN O=C(c1ccc(O)c(O)c1[O-])N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001270067150 1184823421 /nfs/dbraw/zinc/82/34/21/1184823421.db2.gz DXQZZUUNEKGNSP-KBPBESRZSA-N 0 3 332.400 2.035 20 10 EECDHN CCOCCN1CC[C@@]2(CCCN2Cc2ccc(O)c(C)c2O)C1=O ZINC001272657566 1190971168 /nfs/dbraw/zinc/97/11/68/1190971168.db2.gz HPKUABOGAGNLFW-IBGZPJMESA-N 0 3 348.443 2.010 20 10 EECDHN C[C@@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1O ZINC000868783477 1201878520 /nfs/dbraw/zinc/87/85/20/1201878520.db2.gz MOICTWIFSPRZFQ-HIFRSBDPSA-N 0 3 333.432 2.006 20 10 EECDHN Cn1cccc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325991 1202493022 /nfs/dbraw/zinc/49/30/22/1202493022.db2.gz YQENCUIBNMSQBW-UHFFFAOYSA-N 0 3 326.444 2.017 20 10 EECDHN O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1[O-])C2 ZINC001275265235 1205293655 /nfs/dbraw/zinc/29/36/55/1205293655.db2.gz KNDGYQLZOJMPJL-YJBOKZPZSA-N 0 3 339.439 2.386 20 10 EECDHN O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1[O-])C2 ZINC001275265235 1205293656 /nfs/dbraw/zinc/29/36/56/1205293656.db2.gz KNDGYQLZOJMPJL-YJBOKZPZSA-N 0 3 339.439 2.386 20 10 EECDHN COc1cccc(CN2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1O ZINC001275273625 1205296354 /nfs/dbraw/zinc/29/63/54/1205296354.db2.gz TYRLHHJLDHHEMQ-AEFFLSMTSA-N 0 3 332.444 2.228 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275952767 1205600400 /nfs/dbraw/zinc/60/04/00/1205600400.db2.gz MRMHBUIXSXBFJT-LJQANCHMSA-N 0 3 342.443 2.309 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275952767 1205600401 /nfs/dbraw/zinc/60/04/01/1205600401.db2.gz MRMHBUIXSXBFJT-LJQANCHMSA-N 0 3 342.443 2.309 20 10 EECDHN CCCC[N@H+](CCN1CCCS1(=O)=O)Cc1ccccc1[O-] ZINC000801595789 1235885166 /nfs/dbraw/zinc/88/51/66/1235885166.db2.gz UDGZMHLDPIVZMM-UHFFFAOYSA-N 0 3 326.462 2.030 20 10 EECDHN CCCC[N@@H+](CCN1CCCS1(=O)=O)Cc1ccccc1[O-] ZINC000801595789 1235885174 /nfs/dbraw/zinc/88/51/74/1235885174.db2.gz UDGZMHLDPIVZMM-UHFFFAOYSA-N 0 3 326.462 2.030 20 10 EECDHN Oc1c(O)c(O)c(OC2CCN(Cc3ccccc3)CC2)c(O)c1O ZINC001226464265 1301426227 /nfs/dbraw/zinc/42/62/27/1301426227.db2.gz GJXASIXONKAPOA-UHFFFAOYSA-N 0 3 347.367 2.258 20 10 EECDHN COc1cc(CN(C)CCNC(=O)OC(C)(C)C)c(O)cc1O ZINC001231635450 1303873786 /nfs/dbraw/zinc/87/37/86/1303873786.db2.gz ZKSZCGONLPVGBA-UHFFFAOYSA-N 0 3 326.393 2.063 20 10 EECDHN CCN1CCN(c2ccc(OC3CN(C(=O)C(C)C)C3)cc2)CC1 ZINC001234661023 1305003767 /nfs/dbraw/zinc/00/37/67/1305003767.db2.gz OOSUIZBZRUQMEL-UHFFFAOYSA-N 0 3 331.460 2.074 20 10 EECDHN CC[C@H]1C[NH2+]CCN1Cc1ccc(I)cc1[O-] ZINC001235771593 1305376762 /nfs/dbraw/zinc/37/67/62/1305376762.db2.gz HCXYGCRZUGLYKN-LBPRGKRZSA-N 0 3 346.212 2.181 20 10 EECDHN CCNC(=O)CO[C@@H]1CCCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC001237686033 1306047058 /nfs/dbraw/zinc/04/70/58/1306047058.db2.gz FUOBECHXGGUEDB-OAHLLOKOSA-N 0 3 340.851 2.471 20 10 EECDHN O[C@]1(CF)CCCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140659959 1314923371 /nfs/dbraw/zinc/92/33/71/1314923371.db2.gz AODJBLYXYLHDCR-SFHVURJKSA-N 0 3 340.414 2.349 20 10 EECDHN Cc1c(O)ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001140750074 1314955659 /nfs/dbraw/zinc/95/56/59/1314955659.db2.gz UVYBOHRCMOWXQH-KGLIPLIRSA-N 0 3 334.416 2.457 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c(OC)c1 ZINC001141027181 1315019738 /nfs/dbraw/zinc/01/97/38/1315019738.db2.gz PWOXQPZAHMNQKP-OAHLLOKOSA-N 0 3 348.443 2.100 20 10 EECDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])cc(OC)cc1OC)C2 ZINC001141028838 1315020048 /nfs/dbraw/zinc/02/00/48/1315020048.db2.gz BPGLNMRUZVGQLM-AVGNSLFASA-N 0 3 335.400 2.183 20 10 EECDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c([O-])cc(OC)cc1OC)C2 ZINC001141028838 1315020051 /nfs/dbraw/zinc/02/00/51/1315020051.db2.gz BPGLNMRUZVGQLM-AVGNSLFASA-N 0 3 335.400 2.183 20 10 EECDHN CC[C@H]1[N@H+](Cc2c([O-])cc(OC)cc2OC)CCC[C@]12CCC(=O)N2 ZINC001141035001 1315022543 /nfs/dbraw/zinc/02/25/43/1315022543.db2.gz YJDPZZOQJBGBLQ-MJGOQNOKSA-N 0 3 348.443 2.433 20 10 EECDHN CC[C@H]1[N@@H+](Cc2c([O-])cc(OC)cc2OC)CCC[C@]12CCC(=O)N2 ZINC001141035001 1315022546 /nfs/dbraw/zinc/02/25/46/1315022546.db2.gz YJDPZZOQJBGBLQ-MJGOQNOKSA-N 0 3 348.443 2.433 20 10 EECDHN CON(C)C(=O)[C@H](CCSC)NCc1ccc(N(C)C)cc1C ZINC000840936101 1315440436 /nfs/dbraw/zinc/44/04/36/1315440436.db2.gz GXKSLUJANKNPJA-INIZCTEOSA-N 0 3 339.505 2.292 20 10 EECDHN C[C@](O)(CNCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F ZINC000843065302 1315833528 /nfs/dbraw/zinc/83/35/28/1315833528.db2.gz KNFGCHDSZRYKLN-INIZCTEOSA-N 0 3 346.393 2.298 20 10 EECDHN CC(C)(C)OC(=O)[C@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC001253698142 1317917122 /nfs/dbraw/zinc/91/71/22/1317917122.db2.gz FOJBGPXUSYMLAZ-QGZVFWFLSA-N 0 3 334.460 2.469 20 10 EECDHN CCN1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)C1 ZINC001323999246 1333585651 /nfs/dbraw/zinc/58/56/51/1333585651.db2.gz GFTISDSFXSTDQE-INIZCTEOSA-N 0 3 334.483 2.104 20 10 EECDHN CO[C@H](C)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001355311631 1338705328 /nfs/dbraw/zinc/70/53/28/1338705328.db2.gz GKVRRMKIEFCTNR-RHSMWYFYSA-N 0 3 336.480 2.080 20 10 EECDHN CCc1cccc(CNCC(=O)NCCc2ccccc2OC)c1O ZINC000848907220 1338803693 /nfs/dbraw/zinc/80/36/93/1338803693.db2.gz BJGGHSMHYHJOOE-UHFFFAOYSA-N 0 3 342.439 2.412 20 10 EECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001605482501 1351168722 /nfs/dbraw/zinc/16/87/22/1351168722.db2.gz TVUUIMJCPCPBMI-LSDHHAIUSA-N 0 3 349.475 2.015 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3cccnc3)C2)c(OC)c1 ZINC001141028287 1372743188 /nfs/dbraw/zinc/74/31/88/1372743188.db2.gz JNOKPLSGRCFYHL-CQSZACIVSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(OC)c1 ZINC001141028287 1372743194 /nfs/dbraw/zinc/74/31/94/1372743194.db2.gz JNOKPLSGRCFYHL-CQSZACIVSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c(OC)c1 ZINC001141028287 1372743196 /nfs/dbraw/zinc/74/31/96/1372743196.db2.gz JNOKPLSGRCFYHL-CQSZACIVSA-N 0 3 330.384 2.458 20 10 EECDHN CN1CCN(c2ccc(CN3CC[S@](=O)C(C)(C)CC3)cc2)CC1 ZINC000825025082 788402111 /nfs/dbraw/zinc/40/21/11/788402111.db2.gz YEAHAXKONVSDAY-DEOSSOPVSA-N 0 3 349.544 2.171 20 10 EECDHN CCn1cc(CN(Cc2cc3c(cc2O)OC[C@@H]3O)C(C)C)cn1 ZINC000844738592 789364733 /nfs/dbraw/zinc/36/47/33/789364733.db2.gz ZLOHXDBNUPXWPZ-KRWDZBQOSA-N 0 3 331.416 2.445 20 10 EECDHN CCn1cc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C(C)C)cn1 ZINC000844738592 789364742 /nfs/dbraw/zinc/36/47/42/789364742.db2.gz ZLOHXDBNUPXWPZ-KRWDZBQOSA-N 0 3 331.416 2.445 20 10 EECDHN CCn1cc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C(C)C)cn1 ZINC000844738592 789364747 /nfs/dbraw/zinc/36/47/47/789364747.db2.gz ZLOHXDBNUPXWPZ-KRWDZBQOSA-N 0 3 331.416 2.445 20 10 EECDHN CCOc1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c([O-])c1 ZINC000793181482 810177350 /nfs/dbraw/zinc/17/73/50/810177350.db2.gz FDUDNZQZBKZJBQ-QGZVFWFLSA-N 0 3 331.416 2.460 20 10 EECDHN C[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)N(C)C1CC1 ZINC000105206802 237091982 /nfs/dbraw/zinc/09/19/82/237091982.db2.gz AFOMDNBHUZIODJ-CQSZACIVSA-N 0 3 330.476 2.351 20 10 EECDHN COc1cc(O)c(CN2CCC(c3noc(C)n3)CC2)cc1OC ZINC000160070123 237230399 /nfs/dbraw/zinc/23/03/99/237230399.db2.gz LSCKCWOYIBCYDN-UHFFFAOYSA-N 0 3 333.388 2.480 20 10 EECDHN CC(=O)c1cccc(OC[C@H](O)CN(C)Cc2ccccc2O)c1 ZINC000121137667 463085247 /nfs/dbraw/zinc/08/52/47/463085247.db2.gz UMVYREWDOGPWPO-QGZVFWFLSA-N 0 3 329.396 2.467 20 10 EECDHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)NCc2ccccc2)c1 ZINC000185161214 463765947 /nfs/dbraw/zinc/76/59/47/463765947.db2.gz HLRGZMSCAGKGNN-OAHLLOKOSA-N 0 3 348.468 2.471 20 10 EECDHN Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2=O)n(C)n1 ZINC000186083787 463933185 /nfs/dbraw/zinc/93/31/85/463933185.db2.gz IFHYDWDCZFXRKK-RISCZKNCSA-N 0 3 332.379 2.029 20 10 EECDHN CCC[C@@]1(CO)CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000277891210 463935362 /nfs/dbraw/zinc/93/53/62/463935362.db2.gz VZXNXZGPACFDCV-FQEVSTJZSA-N 0 3 347.503 2.338 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CCC[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000278236157 463959885 /nfs/dbraw/zinc/95/98/85/463959885.db2.gz NFUTWAUUZUGXQU-AWEZNQCLSA-N 0 3 335.404 2.369 20 10 EECDHN COc1c([O-])c(C[N@H+]2CCC[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000278236157 463959891 /nfs/dbraw/zinc/95/98/91/463959891.db2.gz NFUTWAUUZUGXQU-AWEZNQCLSA-N 0 3 335.404 2.369 20 10 EECDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1 ZINC000279865221 464159149 /nfs/dbraw/zinc/15/91/49/464159149.db2.gz JEQMSTKDOZDOTO-WMZOPIPTSA-N 0 3 346.450 2.479 20 10 EECDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1 ZINC000279865221 464159150 /nfs/dbraw/zinc/15/91/50/464159150.db2.gz JEQMSTKDOZDOTO-WMZOPIPTSA-N 0 3 346.450 2.479 20 10 EECDHN O=C1[C@H](NCc2cc3c(cc2O)OCO3)CCN1Cc1ccccc1 ZINC000263729161 464169217 /nfs/dbraw/zinc/16/92/17/464169217.db2.gz XNNZLCRMBDWXDY-OAHLLOKOSA-N 0 3 340.379 2.012 20 10 EECDHN CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000271391012 464298339 /nfs/dbraw/zinc/29/83/39/464298339.db2.gz TZTYVSKHVWEOSY-MAUKXSAKSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000271391012 464298345 /nfs/dbraw/zinc/29/83/45/464298345.db2.gz TZTYVSKHVWEOSY-MAUKXSAKSA-N 0 3 345.443 2.470 20 10 EECDHN CCN1CCN([C@@H]2CCN(Cc3ccc(N(C)C)c(C)c3)C2)CC1 ZINC000293093250 464386400 /nfs/dbraw/zinc/38/64/00/464386400.db2.gz NIQIFTNABJNFCY-LJQANCHMSA-N 0 3 330.520 2.273 20 10 EECDHN O=C1COc2ccccc2N1CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000180820957 464402313 /nfs/dbraw/zinc/40/23/13/464402313.db2.gz ZSJQVCSJUBSDLO-UHFFFAOYSA-N 0 3 330.359 2.437 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1[O-] ZINC000293972373 464428372 /nfs/dbraw/zinc/42/83/72/464428372.db2.gz QRTIUMHJFKCFJP-OLZOCXBDSA-N 0 3 330.222 2.093 20 10 EECDHN CN1CC=C(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000272091048 464475146 /nfs/dbraw/zinc/47/51/46/464475146.db2.gz NFLCWXKXKUTYNB-UHFFFAOYSA-N 0 3 328.460 2.348 20 10 EECDHN COC(=O)CC1(CN(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000281557996 464502449 /nfs/dbraw/zinc/50/24/49/464502449.db2.gz ZYZRXDLLCBBOKS-UHFFFAOYSA-N 0 3 332.444 2.298 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1OC ZINC000361993336 466466299 /nfs/dbraw/zinc/46/62/99/466466299.db2.gz XBTDTQDMFANULB-CQSZACIVSA-N 0 3 329.400 2.155 20 10 EECDHN COc1ccc2c(c1)c1c(n2CC(=O)NCCN(C)C)CCCC1 ZINC000650988957 471019099 /nfs/dbraw/zinc/01/90/99/471019099.db2.gz UKQCTCVWGCGWAO-UHFFFAOYSA-N 0 3 329.444 2.207 20 10 EECDHN CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000734557781 577307414 /nfs/dbraw/zinc/30/74/14/577307414.db2.gz JFWWOHYXDUAZKS-GXTWGEPZSA-N 0 3 326.462 2.321 20 10 EECDHN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000734557781 577307415 /nfs/dbraw/zinc/30/74/15/577307415.db2.gz JFWWOHYXDUAZKS-GXTWGEPZSA-N 0 3 326.462 2.321 20 10 EECDHN CCNS(=O)(=O)CCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000772979246 577308568 /nfs/dbraw/zinc/30/85/68/577308568.db2.gz PRFVFUYPNPUHJV-OAHLLOKOSA-N 0 3 339.505 2.267 20 10 EECDHN COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000775136661 577430904 /nfs/dbraw/zinc/43/09/04/577430904.db2.gz ODPZXBFTNHFLMX-AWEZNQCLSA-N 0 3 328.412 2.410 20 10 EECDHN C[C@H](N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000777113699 577473441 /nfs/dbraw/zinc/47/34/41/577473441.db2.gz HWPYYIPDZNYPMD-QWQRMKEZSA-N 0 3 341.459 2.331 20 10 EECDHN COc1ccc(O)c(CNC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000765502336 577502062 /nfs/dbraw/zinc/50/20/62/577502062.db2.gz XAHTXVXJHJJKMN-OAHLLOKOSA-N 0 3 333.432 2.217 20 10 EECDHN CN(C)c1ccc(CN(CCO)CCNC(=O)OC(C)(C)C)cc1 ZINC000768533533 577558008 /nfs/dbraw/zinc/55/80/08/577558008.db2.gz TYMSLWPYEISUDU-UHFFFAOYSA-N 0 3 337.464 2.072 20 10 EECDHN CCOc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([O-])c1 ZINC000770353270 577594385 /nfs/dbraw/zinc/59/43/85/577594385.db2.gz ZDEJSIPKJCYZDC-HHXXYDBFSA-N 0 3 334.460 2.474 20 10 EECDHN CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756413166 577843677 /nfs/dbraw/zinc/84/36/77/577843677.db2.gz YAWOGTXNVBVFFZ-OLZOCXBDSA-N 0 3 327.419 2.347 20 10 EECDHN COc1ccc(O)c([C@H](C)NCc2ccc(-n3cncn3)nc2)c1 ZINC000756432940 577844063 /nfs/dbraw/zinc/84/40/63/577844063.db2.gz WPFSDJKSZBSFFY-LBPRGKRZSA-N 0 3 325.372 2.227 20 10 EECDHN CCN(CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)S(C)(=O)=O ZINC000756441103 577844322 /nfs/dbraw/zinc/84/43/22/577844322.db2.gz HYUNEBIYNPEMKW-DGCLKSJQSA-N 0 3 344.452 2.341 20 10 EECDHN COc1cc(C[C@@H](CO)C[NH2+]Cc2ccccc2[O-])cc(OC)c1 ZINC000747621867 577947053 /nfs/dbraw/zinc/94/70/53/577947053.db2.gz CTIMMPAKUHCHHC-OAHLLOKOSA-N 0 3 331.412 2.350 20 10 EECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000741140407 578113277 /nfs/dbraw/zinc/11/32/77/578113277.db2.gz RDXXJJLWOFBYMX-HZPDHXFCSA-N 0 3 331.460 2.012 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@H]2O)N(C)C)cc1 ZINC000891247888 676241413 /nfs/dbraw/zinc/24/14/13/676241413.db2.gz IOQLEPIIBJVJAD-YTQUADARSA-N 0 3 347.503 2.413 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C2(C)CCOCC2)N(C)C)cc1 ZINC000891250492 676245484 /nfs/dbraw/zinc/24/54/84/676245484.db2.gz AIIAOBBILFDLFY-KRWDZBQOSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)nc2)N(C)C)cc1 ZINC000891252442 676248495 /nfs/dbraw/zinc/24/84/95/676248495.db2.gz LRCFRMZIBXXYIX-INIZCTEOSA-N 0 3 330.407 2.319 20 10 EECDHN Cc1[nH]c(=O)ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253023 676249025 /nfs/dbraw/zinc/24/90/25/676249025.db2.gz PCMNAUDGEPOTOK-QGZVFWFLSA-N 0 3 342.443 2.194 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCc2ccco2)N(C)C)cc1 ZINC000891561190 676699317 /nfs/dbraw/zinc/69/93/17/676699317.db2.gz JXYPFHTXCMPKEP-GOSISDBHSA-N 0 3 344.459 2.490 20 10 EECDHN COc1ccc(CN[C@H](C)C(=O)NCc2ccccc2)c(O)c1OC ZINC000892669786 682212676 /nfs/dbraw/zinc/21/26/76/682212676.db2.gz XEBGIXTXOBWFIK-CYBMUJFWSA-N 0 3 344.411 2.204 20 10 EECDHN Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C2COC2)C3)c([O-])c1 ZINC001272766951 1193488810 /nfs/dbraw/zinc/48/88/10/1193488810.db2.gz VOJYLNAELYWCDJ-IBGZPJMESA-N 0 3 330.428 2.056 20 10 EECDHN Cc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(C2COC2)C3)c([O-])c1 ZINC001272766951 1193488813 /nfs/dbraw/zinc/48/88/13/1193488813.db2.gz VOJYLNAELYWCDJ-IBGZPJMESA-N 0 3 330.428 2.056 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c(OC)c1 ZINC001272815793 1193557644 /nfs/dbraw/zinc/55/76/44/1193557644.db2.gz RRPWBSSCVTVPIP-IBGZPJMESA-N 0 3 348.443 2.244 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c(OC)c1 ZINC001272815793 1193557645 /nfs/dbraw/zinc/55/76/45/1193557645.db2.gz RRPWBSSCVTVPIP-IBGZPJMESA-N 0 3 348.443 2.244 20 10 EECDHN Cc1ccc(O)c(CN2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c1 ZINC001272622242 1190935527 /nfs/dbraw/zinc/93/55/27/1190935527.db2.gz AHDQNMGROJLKTP-IBGZPJMESA-N 0 3 341.411 2.456 20 10 EECDHN CCCCN1C[C@]2(CCN(Cc3cccc(OC)c3O)C2)OCC1=O ZINC001272626451 1190938332 /nfs/dbraw/zinc/93/83/32/1190938332.db2.gz XMIKZYOWTLYOTF-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(S(N)(=O)=O)cc1 ZINC000876522559 1199656498 /nfs/dbraw/zinc/65/64/98/1199656498.db2.gz VGLQKKAFQOLLHT-UHFFFAOYSA-N 0 3 347.484 2.422 20 10 EECDHN OC1CCN(c2ccc(CN3CCCC[C@@H]3C3OCCO3)cc2)CC1 ZINC000876680324 1199718895 /nfs/dbraw/zinc/71/88/95/1199718895.db2.gz ZUPXRFCBFFSCJP-LJQANCHMSA-N 0 3 346.471 2.375 20 10 EECDHN COc1ccc(O)c([C@H](C)NC[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000866435935 1201516962 /nfs/dbraw/zinc/51/69/62/1201516962.db2.gz HLAIYYABIUPXNN-TVQRCGJNSA-N 0 3 330.310 2.447 20 10 EECDHN CC[C@@H](N)c1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881379880 1201689319 /nfs/dbraw/zinc/68/93/19/1201689319.db2.gz BQIUYQQYADOWJV-QGZVFWFLSA-N 0 3 329.448 2.351 20 10 EECDHN CC(C)(O)CN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000129941045 1201928714 /nfs/dbraw/zinc/92/87/14/1201928714.db2.gz NZWWFUHAVNXGBX-UHFFFAOYSA-N 0 3 343.265 2.043 20 10 EECDHN NC(=O)C1CCN(c2ccc(CNCc3cccc(O)c3)cc2)CC1 ZINC000886325791 1202492659 /nfs/dbraw/zinc/49/26/59/1202492659.db2.gz QUWSZNXWZSPDJA-UHFFFAOYSA-N 0 3 339.439 2.384 20 10 EECDHN O=C(CCc1ccc[nH]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275265547 1205293688 /nfs/dbraw/zinc/29/36/88/1205293688.db2.gz NHQZUTIOBZPUCM-MAUKXSAKSA-N 0 3 339.439 2.386 20 10 EECDHN O=C(CCc1ccc[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275265547 1205293689 /nfs/dbraw/zinc/29/36/89/1205293689.db2.gz NHQZUTIOBZPUCM-MAUKXSAKSA-N 0 3 339.439 2.386 20 10 EECDHN COc1ccc(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001275275287 1205295519 /nfs/dbraw/zinc/29/55/19/1205295519.db2.gz DXCWYQYYXPYALO-CALCHBBNSA-N 0 3 332.444 2.228 20 10 EECDHN CCN1CCC[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000903391862 1240376825 /nfs/dbraw/zinc/37/68/25/1240376825.db2.gz IPYFUZKUFOJEQR-PBHICJAKSA-N 0 3 349.450 2.324 20 10 EECDHN CN1CC[C@@]2(CCCN2Cc2cccc(OC(F)(F)F)c2O)C1=O ZINC001273855965 1286929361 /nfs/dbraw/zinc/92/93/61/1286929361.db2.gz NSNACXCPVHNDIA-HNNXBMFYSA-N 0 3 344.333 2.488 20 10 EECDHN [O-]c1cc(Cl)c(Cl)cc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222511149 1299646017 /nfs/dbraw/zinc/64/60/17/1299646017.db2.gz QILDJRMSJFLTOO-KBPBESRZSA-N 0 3 330.259 2.225 20 10 EECDHN COc1ccc(N2CC[C@H]3CN(Cc4cc(C)nn4C)C[C@H]32)cc1 ZINC001276926954 1300300062 /nfs/dbraw/zinc/30/00/62/1300300062.db2.gz JGUDWIZDMNWSML-HNAYVOBHSA-N 0 3 326.444 2.448 20 10 EECDHN COc1cc(CN2CCC(Oc3ncc(F)cn3)CC2)c(O)cc1O ZINC001231639724 1303876415 /nfs/dbraw/zinc/87/64/15/1303876415.db2.gz IFWJOMGOAVNHIA-UHFFFAOYSA-N 0 3 349.362 2.079 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N(C)C)c(OC)c1 ZINC001277589116 1303951492 /nfs/dbraw/zinc/95/14/92/1303951492.db2.gz IJRJPHOQBCJULI-ZXYKHMISSA-N 0 3 348.443 2.002 20 10 EECDHN Cc1ccc(N2CCN(Cc3cc4c(cc3O)OC[C@H]4O)CC2)cc1 ZINC000784010977 1304398985 /nfs/dbraw/zinc/39/89/85/1304398985.db2.gz FCYGUVRXVJNTAX-LJQANCHMSA-N 0 3 340.423 2.449 20 10 EECDHN CCN1CCN(c2ccc(O[C@@H]3CCc4nccn4C3)cc2)CC1 ZINC001234661136 1305003226 /nfs/dbraw/zinc/00/32/26/1305003226.db2.gz QAPQPKJKRUXQRY-GOSISDBHSA-N 0 3 326.444 2.419 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001237047555 1305777230 /nfs/dbraw/zinc/77/72/30/1305777230.db2.gz MADPVVWRBAXLOE-HNNXBMFYSA-N 0 3 333.363 2.373 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001237047555 1305777235 /nfs/dbraw/zinc/77/72/35/1305777235.db2.gz MADPVVWRBAXLOE-HNNXBMFYSA-N 0 3 333.363 2.373 20 10 EECDHN COc1cc([O-])c(CN2CC[NH+]3CCC2CC3)c(Br)c1 ZINC001237071852 1305788607 /nfs/dbraw/zinc/78/86/07/1305788607.db2.gz XVPCHLRSUXWKRK-UHFFFAOYSA-N 0 3 341.249 2.443 20 10 EECDHN CO[C@@H]1CN(Cc2c(C)cccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001237496264 1305958991 /nfs/dbraw/zinc/95/89/91/1305958991.db2.gz XMHIUOOTFWFPQR-GOEBONIOSA-N 0 3 336.432 2.425 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001237640936 1306020743 /nfs/dbraw/zinc/02/07/43/1306020743.db2.gz IHTOGMQQINKULK-LPHOPBHVSA-N 0 3 331.387 2.373 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001237640936 1306020753 /nfs/dbraw/zinc/02/07/53/1306020753.db2.gz IHTOGMQQINKULK-LPHOPBHVSA-N 0 3 331.387 2.373 20 10 EECDHN CC(=O)N1CCC2(CC1)CN(Cc1c(C)ccc(C)c1O)CCO2 ZINC001140181345 1314828588 /nfs/dbraw/zinc/82/85/88/1314828588.db2.gz SUENQMMLDOVIHQ-UHFFFAOYSA-N 0 3 332.444 2.222 20 10 EECDHN Cc1ccc(O)c(CN2CCN(CCNC(=O)OC(C)(C)C)CC2)c1 ZINC001140619756 1314915867 /nfs/dbraw/zinc/91/58/67/1314915867.db2.gz NEZJQAUGHCLLAK-UHFFFAOYSA-N 0 3 349.475 2.343 20 10 EECDHN O=C1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3F)C[C@@H]12 ZINC001140667869 1314926580 /nfs/dbraw/zinc/92/65/80/1314926580.db2.gz KXSVMZUFXWWPNH-WMLDXEAASA-N 0 3 332.419 2.463 20 10 EECDHN CCC(=O)N(C)C1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141146322 1315050242 /nfs/dbraw/zinc/05/02/42/1315050242.db2.gz SGABRHZEXAANML-UHFFFAOYSA-N 0 3 331.460 2.348 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000840976514 1315449969 /nfs/dbraw/zinc/44/99/69/1315449969.db2.gz XGNBPJMEWCIIJY-IEBWSBKVSA-N 0 3 343.423 2.146 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000840976514 1315449974 /nfs/dbraw/zinc/44/99/74/1315449974.db2.gz XGNBPJMEWCIIJY-IEBWSBKVSA-N 0 3 343.423 2.146 20 10 EECDHN O=C(NCc1ccccc1O)C1CCN(Cc2ccncc2)CC1 ZINC001142346747 1315576788 /nfs/dbraw/zinc/57/67/88/1315576788.db2.gz BLGGTGGRDWKQFT-UHFFFAOYSA-N 0 3 325.412 2.316 20 10 EECDHN C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)CN1 ZINC000841706479 1315601010 /nfs/dbraw/zinc/60/10/10/1315601010.db2.gz GMVYNFLMEIKTAC-GJZGRUSLSA-N 0 3 348.516 2.132 20 10 EECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584559 1317473051 /nfs/dbraw/zinc/47/30/51/1317473051.db2.gz YSRMVFJEMJUEGD-GFCCVEGCSA-N 0 3 339.329 2.492 20 10 EECDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584559 1317473055 /nfs/dbraw/zinc/47/30/55/1317473055.db2.gz YSRMVFJEMJUEGD-GFCCVEGCSA-N 0 3 339.329 2.492 20 10 EECDHN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552276 1321910424 /nfs/dbraw/zinc/91/04/24/1321910424.db2.gz HKJUGJIELPYWCB-FXAWDEMLSA-N 0 3 337.423 2.316 20 10 EECDHN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552276 1321910425 /nfs/dbraw/zinc/91/04/25/1321910425.db2.gz HKJUGJIELPYWCB-FXAWDEMLSA-N 0 3 337.423 2.316 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001203552962 1321911061 /nfs/dbraw/zinc/91/10/61/1321911061.db2.gz XATXPYUQKPWLJP-APWZRJJASA-N 0 3 326.396 2.315 20 10 EECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001203552962 1321911064 /nfs/dbraw/zinc/91/10/64/1321911064.db2.gz XATXPYUQKPWLJP-APWZRJJASA-N 0 3 326.396 2.315 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001204274916 1322101102 /nfs/dbraw/zinc/10/11/02/1322101102.db2.gz VOBBJPXSULYFJL-AEFFLSMTSA-N 0 3 339.439 2.447 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001204274916 1322101112 /nfs/dbraw/zinc/10/11/12/1322101112.db2.gz VOBBJPXSULYFJL-AEFFLSMTSA-N 0 3 339.439 2.447 20 10 EECDHN COc1cc([O-])c(CN2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205116955 1322289234 /nfs/dbraw/zinc/28/92/34/1322289234.db2.gz JZZYTTFSCMEURI-LLVKDONJSA-N 0 3 329.238 2.477 20 10 EECDHN CCN(C)c1ccc(CN2CCC(O)(c3nccn3C)CC2)cc1 ZINC001308048276 1331560139 /nfs/dbraw/zinc/56/01/39/1331560139.db2.gz YLFQTCFBOPFLFE-UHFFFAOYSA-N 0 3 328.460 2.360 20 10 EECDHN COCn1ncc(C)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001329564978 1334674910 /nfs/dbraw/zinc/67/49/10/1334674910.db2.gz MNSVGOOPMKTXML-UHFFFAOYSA-N 0 3 344.459 2.046 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3ncncc3C)C2)c(OC)c1 ZINC001141032955 1372746084 /nfs/dbraw/zinc/74/60/84/1372746084.db2.gz UWVIIZUGZPPECL-CYBMUJFWSA-N 0 3 345.399 2.161 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3nccnc3C)C2)c(OC)c1 ZINC001141032902 1372746381 /nfs/dbraw/zinc/74/63/81/1372746381.db2.gz RXYRPZRHBLIFPT-CYBMUJFWSA-N 0 3 345.399 2.161 20 10 EECDHN COc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CCC(C)(C)C2)cc1C ZINC001755638445 1407699081 /nfs/dbraw/zinc/69/90/81/1407699081.db2.gz VBCZVARBSYPDCR-IRXDYDNUSA-N 0 3 348.487 2.397 20 10 EECDHN Cn1ccc2cnc(NCc3ccc(N4CCN(C)CC4)cc3)nc21 ZINC001167422796 758342472 /nfs/dbraw/zinc/34/24/72/758342472.db2.gz BRBIZZRCFXRXQP-UHFFFAOYSA-N 0 3 336.443 2.332 20 10 EECDHN C[C@H](C1CC1)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000154832806 769435263 /nfs/dbraw/zinc/43/52/63/769435263.db2.gz BOJADBGXNSIVDH-CQSZACIVSA-N 0 3 349.450 2.009 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846824290 790599368 /nfs/dbraw/zinc/59/93/68/790599368.db2.gz LXLISCZHQXKHRK-SFHVURJKSA-N 0 3 336.432 2.196 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846824290 790599378 /nfs/dbraw/zinc/59/93/78/790599378.db2.gz LXLISCZHQXKHRK-SFHVURJKSA-N 0 3 336.432 2.196 20 10 EECDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000819822714 785698676 /nfs/dbraw/zinc/69/86/76/785698676.db2.gz BWTJIFHFENSTJU-QGZVFWFLSA-N 0 3 343.471 2.363 20 10 EECDHN CCOc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c([O-])c1 ZINC000824790022 788319712 /nfs/dbraw/zinc/31/97/12/788319712.db2.gz JOFCIYAGHIOMFV-UHFFFAOYSA-N 0 3 335.425 2.484 20 10 EECDHN CCOc1ccc(CNCc2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC000824790022 788319715 /nfs/dbraw/zinc/31/97/15/788319715.db2.gz JOFCIYAGHIOMFV-UHFFFAOYSA-N 0 3 335.425 2.484 20 10 EECDHN CCOC[C@H]1CN(Cc2c(O)cc(O)cc2O)Cc2c1cnn2CC ZINC001144509999 789910110 /nfs/dbraw/zinc/91/01/10/789910110.db2.gz PNWOMTAUALEZKV-GFCCVEGCSA-N 0 3 347.415 2.156 20 10 EECDHN CN(C)c1ccc(CN[C@@H]2CCCN(C)C2=O)c(C(F)(F)F)c1 ZINC000793009466 810103719 /nfs/dbraw/zinc/10/37/19/810103719.db2.gz RXRSMMPSCRJTRF-CQSZACIVSA-N 0 3 329.366 2.482 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000808675005 812809397 /nfs/dbraw/zinc/80/93/97/812809397.db2.gz TWNWSHGONZJRDH-NSHDSACASA-N 0 3 346.880 2.429 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000092506776 278010695 /nfs/dbraw/zinc/01/06/95/278010695.db2.gz NIOVDBJUBXATRZ-UXLLHSPISA-N 0 3 334.460 2.474 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000092506776 278010696 /nfs/dbraw/zinc/01/06/96/278010696.db2.gz NIOVDBJUBXATRZ-UXLLHSPISA-N 0 3 334.460 2.474 20 10 EECDHN CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1[O-] ZINC000119692823 462923667 /nfs/dbraw/zinc/92/36/67/462923667.db2.gz GSYNSCKMKLRZDG-INIZCTEOSA-N 0 3 334.441 2.323 20 10 EECDHN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000122389452 463260817 /nfs/dbraw/zinc/26/08/17/463260817.db2.gz LJNXIEHFIDOJEP-BBWFWOEESA-N 0 3 345.487 2.401 20 10 EECDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000151072686 463472701 /nfs/dbraw/zinc/47/27/01/463472701.db2.gz COYIDHMGRUKSFU-MRXNPFEDSA-N 0 3 333.476 2.260 20 10 EECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1CNCCO1 ZINC000269101971 463874287 /nfs/dbraw/zinc/87/42/87/463874287.db2.gz DYQCBQQOBOALIR-GOSISDBHSA-N 0 3 331.460 2.014 20 10 EECDHN CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278316752 463961434 /nfs/dbraw/zinc/96/14/34/463961434.db2.gz XLZUKXIWDQBHSL-ZDUSSCGKSA-N 0 3 337.420 2.473 20 10 EECDHN CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278316752 463961440 /nfs/dbraw/zinc/96/14/40/463961440.db2.gz XLZUKXIWDQBHSL-ZDUSSCGKSA-N 0 3 337.420 2.473 20 10 EECDHN COC[C@@H](C)OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000278479719 463965899 /nfs/dbraw/zinc/96/58/99/463965899.db2.gz AKKPQBRFDBYCIT-DNVCBOLYSA-N 0 3 336.476 2.129 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)OCO2 ZINC000289946037 464102591 /nfs/dbraw/zinc/10/25/91/464102591.db2.gz UOLBVMZOEOKJIK-KXBFYZLASA-N 0 3 327.380 2.377 20 10 EECDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc3c(c2)CCCN3C)C1(C)C ZINC000188136307 464207345 /nfs/dbraw/zinc/20/73/45/464207345.db2.gz REQCUJIGZIYRNP-PXNSSMCTSA-N 0 3 345.487 2.218 20 10 EECDHN CN(C)c1ccc(CN2CCC[C@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000280519280 464216516 /nfs/dbraw/zinc/21/65/16/464216516.db2.gz IUEOTBNWDMXBGW-LBPRGKRZSA-N 0 3 329.366 2.469 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000271770120 464378783 /nfs/dbraw/zinc/37/87/83/464378783.db2.gz BJIUNSQPGOAMFK-HNNXBMFYSA-N 0 3 335.375 2.242 20 10 EECDHN CCC[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000272273448 464546409 /nfs/dbraw/zinc/54/64/09/464546409.db2.gz BXPYJZCYYDGNSZ-IOASZLSFSA-N 0 3 337.439 2.183 20 10 EECDHN COc1ccc(CNC(=O)CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182459345 464661273 /nfs/dbraw/zinc/66/12/73/464661273.db2.gz WLEMJGNSSPXJLD-CYBMUJFWSA-N 0 3 344.411 2.376 20 10 EECDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([O-])c1O ZINC000182855627 464744596 /nfs/dbraw/zinc/74/45/96/464744596.db2.gz LELIACZMTZZKTA-CZUORRHYSA-N 0 3 330.428 2.495 20 10 EECDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([O-])c1O ZINC000182855627 464744600 /nfs/dbraw/zinc/74/46/00/464744600.db2.gz LELIACZMTZZKTA-CZUORRHYSA-N 0 3 330.428 2.495 20 10 EECDHN C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000183452314 464866265 /nfs/dbraw/zinc/86/62/65/464866265.db2.gz OEKHIYYTCKWQTA-AWEZNQCLSA-N 0 3 334.441 2.162 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000295824932 464977888 /nfs/dbraw/zinc/97/78/88/464977888.db2.gz CCJYEBLVCFMQSB-BHIYHBOVSA-N 0 3 345.487 2.114 20 10 EECDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCc3c2cnn3CCO)c1 ZINC000324394104 466646343 /nfs/dbraw/zinc/64/63/43/466646343.db2.gz QZKPTOAJZRUQRZ-WBMJQRKESA-N 0 3 331.416 2.318 20 10 EECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000377644910 467105023 /nfs/dbraw/zinc/10/50/23/467105023.db2.gz ICVONBWSTPJVFQ-HNNXBMFYSA-N 0 3 325.412 2.168 20 10 EECDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000101904733 527514667 /nfs/dbraw/zinc/51/46/67/527514667.db2.gz KVNNAHBFXNUCLW-CYBMUJFWSA-N 0 3 334.416 2.105 20 10 EECDHN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000101904733 527514672 /nfs/dbraw/zinc/51/46/72/527514672.db2.gz KVNNAHBFXNUCLW-CYBMUJFWSA-N 0 3 334.416 2.105 20 10 EECDHN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000101904733 527514679 /nfs/dbraw/zinc/51/46/79/527514679.db2.gz KVNNAHBFXNUCLW-CYBMUJFWSA-N 0 3 334.416 2.105 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC000092218323 528661994 /nfs/dbraw/zinc/66/19/94/528661994.db2.gz FUXCRDIUSGBNSI-KRWDZBQOSA-N 0 3 334.460 2.478 20 10 EECDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c([O-])c1 ZINC000092218323 528661999 /nfs/dbraw/zinc/66/19/99/528661999.db2.gz FUXCRDIUSGBNSI-KRWDZBQOSA-N 0 3 334.460 2.478 20 10 EECDHN CCN1CCC(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000108768324 528975369 /nfs/dbraw/zinc/97/53/69/528975369.db2.gz AUFQRIXFXXTJGJ-VMPITWQZSA-N 0 3 343.471 2.137 20 10 EECDHN CCN1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000159780373 529026626 /nfs/dbraw/zinc/02/66/26/529026626.db2.gz BPVJCUULFTWMCX-UHFFFAOYSA-N 0 3 330.476 2.306 20 10 EECDHN O=C(CNCc1cc2c(cc1O)OCO2)Nc1ccc(F)c(F)c1 ZINC000725841968 576061650 /nfs/dbraw/zinc/06/16/50/576061650.db2.gz UCFHWIYDYIMAOD-UHFFFAOYSA-N 0 3 336.294 2.127 20 10 EECDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC(=O)NC1CC1 ZINC000731847792 577127529 /nfs/dbraw/zinc/12/75/29/577127529.db2.gz OJTQKECKPGYFQI-UHFFFAOYSA-N 0 3 331.416 2.125 20 10 EECDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC(=O)NC1CC1 ZINC000731847792 577127531 /nfs/dbraw/zinc/12/75/31/577127531.db2.gz OJTQKECKPGYFQI-UHFFFAOYSA-N 0 3 331.416 2.125 20 10 EECDHN COC1(CO)CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000775206233 577432731 /nfs/dbraw/zinc/43/27/31/577432731.db2.gz WTFKDGDMBQPDOY-UHFFFAOYSA-N 0 3 330.222 2.128 20 10 EECDHN CC[C@@H]1[C@H](C)CCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000775783790 577445475 /nfs/dbraw/zinc/44/54/75/577445475.db2.gz VITLWMIVDVDYGX-VQIMIIECSA-N 0 3 345.487 2.464 20 10 EECDHN COc1ncc(/C=C\C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cn1 ZINC000775846509 577447134 /nfs/dbraw/zinc/44/71/34/577447134.db2.gz QAGOOFHUOYCQHY-HLRDLLSLSA-N 0 3 338.411 2.018 20 10 EECDHN COC1CCN(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776238828 577455432 /nfs/dbraw/zinc/45/54/32/577455432.db2.gz PSUXEPKMCHDLPH-OAHLLOKOSA-N 0 3 348.491 2.224 20 10 EECDHN [O-]c1cc2c(cc1CN1CCC[N@@H+](C3CCCC3)CC1)[C@H](O)CO2 ZINC000768445225 577555755 /nfs/dbraw/zinc/55/57/55/577555755.db2.gz GNYJMUQWGJSRMC-GOSISDBHSA-N 0 3 332.444 2.268 20 10 EECDHN [O-]c1cc2c(cc1CN1CCC[N@H+](C3CCCC3)CC1)[C@H](O)CO2 ZINC000768445225 577555756 /nfs/dbraw/zinc/55/57/56/577555756.db2.gz GNYJMUQWGJSRMC-GOSISDBHSA-N 0 3 332.444 2.268 20 10 EECDHN CCOc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([O-])c1 ZINC000770353276 577594522 /nfs/dbraw/zinc/59/45/22/577594522.db2.gz ZDEJSIPKJCYZDC-SZVBFZGTSA-N 0 3 334.460 2.474 20 10 EECDHN C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(F)ccc1[O-] ZINC000756836529 577850911 /nfs/dbraw/zinc/85/09/11/577850911.db2.gz BGAIZFXTMIYRAZ-ZIBATOQPSA-N 0 3 332.379 2.109 20 10 EECDHN Cc1cncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891250495 676245383 /nfs/dbraw/zinc/24/53/83/676245383.db2.gz AJLNFFKYICZFLY-SFHVURJKSA-N 0 3 326.444 2.489 20 10 EECDHN Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891251679 676248228 /nfs/dbraw/zinc/24/82/28/676248228.db2.gz DULROHIIZFTDAW-GOSISDBHSA-N 0 3 326.444 2.489 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(O)cc2)N(C)C)cc1 ZINC000891254652 676250366 /nfs/dbraw/zinc/25/03/66/676250366.db2.gz ZXRGQDAWGCYLHH-IBGZPJMESA-N 0 3 341.455 2.420 20 10 EECDHN COc1ccc(CN2CCC(c3nc(C)no3)CC2)c(O)c1OC ZINC000891700341 676792007 /nfs/dbraw/zinc/79/20/07/676792007.db2.gz JWQQMRAODRSLBO-UHFFFAOYSA-N 0 3 333.388 2.480 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCC2CCOCC2)N(C)C)cc1 ZINC000892547050 681719338 /nfs/dbraw/zinc/71/93/38/681719338.db2.gz USEAJRMVFYCPCM-SFHVURJKSA-N 0 3 348.491 2.081 20 10 EECDHN COc1ccc(CNCC(=O)N(C)Cc2ccccc2)c(O)c1OC ZINC000892630112 682019210 /nfs/dbraw/zinc/01/92/10/682019210.db2.gz HHTXRIDOJRUQIE-UHFFFAOYSA-N 0 3 344.411 2.158 20 10 EECDHN CCOC[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894309346 682351079 /nfs/dbraw/zinc/35/10/79/682351079.db2.gz CFWYGNRBGJESKJ-WMLDXEAASA-N 0 3 336.480 2.080 20 10 EECDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCOc2ccccc2)c1 ZINC000182426285 684187933 /nfs/dbraw/zinc/18/79/33/684187933.db2.gz YHSMPPNIFWKEEC-AWEZNQCLSA-N 0 3 344.411 2.247 20 10 EECDHN C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000895850863 684748272 /nfs/dbraw/zinc/74/82/72/684748272.db2.gz GMTXQQXBFHMNFJ-QWHCGFSZSA-N 0 3 326.462 2.103 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@]1(C)CCC[NH2+]C1 ZINC000904318862 694359303 /nfs/dbraw/zinc/35/93/03/694359303.db2.gz YBHMJURUCYTDKT-KRWDZBQOSA-N 0 3 340.851 2.410 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CCOC(C)(C)C2)N(C)C)cc1 ZINC000899101306 693605627 /nfs/dbraw/zinc/60/56/27/693605627.db2.gz IOJVFUILXLRXKS-KRWDZBQOSA-N 0 3 348.491 2.176 20 10 EECDHN CN(Cc1ccccc1O)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000841995783 1188217906 /nfs/dbraw/zinc/21/79/06/1188217906.db2.gz JDRUHQYOPHQFNY-KRWDZBQOSA-N 0 3 325.412 2.421 20 10 EECDHN COCCCN1CC[C@]2(CCCN2Cc2ccc(N(C)C)cc2)C1=O ZINC001272917627 1193603726 /nfs/dbraw/zinc/60/37/26/1193603726.db2.gz YDQMQARXEWXAHD-HXUWFJFHSA-N 0 3 345.487 2.356 20 10 EECDHN COC(=O)c1ccc(CNCc2ccc3c(c2)CCCN3C)n1C ZINC000873029295 1198477983 /nfs/dbraw/zinc/47/79/83/1198477983.db2.gz BAARTTMSKVFIDL-UHFFFAOYSA-N 0 3 327.428 2.484 20 10 EECDHN CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648627 1201193610 /nfs/dbraw/zinc/19/36/10/1201193610.db2.gz WUKGMMONHRJWPA-CYBMUJFWSA-N 0 3 341.411 2.431 20 10 EECDHN C[C@@H](N[C@H](C)c1ccccc1O)C(=O)N1CC(=O)Nc2ccccc21 ZINC000879648632 1201193924 /nfs/dbraw/zinc/19/39/24/1201193924.db2.gz WZAVVITWMSQZNY-CHWSQXEVSA-N 0 3 339.395 2.417 20 10 EECDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CC(=O)Nc2ccccc21 ZINC000879648632 1201193926 /nfs/dbraw/zinc/19/39/26/1201193926.db2.gz WZAVVITWMSQZNY-CHWSQXEVSA-N 0 3 339.395 2.417 20 10 EECDHN CN1CCN(c2cc[nH+]cc2NCc2cc(F)cc(F)c2[O-])CC1 ZINC000883075418 1202007566 /nfs/dbraw/zinc/00/75/66/1202007566.db2.gz BCPFDIKUNIBETQ-UHFFFAOYSA-N 0 3 334.370 2.429 20 10 EECDHN COc1cccc(CN2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c1O ZINC001275273626 1205296285 /nfs/dbraw/zinc/29/62/85/1205296285.db2.gz TYRLHHJLDHHEMQ-WMZOPIPTSA-N 0 3 332.444 2.228 20 10 EECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001275913764 1205583335 /nfs/dbraw/zinc/58/33/35/1205583335.db2.gz QWGLHIDKYLNYQN-UHFFFAOYSA-N 0 3 344.434 2.326 20 10 EECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001275913764 1205583337 /nfs/dbraw/zinc/58/33/37/1205583337.db2.gz QWGLHIDKYLNYQN-UHFFFAOYSA-N 0 3 344.434 2.326 20 10 EECDHN CCn1ccnc1CN1CC2(C1)CN(Cc1cccc(C)c1O)C2 ZINC001276080568 1205763445 /nfs/dbraw/zinc/76/34/45/1205763445.db2.gz QQPPBISYXICSRQ-UHFFFAOYSA-N 0 3 326.444 2.235 20 10 EECDHN COCCN1CCC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001006464541 1210477512 /nfs/dbraw/zinc/47/75/12/1210477512.db2.gz UJODSPKLGDVVKE-UHFFFAOYSA-N 0 3 347.419 2.032 20 10 EECDHN COc1cc(CN[C@H](C)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850136321 1277059688 /nfs/dbraw/zinc/05/96/88/1277059688.db2.gz XXOCMECXIMBCGQ-LLVKDONJSA-N 0 3 329.462 2.221 20 10 EECDHN C[C@@H]1CN(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C[C@H](C)O1 ZINC000851841084 1291877887 /nfs/dbraw/zinc/87/78/87/1291877887.db2.gz MTOCZTBACKAPRX-SCTDSRPQSA-N 0 3 348.487 2.482 20 10 EECDHN C[C@@H]1CN(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C[C@H](C)O1 ZINC000851841084 1291877895 /nfs/dbraw/zinc/87/78/95/1291877895.db2.gz MTOCZTBACKAPRX-SCTDSRPQSA-N 0 3 348.487 2.482 20 10 EECDHN O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[C@@H]4NCCO[C@@H]43)cccc21 ZINC001218116921 1297578615 /nfs/dbraw/zinc/57/86/15/1297578615.db2.gz SQYSVIPLQWBBKP-WJPUGNRLSA-N 0 3 349.386 2.360 20 10 EECDHN COc1cc(C)c(CN2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c(O)c1 ZINC001276806714 1298090374 /nfs/dbraw/zinc/09/03/74/1298090374.db2.gz SYWKENLLRBBBJV-IYBDPMFKSA-N 0 3 342.443 2.281 20 10 EECDHN COc1ccc(N2C[C@H]3CC[C@@H](C2)N3CCn2ccnc2)cc1F ZINC001277010587 1300804118 /nfs/dbraw/zinc/80/41/18/1300804118.db2.gz UUEHMHNIJMXNHT-IYBDPMFKSA-N 0 3 330.407 2.384 20 10 EECDHN CCOc1cccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)c1O ZINC001277453886 1303173485 /nfs/dbraw/zinc/17/34/85/1303173485.db2.gz JHXKTTHBRFYZDQ-BEFAXECRSA-N 0 3 328.412 2.154 20 10 EECDHN COc1ccc(Br)c(CN2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC001231557119 1303844524 /nfs/dbraw/zinc/84/45/24/1303844524.db2.gz QMQVLPSQBGOURP-PHIMTYICSA-N 0 3 341.249 2.442 20 10 EECDHN COc1cc(CN2CCC[C@@H](Oc3ncncc3C)C2)c(O)cc1O ZINC001231640177 1303876729 /nfs/dbraw/zinc/87/67/29/1303876729.db2.gz PXNBCEQXHLPGCN-CQSZACIVSA-N 0 3 345.399 2.248 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC(N2CCOCC2)CC1 ZINC001231849332 1303929900 /nfs/dbraw/zinc/92/99/00/1303929900.db2.gz RHOFPGNHGWVMOH-UHFFFAOYSA-N 0 3 333.476 2.058 20 10 EECDHN [O-]c1c(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cccc1OC(F)(F)F ZINC001233736343 1304573712 /nfs/dbraw/zinc/57/37/12/1304573712.db2.gz IMEKMLKUEIQNLA-LBPRGKRZSA-N 0 3 347.333 2.407 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(C)C(=O)[C@H]4C3)c2c1 ZINC001234544974 1304961126 /nfs/dbraw/zinc/96/11/26/1304961126.db2.gz OECQVVFGVAIHIU-CJNGLKHVSA-N 0 3 326.396 2.074 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(C)C(=O)[C@H]4C3)c2c1 ZINC001234544974 1304961129 /nfs/dbraw/zinc/96/11/29/1304961129.db2.gz OECQVVFGVAIHIU-CJNGLKHVSA-N 0 3 326.396 2.074 20 10 EECDHN C[C@H]1CC[C@@H]([NH3+])CN1Cc1ccc(I)cc1[O-] ZINC001235901567 1305440092 /nfs/dbraw/zinc/44/00/92/1305440092.db2.gz DLLABVALCCVXJK-JOYOIKCWSA-N 0 3 346.212 2.308 20 10 EECDHN COc1cc(O)c(CN2CCC[C@H](Oc3ncccn3)C2)cc1OC ZINC001236753869 1305659031 /nfs/dbraw/zinc/65/90/31/1305659031.db2.gz QSQXCQBBXGHWPL-AWEZNQCLSA-N 0 3 345.399 2.243 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001237640935 1306020081 /nfs/dbraw/zinc/02/00/81/1306020081.db2.gz IHTOGMQQINKULK-APWZRJJASA-N 0 3 331.387 2.373 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001237640935 1306020095 /nfs/dbraw/zinc/02/00/95/1306020095.db2.gz IHTOGMQQINKULK-APWZRJJASA-N 0 3 331.387 2.373 20 10 EECDHN CCNC(=O)OC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499513 1314622592 /nfs/dbraw/zinc/62/25/92/1314622592.db2.gz NRPPFJIXHRHUPD-UHFFFAOYSA-N 0 3 347.459 2.234 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c(OC)c1 ZINC001141034983 1315022672 /nfs/dbraw/zinc/02/26/72/1315022672.db2.gz YBTIANAXRULLIJ-UHFFFAOYSA-N 0 3 349.431 2.039 20 10 EECDHN Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4[O-])C[C@H]3C2)cn1 ZINC001203552893 1321910855 /nfs/dbraw/zinc/91/08/55/1321910855.db2.gz UTCJLHALVKVSFS-SJLPKXTDSA-N 0 3 326.444 2.080 20 10 EECDHN Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4[O-])C[C@H]3C2)cn1 ZINC001203552893 1321910858 /nfs/dbraw/zinc/91/08/58/1321910858.db2.gz UTCJLHALVKVSFS-SJLPKXTDSA-N 0 3 326.444 2.080 20 10 EECDHN COc1ccc(O)c(CN2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)c1 ZINC001203680846 1321940073 /nfs/dbraw/zinc/94/00/73/1321940073.db2.gz HCDCHEFEUKORIV-ZFWWWQNUSA-N 0 3 334.416 2.452 20 10 EECDHN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273005 1322098813 /nfs/dbraw/zinc/09/88/13/1322098813.db2.gz IYTLONRPSXLTEP-FXAWDEMLSA-N 0 3 338.407 2.204 20 10 EECDHN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273005 1322098819 /nfs/dbraw/zinc/09/88/19/1322098819.db2.gz IYTLONRPSXLTEP-FXAWDEMLSA-N 0 3 338.407 2.204 20 10 EECDHN CC(C)Oc1ncnc2c1CC[N@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204273720 1322100316 /nfs/dbraw/zinc/10/03/16/1322100316.db2.gz SOQDJFQUUOZQNB-UHFFFAOYSA-N 0 3 329.400 2.276 20 10 EECDHN CC(C)Oc1ncnc2c1CC[N@@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204273720 1322100319 /nfs/dbraw/zinc/10/03/19/1322100319.db2.gz SOQDJFQUUOZQNB-UHFFFAOYSA-N 0 3 329.400 2.276 20 10 EECDHN CCOC(=O)c1c(CN2CCNC[C@H](F)C2)c2ccccc2n1C ZINC001210609399 1325352122 /nfs/dbraw/zinc/35/21/22/1325352122.db2.gz GRIRVLLIZALEHB-ZDUSSCGKSA-N 0 3 333.407 2.098 20 10 EECDHN Cc1cc(CN2CCCN(Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC001319815258 1332774620 /nfs/dbraw/zinc/77/46/20/1332774620.db2.gz PEXWRHZXADASIH-UHFFFAOYSA-N 0 3 345.399 2.125 20 10 EECDHN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000691461521 1371205687 /nfs/dbraw/zinc/20/56/87/1371205687.db2.gz IQJFRDZNCKVRHY-UONOGXRCSA-N 0 3 341.249 2.108 20 10 EECDHN CCN(C(C)=O)C1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141032595 1372745810 /nfs/dbraw/zinc/74/58/10/1372745810.db2.gz IMKZMLCOXFECPH-UHFFFAOYSA-N 0 3 336.432 2.242 20 10 EECDHN CCN(CCO)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000183990331 782411899 /nfs/dbraw/zinc/41/18/99/782411899.db2.gz CZEBOLLSAQNXKM-UHFFFAOYSA-N 0 3 335.473 2.200 20 10 EECDHN CCCN(C)CC(=O)NCCC1=CCN(c2nc(C)ncc2C)CC1 ZINC001089839870 777545167 /nfs/dbraw/zinc/54/51/67/777545167.db2.gz BDMIZKKVYCCZRK-UHFFFAOYSA-N 0 3 345.491 2.078 20 10 EECDHN NC(=O)C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000809784958 783388429 /nfs/dbraw/zinc/38/84/29/783388429.db2.gz MWJPMDFXEDYUGX-OAHLLOKOSA-N 0 3 346.431 2.282 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)c1[O-] ZINC000809784822 783388447 /nfs/dbraw/zinc/38/84/47/783388447.db2.gz OEPLRWOVOADNFO-LBPRGKRZSA-N 0 3 346.880 2.354 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CNCCO2)c1[O-] ZINC000817984532 785133400 /nfs/dbraw/zinc/13/34/00/785133400.db2.gz ZOHLNWDAZWCCHU-PWSUYJOCSA-N 0 3 329.238 2.102 20 10 EECDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000818011468 785170583 /nfs/dbraw/zinc/17/05/83/785170583.db2.gz GMSMCUJTCZVTBC-INIZCTEOSA-N 0 3 347.846 2.466 20 10 EECDHN COc1cccnc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000825249663 788535792 /nfs/dbraw/zinc/53/57/92/788535792.db2.gz MPSHPYSCCKYBLQ-UHFFFAOYSA-N 0 3 326.444 2.132 20 10 EECDHN C[C@@H]1CN(CCF)C[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001093240903 794857467 /nfs/dbraw/zinc/85/74/67/794857467.db2.gz NBYCFTZHDLPRQT-DGCLKSJQSA-N 0 3 335.383 2.116 20 10 EECDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1 ZINC001171690768 796712890 /nfs/dbraw/zinc/71/28/90/796712890.db2.gz HMIZNXABILXWDO-AWEZNQCLSA-N 0 3 333.432 2.378 20 10 EECDHN COc1ccc(N2CCN([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC2)c(C)c1 ZINC001172185881 796897911 /nfs/dbraw/zinc/89/79/11/796897911.db2.gz QVKFJDFYOGFSLH-IAGOWNOFSA-N 0 3 343.471 2.279 20 10 EECDHN Cc1nc(N)sc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001523581143 1119813740 /nfs/dbraw/zinc/81/37/40/1119813740.db2.gz NMWPPWLIFQMLKG-AWEZNQCLSA-N 0 3 347.488 2.132 20 10 EECDHN C[C@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(F)cc1F ZINC000114509453 237177122 /nfs/dbraw/zinc/17/71/22/237177122.db2.gz WNFOOOIDYHBDHG-KRWDZBQOSA-N 0 3 337.322 2.396 20 10 EECDHN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000192955284 237354026 /nfs/dbraw/zinc/35/40/26/237354026.db2.gz UJNJOTBPUAAPGZ-ZDUSSCGKSA-N 0 3 326.462 2.165 20 10 EECDHN CN(C)S(=O)(=O)c1ccccc1CN[C@H]1CCc2cccc(O)c21 ZINC000296084095 465075456 /nfs/dbraw/zinc/07/54/56/465075456.db2.gz STSDWHIUVNQTDA-HNNXBMFYSA-N 0 3 346.452 2.420 20 10 EECDHN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1CCCCCC1 ZINC000074227809 462573465 /nfs/dbraw/zinc/57/34/65/462573465.db2.gz VBLDOICEMUFUNY-KRWDZBQOSA-N 0 3 345.487 2.404 20 10 EECDHN CC[C@H]1CCCCN1CCNC(=O)NCc1cccc(OC)c1O ZINC000074345962 462589434 /nfs/dbraw/zinc/58/94/34/462589434.db2.gz JBIQGFKYZCNRHM-HNNXBMFYSA-N 0 3 335.448 2.465 20 10 EECDHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278863232 464002654 /nfs/dbraw/zinc/00/26/54/464002654.db2.gz MDHQQGYWADVXHC-KGLIPLIRSA-N 0 3 335.404 2.368 20 10 EECDHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278863232 464002656 /nfs/dbraw/zinc/00/26/56/464002656.db2.gz MDHQQGYWADVXHC-KGLIPLIRSA-N 0 3 335.404 2.368 20 10 EECDHN COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(F)ccc2[O-])cc1O ZINC000289514110 464082526 /nfs/dbraw/zinc/08/25/26/464082526.db2.gz UXZIYOWPWLNZBR-ZDUSSCGKSA-N 0 3 335.375 2.186 20 10 EECDHN CN(C)c1ccc(CN[C@]2(CCO)CCOC2)c(C(F)(F)F)c1 ZINC000280106219 464189703 /nfs/dbraw/zinc/18/97/03/464189703.db2.gz BBUDDDQOKPNILO-OAHLLOKOSA-N 0 3 332.366 2.403 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284757319 464325519 /nfs/dbraw/zinc/32/55/19/464325519.db2.gz LVEQTGABSQWLIF-RTBURBONSA-N 0 3 345.487 2.354 20 10 EECDHN COc1ccc(O)c(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000293722437 464419320 /nfs/dbraw/zinc/41/93/20/464419320.db2.gz UCESYSOVJKEKRW-SFHVURJKSA-N 0 3 340.423 2.334 20 10 EECDHN Oc1cc2c(cc1CN1CCC[C@@](O)(C(F)(F)F)CC1)OCO2 ZINC000285181828 464479289 /nfs/dbraw/zinc/47/92/89/464479289.db2.gz RDXOVWVRTZEROQ-AWEZNQCLSA-N 0 3 333.306 2.400 20 10 EECDHN CCC[C@@]1(NCC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000285531193 464599033 /nfs/dbraw/zinc/59/90/33/464599033.db2.gz KXKQEUBPFIUOBZ-LJQANCHMSA-N 0 3 333.476 2.260 20 10 EECDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)[C@H]2C1 ZINC000272418983 464602347 /nfs/dbraw/zinc/60/23/47/464602347.db2.gz HEJTYFLOOJOIAU-APWZRJJASA-N 0 3 342.487 2.305 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c([O-])c1 ZINC000285552390 464606974 /nfs/dbraw/zinc/60/69/74/464606974.db2.gz FFEXEQCRBJUILK-MGNMYUMUSA-N 0 3 345.487 2.435 20 10 EECDHN CCOc1ccc(O)c(CNC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285613663 464629720 /nfs/dbraw/zinc/62/97/20/464629720.db2.gz XNHNUUHRIOINFD-HNNXBMFYSA-N 0 3 348.365 2.144 20 10 EECDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275119851 464765030 /nfs/dbraw/zinc/76/50/30/464765030.db2.gz GPXXRJBHNVFMED-GFCCVEGCSA-N 0 3 346.349 2.291 20 10 EECDHN CCOc1cccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275119851 464765035 /nfs/dbraw/zinc/76/50/35/464765035.db2.gz GPXXRJBHNVFMED-GFCCVEGCSA-N 0 3 346.349 2.291 20 10 EECDHN CNC(=O)[C@@H]1CCCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295408293 464819799 /nfs/dbraw/zinc/81/97/99/464819799.db2.gz CYZREDPUYAKDIL-SFHVURJKSA-N 0 3 331.460 2.012 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccccc1[O-] ZINC000183326829 464850218 /nfs/dbraw/zinc/85/02/18/464850218.db2.gz XCCPUOUTSVRIKH-LSDHHAIUSA-N 0 3 328.416 2.280 20 10 EECDHN COCCOCCOCCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000276230790 464855674 /nfs/dbraw/zinc/85/56/74/464855674.db2.gz RSFWOERWYXSPCH-UHFFFAOYSA-N 0 3 328.428 2.003 20 10 EECDHN CN(C)c1ccc(CNC(=O)CN(CCCO)CC(C)(C)C)cc1 ZINC000299185446 522187072 /nfs/dbraw/zinc/18/70/72/522187072.db2.gz BXCTUPLFOZZWIU-UHFFFAOYSA-N 0 3 335.492 2.099 20 10 EECDHN CN(C)C(=O)C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000725846269 576065965 /nfs/dbraw/zinc/06/59/65/576065965.db2.gz AZGKWYPUVRTKQJ-OAHLLOKOSA-N 0 3 342.395 2.430 20 10 EECDHN COc1ccc(O)c(CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000734065044 577273214 /nfs/dbraw/zinc/27/32/14/577273214.db2.gz SOBDRHLDMHFTKH-KBPBESRZSA-N 0 3 335.448 2.463 20 10 EECDHN O=[N+]([O-])c1cc(CNC2(CO)CCOCC2)ccc1N1CCCCC1 ZINC000734845149 577329577 /nfs/dbraw/zinc/32/95/77/577329577.db2.gz KZJUXFJMMBFSJP-UHFFFAOYSA-N 0 3 349.431 2.216 20 10 EECDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000774482443 577400666 /nfs/dbraw/zinc/40/06/66/577400666.db2.gz KRFOTIZWBSKZTJ-STQMWFEESA-N 0 3 334.464 2.416 20 10 EECDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccncc1 ZINC000768401670 577555042 /nfs/dbraw/zinc/55/50/42/577555042.db2.gz GHBNWCPCLRBVSG-HNNXBMFYSA-N 0 3 345.468 2.167 20 10 EECDHN C[N@H+](CCOc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441967 577555580 /nfs/dbraw/zinc/55/55/80/577555580.db2.gz MULMUYIUSCVAGT-QGZVFWFLSA-N 0 3 333.359 2.468 20 10 EECDHN C[N@@H+](CCOc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441967 577555581 /nfs/dbraw/zinc/55/55/81/577555581.db2.gz MULMUYIUSCVAGT-QGZVFWFLSA-N 0 3 333.359 2.468 20 10 EECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H]1n1ccnc1 ZINC000768463628 577556416 /nfs/dbraw/zinc/55/64/16/577556416.db2.gz KRWCBFHRWJEYED-ISTRZQFTSA-N 0 3 329.400 2.098 20 10 EECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H]1n1ccnc1 ZINC000768463628 577556417 /nfs/dbraw/zinc/55/64/17/577556417.db2.gz KRWCBFHRWJEYED-ISTRZQFTSA-N 0 3 329.400 2.098 20 10 EECDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCSc1nccs1 ZINC000759584588 577646078 /nfs/dbraw/zinc/64/60/78/577646078.db2.gz BKUFDORUIOVOJV-WCQYABFASA-N 0 3 340.518 2.407 20 10 EECDHN O=C1NC2(CO1)CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC000753587279 577790379 /nfs/dbraw/zinc/79/03/79/577790379.db2.gz QVWZZCNFAQPPSS-UHFFFAOYSA-N 0 3 341.205 2.229 20 10 EECDHN CC[C@](C)(CC(=O)OC)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749408903 577975971 /nfs/dbraw/zinc/97/59/71/577975971.db2.gz JYKFDRKMKTYNIL-LJQANCHMSA-N 0 3 349.475 2.032 20 10 EECDHN CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(C(C)C)c(C)cc1O ZINC000749967576 577985031 /nfs/dbraw/zinc/98/50/31/577985031.db2.gz AJGUPNASLVQLAR-OAHLLOKOSA-N 0 3 340.489 2.338 20 10 EECDHN CCO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891245995 676239419 /nfs/dbraw/zinc/23/94/19/676239419.db2.gz LICPXJXZQCKJTK-MSOLQXFVSA-N 0 3 333.476 2.287 20 10 EECDHN COCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891247270 676241739 /nfs/dbraw/zinc/24/17/39/676241739.db2.gz HVYHRTKGOQNYNN-QGZVFWFLSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2c(F)ccnc2F)N(C)C)cc1 ZINC000891247804 676243052 /nfs/dbraw/zinc/24/30/52/676243052.db2.gz KONVEZHUKJAYCZ-HNNXBMFYSA-N 0 3 348.397 2.459 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC23CCOCC3)N(C)C)cc1 ZINC000891253054 676249056 /nfs/dbraw/zinc/24/90/56/676249056.db2.gz PTGWFHIFTQPBAX-MSOLQXFVSA-N 0 3 345.487 2.288 20 10 EECDHN COC(=O)c1occc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000895607105 684661408 /nfs/dbraw/zinc/66/14/08/684661408.db2.gz LCQREBXWMPHINV-UHFFFAOYSA-N 0 3 343.427 2.108 20 10 EECDHN CCO/C=C\[C@@](O)(CNCc1c(O)cccc1OC)C(F)(F)F ZINC000895705939 684690882 /nfs/dbraw/zinc/69/08/82/684690882.db2.gz DARUYLUIVMVRJU-WBTMPAOCSA-N 0 3 335.322 2.334 20 10 EECDHN O=C1C[C@]2(CN1CC(F)F)CCCCN2Cc1cc(O)ccc1O ZINC001272385876 1190795572 /nfs/dbraw/zinc/79/55/72/1190795572.db2.gz GPPZJHFURGMOPY-KRWDZBQOSA-N 0 3 340.370 2.320 20 10 EECDHN COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618463 1190932987 /nfs/dbraw/zinc/93/29/87/1190932987.db2.gz ITNIDJNBRKHLGC-IBGZPJMESA-N 0 3 332.444 2.386 20 10 EECDHN COCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618463 1190932991 /nfs/dbraw/zinc/93/29/91/1190932991.db2.gz ITNIDJNBRKHLGC-IBGZPJMESA-N 0 3 332.444 2.386 20 10 EECDHN CC[C@H](C)N1C[C@]2(CCN(Cc3cccc(OC)c3O)C2)OCC1=O ZINC001272623297 1190936591 /nfs/dbraw/zinc/93/65/91/1190936591.db2.gz ZCMXPQJABXUSED-IFXJQAMLSA-N 0 3 348.443 2.003 20 10 EECDHN CCCCN1C[C@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625571 1190937345 /nfs/dbraw/zinc/93/73/45/1190937345.db2.gz MFFVXFIPRJQSDG-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN CCCCN1C[C@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625571 1190937347 /nfs/dbraw/zinc/93/73/47/1190937347.db2.gz MFFVXFIPRJQSDG-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN CO[C@@H](C)CN1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700310 1195092759 /nfs/dbraw/zinc/09/27/59/1195092759.db2.gz XCEMIYLXKOTLGP-SWLSCSKDSA-N 0 3 347.419 2.030 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@@]12CCCN2Cc1c(O)cccc1F ZINC001273265527 1197887682 /nfs/dbraw/zinc/88/76/82/1197887682.db2.gz HIMYDCVLLOXISS-SFHVURJKSA-N 0 3 345.374 2.286 20 10 EECDHN COC(=O)CCN(Cc1ccc(N(C)C)c(F)c1)C[C@@H]1CCCO1 ZINC000127294625 1200637967 /nfs/dbraw/zinc/63/79/67/1200637967.db2.gz IFRAGXHSXASYLY-HNNXBMFYSA-N 0 3 338.423 2.436 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccccc1[O-] ZINC000879648470 1201193590 /nfs/dbraw/zinc/19/35/90/1201193590.db2.gz QLSBURRUXCBAQT-HIFRSBDPSA-N 0 3 326.396 2.163 20 10 EECDHN C[C@@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000879649692 1201193909 /nfs/dbraw/zinc/19/39/09/1201193909.db2.gz SSEJLPCXYPACBW-CQSZACIVSA-N 0 3 341.411 2.459 20 10 EECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c1[O-] ZINC001274399005 1205022519 /nfs/dbraw/zinc/02/25/19/1205022519.db2.gz JPQMXDANNWGNPA-QGZVFWFLSA-N 0 3 336.819 2.325 20 10 EECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c1[O-] ZINC001274399005 1205022521 /nfs/dbraw/zinc/02/25/21/1205022521.db2.gz JPQMXDANNWGNPA-QGZVFWFLSA-N 0 3 336.819 2.325 20 10 EECDHN O=C(CCc1ccc[nH]1)N1CCC2(CN(Cc3ccccc3O)C2)C1 ZINC001275265507 1205293712 /nfs/dbraw/zinc/29/37/12/1205293712.db2.gz LPFZEJBYMOOFIZ-UHFFFAOYSA-N 0 3 339.439 2.387 20 10 EECDHN CC(C)(C)OC(=O)N1CCOC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000924899434 1206048017 /nfs/dbraw/zinc/04/80/17/1206048017.db2.gz FLKNMNYRHNABST-INIZCTEOSA-N 0 3 348.443 2.347 20 10 EECDHN Cc1ncc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000930203927 1206540959 /nfs/dbraw/zinc/54/09/59/1206540959.db2.gz GHYTYAISTVCYEQ-KRWDZBQOSA-N 0 3 342.447 2.275 20 10 EECDHN CCC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CCOC ZINC000159765716 1208500454 /nfs/dbraw/zinc/50/04/54/1208500454.db2.gz RAMCVWPVVUIEPE-HNNXBMFYSA-N 0 3 336.432 2.054 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2nc(C3CC3)no2)N(C)C)cc1 ZINC000903046715 1239611828 /nfs/dbraw/zinc/61/18/28/1239611828.db2.gz YEABMPQEDLDRTG-HNNXBMFYSA-N 0 3 343.431 2.046 20 10 EECDHN CN(CCNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000588408060 1276586848 /nfs/dbraw/zinc/58/68/48/1276586848.db2.gz FBIGFEDFDWOTCD-NTMALXAHSA-N 0 3 326.396 2.359 20 10 EECDHN CN(C)c1cc(F)c(CNC(C)(C)CN2CCOCC2)cc1F ZINC000858179093 1294035500 /nfs/dbraw/zinc/03/55/00/1294035500.db2.gz YDKWCPIAEQVYDC-UHFFFAOYSA-N 0 3 327.419 2.231 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)cccc21 ZINC001218145543 1297584080 /nfs/dbraw/zinc/58/40/80/1297584080.db2.gz GPLPVILPCODQGX-CGEVSNMPSA-N 0 3 335.359 2.154 20 10 EECDHN Nc1ccc(NC(=O)Nc2ccc(NC(=O)C3(N)CC3)cc2)cc1 ZINC001219493831 1298042448 /nfs/dbraw/zinc/04/24/48/1298042448.db2.gz ZFNGYZPWRKXXJC-UHFFFAOYSA-N 0 3 325.372 2.343 20 10 EECDHN Cc1cccc(CN2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001231590795 1303858210 /nfs/dbraw/zinc/85/82/10/1303858210.db2.gz HZVAWBUEGDGDLQ-HUUCEWRRSA-N 0 3 336.432 2.161 20 10 EECDHN COc1cc(C)c(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c([O-])c1 ZINC001236815056 1305687068 /nfs/dbraw/zinc/68/70/68/1305687068.db2.gz HMHAMDIKGBLKQP-UHFFFAOYSA-N 0 3 347.459 2.479 20 10 EECDHN Cc1cc([O-])c(C[N@@H+](C)CCN2CCOCC2)cc1Br ZINC001237678350 1306043034 /nfs/dbraw/zinc/04/30/34/1306043034.db2.gz YCWSDJJYVNBFCO-UHFFFAOYSA-N 0 3 343.265 2.227 20 10 EECDHN Cc1cc([O-])c(C[N@H+](C)CCN2CCOCC2)cc1Br ZINC001237678350 1306043021 /nfs/dbraw/zinc/04/30/21/1306043021.db2.gz YCWSDJJYVNBFCO-UHFFFAOYSA-N 0 3 343.265 2.227 20 10 EECDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cc(F)cc(C)c3[O-])CC[C@@H]21 ZINC001238061279 1306205226 /nfs/dbraw/zinc/20/52/26/1306205226.db2.gz LCHJBNUNXUJCKN-IRXDYDNUSA-N 0 3 336.407 2.051 20 10 EECDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3cc(F)cc(C)c3[O-])CC[C@@H]21 ZINC001238061279 1306205229 /nfs/dbraw/zinc/20/52/29/1306205229.db2.gz LCHJBNUNXUJCKN-IRXDYDNUSA-N 0 3 336.407 2.051 20 10 EECDHN CN(C)c1cc(F)c(CN[C@@H]2CCN(c3cnn(C)c3)C2)cc1F ZINC001118798826 1308943270 /nfs/dbraw/zinc/94/32/70/1308943270.db2.gz HXJDDYBVJRLHDT-CYBMUJFWSA-N 0 3 335.402 2.133 20 10 EECDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)CN1 ZINC000841706483 1315601062 /nfs/dbraw/zinc/60/10/62/1315601062.db2.gz GMVYNFLMEIKTAC-HUUCEWRRSA-N 0 3 348.516 2.132 20 10 EECDHN CN1CCO[C@H]2CN(Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@H]21 ZINC001249230760 1317029546 /nfs/dbraw/zinc/02/95/46/1317029546.db2.gz STHNFHHVXWEHPH-WBVHZDCISA-N 0 3 330.428 2.091 20 10 EECDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2)CC1=O ZINC001254240694 1318023031 /nfs/dbraw/zinc/02/30/31/1318023031.db2.gz IPHPDJMZIKYENY-LBPRGKRZSA-N 0 3 336.388 2.114 20 10 EECDHN CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552940 1321911196 /nfs/dbraw/zinc/91/11/96/1321911196.db2.gz VWFQOFKTAMZTSK-ZACQAIPSSA-N 0 3 332.444 2.001 20 10 EECDHN CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552940 1321911197 /nfs/dbraw/zinc/91/11/97/1321911197.db2.gz VWFQOFKTAMZTSK-ZACQAIPSSA-N 0 3 332.444 2.001 20 10 EECDHN COc1cccc(CN2CCC(Oc3ncc(F)cn3)CC2)c1O ZINC001203601905 1321920890 /nfs/dbraw/zinc/92/08/90/1321920890.db2.gz QFXOMVZNVXJZPC-UHFFFAOYSA-N 0 3 333.363 2.373 20 10 EECDHN COc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c([O-])c1 ZINC001203623585 1321925721 /nfs/dbraw/zinc/92/57/21/1321925721.db2.gz ULOIDBDWYJPLNQ-IRXDYDNUSA-N 0 3 339.439 2.360 20 10 EECDHN Oc1ccc(CN2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)cc1O ZINC001203876410 1321980054 /nfs/dbraw/zinc/98/00/54/1321980054.db2.gz DBGSTDKLLZJCGD-KBPBESRZSA-N 0 3 331.441 2.118 20 10 EECDHN O=C1C[C@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)CN1c1ccccn1 ZINC001204275653 1322101282 /nfs/dbraw/zinc/10/12/82/1322101282.db2.gz XTQLNQAHXYYAKA-IBGZPJMESA-N 0 3 339.395 2.122 20 10 EECDHN O=C1C[C@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)CN1c1ccccn1 ZINC001204275653 1322101287 /nfs/dbraw/zinc/10/12/87/1322101287.db2.gz XTQLNQAHXYYAKA-IBGZPJMESA-N 0 3 339.395 2.122 20 10 EECDHN C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(I)cc1[O-] ZINC001205082276 1322279670 /nfs/dbraw/zinc/27/96/70/1322279670.db2.gz FFSNNOFQRUCNHJ-CABZTGNLSA-N 0 3 346.212 2.308 20 10 EECDHN CC[C@H]([NH2+]C[C@@H]1CNCCO1)c1cc(Br)ccc1[O-] ZINC000817982395 785130448 /nfs/dbraw/zinc/13/04/48/785130448.db2.gz DFDXCOVBUGGERI-AAEUAGOBSA-N 0 3 329.238 2.184 20 10 EECDHN COc1cccc([C@H](C)N[C@@H](CCSC)C(=O)N(C)OC)c1O ZINC000846153898 790065147 /nfs/dbraw/zinc/06/51/47/790065147.db2.gz MKQXMPXFOQLTJO-AAEUAGOBSA-N 0 3 342.461 2.193 20 10 EECDHN C[NH+](C)C1(C)CN(Cc2ccc(I)cc2[O-])C1 ZINC001232979977 792368526 /nfs/dbraw/zinc/36/85/26/792368526.db2.gz LNKTUGQYMOMLLR-UHFFFAOYSA-N 0 3 346.212 2.133 20 10 EECDHN NC(=O)COc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921793069 796020496 /nfs/dbraw/zinc/02/04/96/796020496.db2.gz SSBCJRGDTFWHCQ-UHFFFAOYSA-N 0 3 326.396 2.166 20 10 EECDHN COc1cc([O-])c(CN2C[C@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC001205150550 796301201 /nfs/dbraw/zinc/30/12/01/796301201.db2.gz FEQRRQRCTDAHLI-VHSXEESVSA-N 0 3 329.238 2.190 20 10 EECDHN CS(=O)(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203562360 801536266 /nfs/dbraw/zinc/53/62/66/801536266.db2.gz JEUKDYIIOTVTAP-UHFFFAOYSA-N 0 3 338.473 2.030 20 10 EECDHN COCCN(C)c1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cn1 ZINC000793389695 810313149 /nfs/dbraw/zinc/31/31/49/810313149.db2.gz LVWAOYWBUXJNAB-UHFFFAOYSA-N 0 3 331.416 2.168 20 10 EECDHN COc1cccc(CNc2ccc(C(=O)NCCN(C)C)cc2)c1O ZINC000527761275 317258113 /nfs/dbraw/zinc/25/81/13/317258113.db2.gz CCWIMNPNUWQIGI-UHFFFAOYSA-N 0 3 343.427 2.304 20 10 EECDHN C[C@@H](NC1CC1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000296407244 465183590 /nfs/dbraw/zinc/18/35/90/465183590.db2.gz LVTDJHMFSWZHMY-BEFAXECRSA-N 0 3 345.487 2.401 20 10 EECDHN CN(C)c1ccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000092009858 462917188 /nfs/dbraw/zinc/91/71/88/462917188.db2.gz QSJVYHOJIPTCIH-SJLPKXTDSA-N 0 3 328.460 2.432 20 10 EECDHN CN(C)c1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000092009861 462917385 /nfs/dbraw/zinc/91/73/85/462917385.db2.gz QSJVYHOJIPTCIH-FUHWJXTLSA-N 0 3 328.460 2.432 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000092012042 462918841 /nfs/dbraw/zinc/91/88/41/462918841.db2.gz BZCTUKAABCJPTQ-KSSFIOAISA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000092012042 462918844 /nfs/dbraw/zinc/91/88/44/462918844.db2.gz BZCTUKAABCJPTQ-KSSFIOAISA-N 0 3 345.443 2.470 20 10 EECDHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000155700499 462931020 /nfs/dbraw/zinc/93/10/20/462931020.db2.gz YAMLWFUGTMOEJI-IBGZPJMESA-N 0 3 340.471 2.443 20 10 EECDHN C[C@H](CN1CCCC1=O)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178498462 463911233 /nfs/dbraw/zinc/91/12/33/463911233.db2.gz JZJWOTYSMLVGEX-HUUCEWRRSA-N 0 3 349.450 2.324 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c([O-])c1 ZINC000285553873 464606511 /nfs/dbraw/zinc/60/65/11/464606511.db2.gz FFEXEQCRBJUILK-XYTVBORESA-N 0 3 345.487 2.435 20 10 EECDHN COc1cc(O)c(CNC2(C(=O)N(C)C)CCCCC2)cc1OC ZINC000295107640 464707837 /nfs/dbraw/zinc/70/78/37/464707837.db2.gz VSMOGQXRRVLJQV-UHFFFAOYSA-N 0 3 336.432 2.290 20 10 EECDHN COc1cc([O-])c(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc1OC ZINC000295107640 464707844 /nfs/dbraw/zinc/70/78/44/464707844.db2.gz VSMOGQXRRVLJQV-UHFFFAOYSA-N 0 3 336.432 2.290 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1[O-] ZINC000282169397 464720957 /nfs/dbraw/zinc/72/09/57/464720957.db2.gz DZHJZUXOXRBUOE-UHFFFAOYSA-N 0 3 341.883 2.170 20 10 EECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1F ZINC000282870452 464983995 /nfs/dbraw/zinc/98/39/95/464983995.db2.gz ZNZDJTJDMIXZBZ-KRWDZBQOSA-N 0 3 337.439 2.042 20 10 EECDHN CCN1CCN(c2ccc(CNCc3c(C)cnn3C)cc2F)CC1 ZINC000286742374 465019278 /nfs/dbraw/zinc/01/92/78/465019278.db2.gz YIFFBIBCEGMKLG-UHFFFAOYSA-N 0 3 345.466 2.299 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000368131883 466581793 /nfs/dbraw/zinc/58/17/93/466581793.db2.gz CKMOQRWXVVPYJW-JTQLQIEISA-N 0 3 327.222 2.160 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000368131883 466581799 /nfs/dbraw/zinc/58/17/99/466581799.db2.gz CKMOQRWXVVPYJW-JTQLQIEISA-N 0 3 327.222 2.160 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]CC1(N3CCCCC3)CCOCC1)OCO2 ZINC000111403738 534449780 /nfs/dbraw/zinc/44/97/80/534449780.db2.gz XKYSMEZHCDSCCX-UHFFFAOYSA-N 0 3 348.443 2.246 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1[C@H](C)CCC[C@H]1C)cc2=O ZINC000104078680 528319630 /nfs/dbraw/zinc/31/96/30/528319630.db2.gz GQZXQHJIXDBAFA-VXGBXAGGSA-N 0 3 332.404 2.375 20 10 EECDHN CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000092304163 528373420 /nfs/dbraw/zinc/37/34/20/528373420.db2.gz ZNSSEULKCDSJDP-AWEZNQCLSA-N 0 3 334.441 2.059 20 10 EECDHN CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000092304163 528373426 /nfs/dbraw/zinc/37/34/26/528373426.db2.gz ZNSSEULKCDSJDP-AWEZNQCLSA-N 0 3 334.441 2.059 20 10 EECDHN CCN1CCN(C[C@@H](C)C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113335763 529147044 /nfs/dbraw/zinc/14/70/44/529147044.db2.gz LVPBEVLPPWFPSS-AWEZNQCLSA-N 0 3 325.884 2.409 20 10 EECDHN CCN1CCC[C@@H]1CNC(=S)N[C@@H](C)c1cc(OC)ccc1O ZINC000728792522 576529701 /nfs/dbraw/zinc/52/97/01/576529701.db2.gz LFCQXBADIYBAOS-QWHCGFSZSA-N 0 3 337.489 2.410 20 10 EECDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000776869273 577469091 /nfs/dbraw/zinc/46/90/91/577469091.db2.gz WTBZYZUXNGWTSD-UZMCECQYSA-N 0 3 339.407 2.490 20 10 EECDHN CC(C)C(=O)NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768326226 577553885 /nfs/dbraw/zinc/55/38/85/577553885.db2.gz GWDTWLPUCMSRKB-UHFFFAOYSA-N 0 3 345.487 2.260 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1OC ZINC000768447976 577555880 /nfs/dbraw/zinc/55/58/80/577555880.db2.gz SMMGSINSSPUFQZ-AWEZNQCLSA-N 0 3 348.443 2.244 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1OC ZINC000768447976 577555881 /nfs/dbraw/zinc/55/58/81/577555881.db2.gz SMMGSINSSPUFQZ-AWEZNQCLSA-N 0 3 348.443 2.244 20 10 EECDHN Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465342 577556383 /nfs/dbraw/zinc/55/63/83/577556383.db2.gz ZQUPLAQYNQRLJD-DOTOQJQBSA-N 0 3 329.400 2.197 20 10 EECDHN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465342 577556384 /nfs/dbraw/zinc/55/63/84/577556384.db2.gz ZQUPLAQYNQRLJD-DOTOQJQBSA-N 0 3 329.400 2.197 20 10 EECDHN CC(C)OC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000770687161 577601764 /nfs/dbraw/zinc/60/17/64/577601764.db2.gz CVTIVRBJRAUJQO-FQEVSTJZSA-N 0 3 347.503 2.064 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2nn(C)cc2Cl)N(C)C)cc1 ZINC000891245799 676239125 /nfs/dbraw/zinc/23/91/25/676239125.db2.gz JUCAFVSUFGPBSX-HNNXBMFYSA-N 0 3 349.866 2.172 20 10 EECDHN CCO[C@@H]1C[C@](N)(C(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000326085652 676540398 /nfs/dbraw/zinc/54/03/98/676540398.db2.gz YREDVHRBKMBHIK-APWZRJJASA-N 0 3 333.476 2.244 20 10 EECDHN CSCCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899724329 693847203 /nfs/dbraw/zinc/84/72/03/693847203.db2.gz MRGVZSDHOKOIAD-OAHLLOKOSA-N 0 3 340.562 2.182 20 10 EECDHN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185007338 1192520256 /nfs/dbraw/zinc/52/02/56/1192520256.db2.gz XKWNBFVNXBUKLV-ZDUSSCGKSA-N 0 3 337.439 2.173 20 10 EECDHN CC[C@@H](C)N1C[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2)OCC1=O ZINC001272916796 1193602597 /nfs/dbraw/zinc/60/25/97/1193602597.db2.gz MMTPNFUBQGXTMX-UZLBHIALSA-N 0 3 345.487 2.354 20 10 EECDHN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccccc1O ZINC001272618101 1190933001 /nfs/dbraw/zinc/93/30/01/1190933001.db2.gz BKQJZZNCISUELK-AUUYWEPGSA-N 0 3 330.428 2.327 20 10 EECDHN COc1ccc(N2CCC(NC(=O)CN(C)C3CCC3)CC2)cc1 ZINC000863862937 1197905422 /nfs/dbraw/zinc/90/54/22/1197905422.db2.gz CRSZOSMNCCGVFA-UHFFFAOYSA-N 0 3 331.460 2.265 20 10 EECDHN CCCOc1ccc(CN[C@H]2CCCN(S(C)(=O)=O)C2)cc1C ZINC000873025993 1198477549 /nfs/dbraw/zinc/47/75/49/1198477549.db2.gz GWCNWLJBUYMWBZ-INIZCTEOSA-N 0 3 340.489 2.297 20 10 EECDHN CCN(CC)c1ccc(CN(C)S(=O)(=O)CCCN(C)C)cc1 ZINC000866452287 1201520829 /nfs/dbraw/zinc/52/08/29/1201520829.db2.gz BPSVSBHBYCHRSG-UHFFFAOYSA-N 0 3 341.521 2.246 20 10 EECDHN COc1ccc(O)c(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c1 ZINC001275278330 1205296913 /nfs/dbraw/zinc/29/69/13/1205296913.db2.gz HZJICDFFJWVDSG-CALCHBBNSA-N 0 3 332.444 2.228 20 10 EECDHN CN(C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000779489657 1210395626 /nfs/dbraw/zinc/39/56/26/1210395626.db2.gz RGVBPXPNGJRMGB-CCCPALQASA-N 0 3 340.423 2.400 20 10 EECDHN CCS(=O)(=O)NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000193386708 1210822526 /nfs/dbraw/zinc/82/25/26/1210822526.db2.gz VJTDVMCMVNJUBX-UHFFFAOYSA-N 0 3 348.468 2.449 20 10 EECDHN COCC[C@@H](C)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273664912 1226988948 /nfs/dbraw/zinc/98/89/48/1226988948.db2.gz YJMVMUQTOIOWJI-CQSZACIVSA-N 0 3 338.448 2.259 20 10 EECDHN CCC[C@]1(C)NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185586 1234073888 /nfs/dbraw/zinc/07/38/88/1234073888.db2.gz OXFLFNSIGNUCIB-APWZRJJASA-N 0 3 346.475 2.466 20 10 EECDHN CC(C)C[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185677 1234073968 /nfs/dbraw/zinc/07/39/68/1234073968.db2.gz QTWHVSWCXQDXNY-IRXDYDNUSA-N 0 3 346.475 2.322 20 10 EECDHN CC[C@H](NCCS(=O)(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000903291159 1240188696 /nfs/dbraw/zinc/18/86/96/1240188696.db2.gz QDFJPJSNAMIEMY-KRWDZBQOSA-N 0 3 339.505 2.219 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1[O-] ZINC000827549962 1248428099 /nfs/dbraw/zinc/42/80/99/1248428099.db2.gz ZGPCJDBFDOCZEY-HNNXBMFYSA-N 0 3 340.851 2.397 20 10 EECDHN COc1cc(CNC[C@H](C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850227565 1277103629 /nfs/dbraw/zinc/10/36/29/1277103629.db2.gz VFOKVNUHFKXODG-NSHDSACASA-N 0 3 329.462 2.221 20 10 EECDHN COC(=O)[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)CCN1C ZINC001234998295 1305079604 /nfs/dbraw/zinc/07/96/04/1305079604.db2.gz JCFGHDKFXCHGDL-GOSISDBHSA-N 0 3 340.423 2.348 20 10 EECDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](C)N1CCOCC1 ZINC000858129682 1294016132 /nfs/dbraw/zinc/01/61/32/1294016132.db2.gz OOOFOZSWGHTMRB-STQMWFEESA-N 0 3 327.419 2.230 20 10 EECDHN CN(C)c1cc(F)c(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1F ZINC000862381060 1295817049 /nfs/dbraw/zinc/81/70/49/1295817049.db2.gz TXLSEYCSDGUDIV-MSOLQXFVSA-N 0 3 340.414 2.441 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(OC3CC4(C[NH2+]C4)C3)cccc21 ZINC001218053790 1297559489 /nfs/dbraw/zinc/55/94/89/1297559489.db2.gz FAZHITPOEZAYHS-UHFFFAOYSA-N 0 3 335.359 2.298 20 10 EECDHN CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212583 1298305355 /nfs/dbraw/zinc/30/53/55/1298305355.db2.gz PAYJGRCMFSLPHP-WHOFXGATSA-N 0 3 345.830 2.454 20 10 EECDHN COc1ccc(N2CCC3(CCN(CC(=O)N(C)C)C3)CC2)cc1F ZINC001277010680 1300803472 /nfs/dbraw/zinc/80/34/72/1300803472.db2.gz WBQFDSOUSIFFGX-UHFFFAOYSA-N 0 3 349.450 2.215 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC[C@]2(CCCC(=O)N2)C1 ZINC001231852196 1303930449 /nfs/dbraw/zinc/93/04/49/1303930449.db2.gz HZFDZWHOGSIFTO-LJQANCHMSA-N 0 3 331.460 2.396 20 10 EECDHN CC(=O)N[C@H]1CCCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233754310 1304577768 /nfs/dbraw/zinc/57/77/68/1304577768.db2.gz CZCCSHFWYSEPSE-LBPRGKRZSA-N 0 3 332.322 2.391 20 10 EECDHN O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161432256 1320498818 /nfs/dbraw/zinc/49/88/18/1320498818.db2.gz AJHYDDANXSXYEA-UHFFFAOYSA-N 0 3 326.396 2.492 20 10 EECDHN COc1ccccc1CCNC(=O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834789632 1314877503 /nfs/dbraw/zinc/87/75/03/1314877503.db2.gz GZMDKCMEHRKHBT-INIZCTEOSA-N 0 3 340.423 2.337 20 10 EECDHN C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140467695 1314893225 /nfs/dbraw/zinc/89/32/25/1314893225.db2.gz VMLIWEVRGRUAQH-CYBMUJFWSA-N 0 3 334.851 2.436 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)N(CCO)[C@@H](C)C3)c2c1 ZINC000840136245 1315304479 /nfs/dbraw/zinc/30/44/79/1315304479.db2.gz ZUCLCXTXRHRJGG-GASCZTMLSA-N 0 3 344.455 2.441 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)N(CCO)[C@@H](C)C3)c2c1 ZINC000840136245 1315304481 /nfs/dbraw/zinc/30/44/81/1315304481.db2.gz ZUCLCXTXRHRJGG-GASCZTMLSA-N 0 3 344.455 2.441 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC000840957579 1315445859 /nfs/dbraw/zinc/44/58/59/1315445859.db2.gz LAGZMGOSCCJNAM-NSHDSACASA-N 0 3 341.249 2.373 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC000840957579 1315445861 /nfs/dbraw/zinc/44/58/61/1315445861.db2.gz LAGZMGOSCCJNAM-NSHDSACASA-N 0 3 341.249 2.373 20 10 EECDHN COc1c([O-])c(CN2C[C@@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000841106388 1315477219 /nfs/dbraw/zinc/47/72/19/1315477219.db2.gz LLTKEMZUPALFTE-ZDUSSCGKSA-N 0 3 329.356 2.199 20 10 EECDHN COc1ccc(CNC(=O)Nc2ccc3c(c2)CNCCO3)c(O)c1 ZINC000841330237 1315532516 /nfs/dbraw/zinc/53/25/16/1315532516.db2.gz BEXOBOZRHUGYGZ-UHFFFAOYSA-N 0 3 343.383 2.205 20 10 EECDHN COc1cc(NC(=O)c2cccc(O)c2[O-])ccc1OCC[NH+](C)C ZINC000841466712 1315559731 /nfs/dbraw/zinc/55/97/31/1315559731.db2.gz GSSGLHFLRCFTTM-UHFFFAOYSA-N 0 3 346.383 2.299 20 10 EECDHN CN(Cc1ccc(NCCc2cc(O)c(O)cc2O)nc1)C1CC1 ZINC001157245030 1318515948 /nfs/dbraw/zinc/51/59/48/1318515948.db2.gz GVKUEPCXEZBOPX-UHFFFAOYSA-N 0 3 329.400 2.447 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001204273264 1322099212 /nfs/dbraw/zinc/09/92/12/1322099212.db2.gz MEAQFHWUWSBYGG-LJQANCHMSA-N 0 3 340.427 2.380 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001204273264 1322099219 /nfs/dbraw/zinc/09/92/19/1322099219.db2.gz MEAQFHWUWSBYGG-LJQANCHMSA-N 0 3 340.427 2.380 20 10 EECDHN CCc1cccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC000848884800 1338792192 /nfs/dbraw/zinc/79/21/92/1338792192.db2.gz FXYWXZSSEUENCR-KRWDZBQOSA-N 0 3 332.444 2.168 20 10 EECDHN C[C@H](NC(=O)Nc1ccnn1CCN(C)C)c1ccc(N(C)C)cc1 ZINC000836700076 1372743392 /nfs/dbraw/zinc/74/33/92/1372743392.db2.gz MKJDRXGYICYXSE-AWEZNQCLSA-N 0 3 344.463 2.393 20 10 EECDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000155599557 785972251 /nfs/dbraw/zinc/97/22/51/785972251.db2.gz RAVXFGFAMCHFFM-QGZVFWFLSA-N 0 3 349.450 2.010 20 10 EECDHN CCN1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])CC1=O ZINC000824886579 788352127 /nfs/dbraw/zinc/35/21/27/788352127.db2.gz DEQYZOUGIXXTCY-LBPRGKRZSA-N 0 3 327.222 2.174 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CCO[C@@H]2CCOC2)c1[O-] ZINC000922939030 788362825 /nfs/dbraw/zinc/36/28/25/788362825.db2.gz JZOWGNKNQFCIOU-GFCCVEGCSA-N 0 3 346.221 2.058 20 10 EECDHN COCC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000172072181 791533797 /nfs/dbraw/zinc/53/37/97/791533797.db2.gz KTIXRRBVKTXMIT-AWEZNQCLSA-N 0 3 348.237 2.040 20 10 EECDHN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCN1C1CC1 ZINC000787053921 806991555 /nfs/dbraw/zinc/99/15/55/806991555.db2.gz QXIPOODMCWPZFL-SFHVURJKSA-N 0 3 345.512 2.483 20 10 EECDHN O[C@H](CNCc1ccc2c(c1)CCO2)CN1CCc2ccccc2C1 ZINC000054174624 214222442 /nfs/dbraw/zinc/22/24/42/214222442.db2.gz OTTJRWDOEIMTHP-HXUWFJFHSA-N 0 3 338.451 2.130 20 10 EECDHN COc1cc(O)c(CN2CCS[C@@H]3COCC[C@H]32)cc1OC ZINC000271106369 464280462 /nfs/dbraw/zinc/28/04/62/464280462.db2.gz RTCCPOSKGFIKJR-MLGOLLRUSA-N 0 3 325.430 2.116 20 10 EECDHN COc1cc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H](N(C)C)C2)cc1OC ZINC000271112273 464281203 /nfs/dbraw/zinc/28/12/03/464281203.db2.gz QAERNCXEYPDWJP-IUODEOHRSA-N 0 3 341.433 2.094 20 10 EECDHN COc1cccc(CN2CCC([C@H](O)c3nccn3C)CC2)c1O ZINC000093454888 463037937 /nfs/dbraw/zinc/03/79/37/463037937.db2.gz FXACLEDBHNVTNY-KRWDZBQOSA-N 0 3 331.416 2.080 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000278236161 463959396 /nfs/dbraw/zinc/95/93/96/463959396.db2.gz NFUTWAUUZUGXQU-CQSZACIVSA-N 0 3 335.404 2.369 20 10 EECDHN COc1c([O-])c(C[N@H+]2CCC[C@@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000278236161 463959402 /nfs/dbraw/zinc/95/94/02/463959402.db2.gz NFUTWAUUZUGXQU-CQSZACIVSA-N 0 3 335.404 2.369 20 10 EECDHN COc1ccc([O-])c(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(O)c2)c1 ZINC000289426978 464077944 /nfs/dbraw/zinc/07/79/44/464077944.db2.gz JXTYZTCHPAGMCS-CQSZACIVSA-N 0 3 347.411 2.056 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCS(C)(=O)=O)c1[O-] ZINC000187109768 464098997 /nfs/dbraw/zinc/09/89/97/464098997.db2.gz JXXCULLSKVNIRM-VIFPVBQESA-N 0 3 336.251 2.158 20 10 EECDHN COc1cccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c1[O-] ZINC000237383228 464311366 /nfs/dbraw/zinc/31/13/66/464311366.db2.gz NMDPTQNCKBJHLW-INIZCTEOSA-N 0 3 346.427 2.465 20 10 EECDHN CC[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(C)cc1[O-] ZINC000281249626 464386862 /nfs/dbraw/zinc/38/68/62/464386862.db2.gz VVDUBSFENFVPJI-CJNGLKHVSA-N 0 3 342.443 2.299 20 10 EECDHN C[C@H]1CN(c2ccc(CNC(=O)/C=C/CN(C)C)cc2F)C[C@H](C)O1 ZINC000264648347 464408179 /nfs/dbraw/zinc/40/81/79/464408179.db2.gz RXCFDTOKKOMNFK-WHJWBVKISA-N 0 3 349.450 2.173 20 10 EECDHN Cc1cnn(C)c1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000285260082 464502838 /nfs/dbraw/zinc/50/28/38/464502838.db2.gz BDGPKKKHBFMNHN-UHFFFAOYSA-N 0 3 328.460 2.227 20 10 EECDHN C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273361871 464712095 /nfs/dbraw/zinc/71/20/95/464712095.db2.gz AOCFMFFIFYQESF-KGLIPLIRSA-N 0 3 349.431 2.452 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c([O-])c1C ZINC000273565217 464719727 /nfs/dbraw/zinc/71/97/27/464719727.db2.gz JEMMHZZYYVYHOM-CQSZACIVSA-N 0 3 340.489 2.331 20 10 EECDHN Cc1ccc([O-])c(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000361535838 466083611 /nfs/dbraw/zinc/08/36/11/466083611.db2.gz NMCOIIRXTSVCRK-UHFFFAOYSA-N 0 3 345.443 2.435 20 10 EECDHN CN(C)c1ccc(CN[C@@H]2CCCc3c2cnn3CCO)cc1F ZINC000363410085 466385539 /nfs/dbraw/zinc/38/55/39/466385539.db2.gz CBFCELMKSINRGT-MRXNPFEDSA-N 0 3 332.423 2.248 20 10 EECDHN COc1ccc(O)c(CN2CCC(NC(=O)c3cc(C)on3)CC2)c1 ZINC000373224390 466732723 /nfs/dbraw/zinc/73/27/23/466732723.db2.gz SYSVEGCHJQCJAZ-UHFFFAOYSA-N 0 3 345.399 2.092 20 10 EECDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(C)cc1[O-] ZINC000373531959 466835291 /nfs/dbraw/zinc/83/52/91/466835291.db2.gz SYZLDVDDNBDHTH-RFUYNDQBSA-N 0 3 345.443 2.462 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378443316 467302579 /nfs/dbraw/zinc/30/25/79/467302579.db2.gz RZCBCBZEJUNZRE-YJBOKZPZSA-N 0 3 331.416 2.222 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378443316 467302584 /nfs/dbraw/zinc/30/25/84/467302584.db2.gz RZCBCBZEJUNZRE-YJBOKZPZSA-N 0 3 331.416 2.222 20 10 EECDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)[C@@H]2C1 ZINC000272570979 490714429 /nfs/dbraw/zinc/71/44/29/490714429.db2.gz LDPWSVMSSWMBLX-IEBWSBKVSA-N 0 3 340.471 2.298 20 10 EECDHN CCNS(=O)(=O)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000772979244 577308539 /nfs/dbraw/zinc/30/85/39/577308539.db2.gz PRFVFUYPNPUHJV-HNNXBMFYSA-N 0 3 339.505 2.267 20 10 EECDHN CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000773328844 577334016 /nfs/dbraw/zinc/33/40/16/577334016.db2.gz LRKLLMDBCQEKRR-LPHOPBHVSA-N 0 3 349.427 2.229 20 10 EECDHN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000773328844 577334018 /nfs/dbraw/zinc/33/40/18/577334018.db2.gz LRKLLMDBCQEKRR-LPHOPBHVSA-N 0 3 349.427 2.229 20 10 EECDHN Cc1cc(C(=O)NOC2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000773550115 577349843 /nfs/dbraw/zinc/34/98/43/577349843.db2.gz OWQJPMRVQJABFY-UHFFFAOYSA-N 0 3 328.416 2.245 20 10 EECDHN C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccc(N(C)C)cc1 ZINC000775641592 577441589 /nfs/dbraw/zinc/44/15/89/577441589.db2.gz RGVPMDPZDSJSFC-AWEZNQCLSA-N 0 3 344.463 2.393 20 10 EECDHN CC(C)CN1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775646630 577441721 /nfs/dbraw/zinc/44/17/21/577441721.db2.gz LIIOJDJFFCJOBV-UHFFFAOYSA-N 0 3 330.520 2.212 20 10 EECDHN C[C@H](N[C@@H](CO)CC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000760036207 577656150 /nfs/dbraw/zinc/65/61/50/577656150.db2.gz DFRUTHYSOMTULS-WCQYABFASA-N 0 3 332.366 2.329 20 10 EECDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000752482428 577771630 /nfs/dbraw/zinc/77/16/30/577771630.db2.gz QXTPVRSXDCCMQX-FQEVSTJZSA-N 0 3 343.471 2.445 20 10 EECDHN C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(F)ccc1[O-] ZINC000756836523 577850845 /nfs/dbraw/zinc/85/08/45/577850845.db2.gz BGAIZFXTMIYRAZ-PGUXBMHVSA-N 0 3 332.379 2.109 20 10 EECDHN CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000757706616 577862922 /nfs/dbraw/zinc/86/29/22/577862922.db2.gz XOIABRNEMQAJJU-AWEZNQCLSA-N 0 3 340.489 2.413 20 10 EECDHN O=S1(=O)CCCN1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000746921958 577936111 /nfs/dbraw/zinc/93/61/11/577936111.db2.gz XUPQPYYEBOJAOM-UHFFFAOYSA-N 0 3 338.473 2.172 20 10 EECDHN O=S1(=O)CCCN1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000746921958 577936112 /nfs/dbraw/zinc/93/61/12/577936112.db2.gz XUPQPYYEBOJAOM-UHFFFAOYSA-N 0 3 338.473 2.172 20 10 EECDHN CCOc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC000891246305 676240274 /nfs/dbraw/zinc/24/02/74/676240274.db2.gz ABWJTCFNPFILHT-INIZCTEOSA-N 0 3 346.431 2.172 20 10 EECDHN CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC000891248648 676242833 /nfs/dbraw/zinc/24/28/33/676242833.db2.gz ZQDYNZLUWWZHKM-MSOLQXFVSA-N 0 3 333.476 2.287 20 10 EECDHN COC(=O)C[C@@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250591 676245468 /nfs/dbraw/zinc/24/54/68/676245468.db2.gz XTAXHOOEEJLXEO-WMLDXEAASA-N 0 3 349.475 2.061 20 10 EECDHN C[C@@H]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000895287252 684449508 /nfs/dbraw/zinc/44/95/08/684449508.db2.gz XWGQVALQXZCPKG-JLSDUUJJSA-N 0 3 348.491 2.222 20 10 EECDHN C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895332481 684502594 /nfs/dbraw/zinc/50/25/94/684502594.db2.gz WIMNEZRNLCQNOW-FXAWDEMLSA-N 0 3 343.423 2.289 20 10 EECDHN C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895332481 684502596 /nfs/dbraw/zinc/50/25/96/684502596.db2.gz WIMNEZRNLCQNOW-FXAWDEMLSA-N 0 3 343.423 2.289 20 10 EECDHN CN1CCN(c2ccc(CNCc3ccc(Cl)nn3)cc2)CC1 ZINC000895608129 684661611 /nfs/dbraw/zinc/66/16/11/684661611.db2.gz XYNXBLQUCIZAAT-UHFFFAOYSA-N 0 3 331.851 2.172 20 10 EECDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)N(C)C ZINC000123512947 684798805 /nfs/dbraw/zinc/79/88/05/684798805.db2.gz VLSHEWCMPBBOQE-YJBOKZPZSA-N 0 3 333.476 2.287 20 10 EECDHN C[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCCO1 ZINC000899100698 693612643 /nfs/dbraw/zinc/61/26/43/693612643.db2.gz BRKLZZCFMOLLBT-YJBOKZPZSA-N 0 3 348.491 2.176 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618702 1190932872 /nfs/dbraw/zinc/93/28/72/1190932872.db2.gz NMHFMAMZLDAVSQ-GOSISDBHSA-N 0 3 327.384 2.005 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618702 1190932875 /nfs/dbraw/zinc/93/28/75/1190932875.db2.gz NMHFMAMZLDAVSQ-GOSISDBHSA-N 0 3 327.384 2.005 20 10 EECDHN Cc1c(CN2CCC[C@]3(CC(=O)N(C)C3=O)C2)c2ccccc2n1C ZINC001273310795 1198021282 /nfs/dbraw/zinc/02/12/82/1198021282.db2.gz ZCTNGFMMZFFCPR-FQEVSTJZSA-N 0 3 339.439 2.458 20 10 EECDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)NC(C)(C)C ZINC000876974169 1199834236 /nfs/dbraw/zinc/83/42/36/1199834236.db2.gz YZEMVXBDURPFMX-CQSZACIVSA-N 0 3 333.476 2.041 20 10 EECDHN CNC(=O)C1(NCc2ccc(OC)c(Cn3cccn3)c2)CCCC1 ZINC000877425312 1199927557 /nfs/dbraw/zinc/92/75/57/1199927557.db2.gz GBAZVPNAQPNKBK-UHFFFAOYSA-N 0 3 342.443 2.088 20 10 EECDHN COc1ccc(CN[C@@H]2CCCC23OCCO3)cc1Cn1cccn1 ZINC000883178015 1202026383 /nfs/dbraw/zinc/02/63/83/1202026383.db2.gz NNFLJYZZXWXLFT-GOSISDBHSA-N 0 3 343.427 2.325 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001274303478 1204991314 /nfs/dbraw/zinc/99/13/14/1204991314.db2.gz JWHQIKAWFFXZAN-IBGZPJMESA-N 0 3 341.411 2.313 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001274303478 1204991316 /nfs/dbraw/zinc/99/13/16/1204991316.db2.gz JWHQIKAWFFXZAN-IBGZPJMESA-N 0 3 341.411 2.313 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@]3(CCN([C@@H](C)C(C)=O)C3=O)C2)c([O-])c1 ZINC001274652970 1205117308 /nfs/dbraw/zinc/11/73/08/1205117308.db2.gz FFBQGRMCRIAKHD-XOBRGWDASA-N 0 3 344.455 2.357 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@]3(CCN([C@@H](C)C(C)=O)C3=O)C2)c([O-])c1 ZINC001274652970 1205117312 /nfs/dbraw/zinc/11/73/12/1205117312.db2.gz FFBQGRMCRIAKHD-XOBRGWDASA-N 0 3 344.455 2.357 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cnns2)N(C)C)cc1 ZINC000930998663 1206598613 /nfs/dbraw/zinc/59/86/13/1206598613.db2.gz PWIWNGLRRUJFGS-CYBMUJFWSA-N 0 3 334.449 2.029 20 10 EECDHN CCN1CCCC[C@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084814453 1211578522 /nfs/dbraw/zinc/57/85/22/1211578522.db2.gz AXNUNWMUVXWGTQ-KRWDZBQOSA-N 0 3 349.450 2.357 20 10 EECDHN N[C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000827567266 1248463402 /nfs/dbraw/zinc/46/34/02/1248463402.db2.gz FOZYJGUMEKGDBA-LJQANCHMSA-N 0 3 345.487 2.437 20 10 EECDHN CN(C)Cc1cccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)c1 ZINC001201397119 1289533596 /nfs/dbraw/zinc/53/35/96/1289533596.db2.gz NFHXKYZNNLNYBV-UHFFFAOYSA-N 0 3 347.484 2.339 20 10 EECDHN COc1cc(C(=O)N[C@@H]2CC[C@H](C)N(CCCF)C2)cc(OC)n1 ZINC001071645483 1294717540 /nfs/dbraw/zinc/71/75/40/1294717540.db2.gz JXBZOXATFWDWGI-GXTWGEPZSA-N 0 3 339.411 2.041 20 10 EECDHN C[C@@H]1CN(C(=O)C23CC([NH2+]Cc4ccccc4[O-])(C2)C3)C[C@@H](C)O1 ZINC001277441843 1303030976 /nfs/dbraw/zinc/03/09/76/1303030976.db2.gz QGDGJWSTYNSVBJ-CXTCDGGRSA-N 0 3 330.428 2.040 20 10 EECDHN COc1cc([O-])c(CN2CCO[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC001232271519 1304061008 /nfs/dbraw/zinc/06/10/08/1304061008.db2.gz VQNLXPYADJIPJT-CQSZACIVSA-N 0 3 340.851 2.351 20 10 EECDHN CCOC(=O)c1c(CN2CCC[C@@H](C(N)=O)C2)c2ccccc2n1C ZINC001233270461 1304412365 /nfs/dbraw/zinc/41/23/65/1304412365.db2.gz OTZACDUAGSOSBF-CYBMUJFWSA-N 0 3 343.427 2.052 20 10 EECDHN CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c([O-])c1 ZINC001237040096 1305774654 /nfs/dbraw/zinc/77/46/54/1305774654.db2.gz DIWIPLYURDUOAX-INIZCTEOSA-N 0 3 332.444 2.481 20 10 EECDHN Cc1cccc(O)c1CN1C[C@H](NC(=O)OC(C)(C)C)C[C@H](O)C1 ZINC001237481096 1305953270 /nfs/dbraw/zinc/95/32/70/1305953270.db2.gz CFZWJIPTOMYDCN-KGLIPLIRSA-N 0 3 336.432 2.161 20 10 EECDHN Cc1ccc(C)c(CN2C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001140184490 1314829920 /nfs/dbraw/zinc/82/99/20/1314829920.db2.gz WITFJIBDPLKJLG-LSDHHAIUSA-N 0 3 336.432 2.079 20 10 EECDHN CCN1CCN(c2ccc(CN3CCCC(=O)[C@@H](F)C3)cc2)CC1 ZINC001140302029 1314860444 /nfs/dbraw/zinc/86/04/44/1314860444.db2.gz HSOHVJBCAGEEKI-SFHVURJKSA-N 0 3 333.451 2.332 20 10 EECDHN Fc1cc(N2CCOCC2)ccc1CN1CC(N2CCCCC2)C1 ZINC001140663623 1314924897 /nfs/dbraw/zinc/92/48/97/1314924897.db2.gz MFEPYTAHJYPFJE-UHFFFAOYSA-N 0 3 333.451 2.332 20 10 EECDHN COCCNC(=O)C1(N[C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000840823365 1315417769 /nfs/dbraw/zinc/41/77/69/1315417769.db2.gz XCAXWJCEVQKFBV-ZDUSSCGKSA-N 0 3 332.444 2.217 20 10 EECDHN C[C@H](NCc1cnc(N(C)C)n1C)c1ccc(N2CCOCC2)cc1 ZINC000840886009 1315427201 /nfs/dbraw/zinc/42/72/01/1315427201.db2.gz LGEIAAZJIOSTKQ-HNNXBMFYSA-N 0 3 343.475 2.174 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001249726155 1317159786 /nfs/dbraw/zinc/15/97/86/1317159786.db2.gz XJRCYWHDZUPCIO-HIFRSBDPSA-N 0 3 337.416 2.069 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001249726155 1317159791 /nfs/dbraw/zinc/15/97/91/1317159791.db2.gz XJRCYWHDZUPCIO-HIFRSBDPSA-N 0 3 337.416 2.069 20 10 EECDHN O=C(NC1CCC1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203553057 1321911153 /nfs/dbraw/zinc/91/11/53/1321911153.db2.gz ZWHFYDQFULGCLZ-INIZCTEOSA-N 0 3 344.455 2.432 20 10 EECDHN COc1ccc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c([O-])c1 ZINC001203634515 1321929034 /nfs/dbraw/zinc/92/90/34/1321929034.db2.gz JYLIRPYOOAOPRD-UHFFFAOYSA-N 0 3 333.432 2.171 20 10 EECDHN [O-]c1cc(O)ccc1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001204273323 1322100024 /nfs/dbraw/zinc/10/00/24/1322100024.db2.gz OEQLFOFFFJMIID-HZPDHXFCSA-N 0 3 325.412 2.057 20 10 EECDHN O=c1[nH]c(=O)c2c([nH]1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204321031 1322111892 /nfs/dbraw/zinc/11/18/92/1322111892.db2.gz FCOHOIJIDVDKCF-UHFFFAOYSA-N 0 3 326.400 2.046 20 10 EECDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001605482499 1351169103 /nfs/dbraw/zinc/16/91/03/1351169103.db2.gz TVUUIMJCPCPBMI-HUUCEWRRSA-N 0 3 349.475 2.015 20 10 EECDHN CN(C)c1ccc(CN2CCN(CC(C)(C)O)CC2)c(Cl)c1 ZINC001140927176 1372711584 /nfs/dbraw/zinc/71/15/84/1372711584.db2.gz IFKRWXQKPRBDNZ-UHFFFAOYSA-N 0 3 325.884 2.295 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3nccnc3C)C2)c(OC)c1 ZINC001141032903 1372746048 /nfs/dbraw/zinc/74/60/48/1372746048.db2.gz RXYRPZRHBLIFPT-ZDUSSCGKSA-N 0 3 345.399 2.161 20 10 EECDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000400902783 1409772724 /nfs/dbraw/zinc/77/27/24/1409772724.db2.gz LVVCUHCLAQPSEU-CJNGLKHVSA-N 0 3 337.439 2.042 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@]2(C)CCCO2)N(C)C)cc1 ZINC000893559308 770511207 /nfs/dbraw/zinc/51/12/07/770511207.db2.gz XTVGVMBTWWPVLI-PKOBYXMFSA-N 0 3 348.491 2.224 20 10 EECDHN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920868905 770890606 /nfs/dbraw/zinc/89/06/06/770890606.db2.gz FBYXLTWQMLQZLT-HRCADAONSA-N 0 3 333.476 2.477 20 10 EECDHN CNC(=O)OC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000809779686 783385020 /nfs/dbraw/zinc/38/50/20/783385020.db2.gz WDVOJZVDCRXCST-GOSISDBHSA-N 0 3 347.459 2.234 20 10 EECDHN C[C@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)cc2)c2nccn21 ZINC000825017764 788397565 /nfs/dbraw/zinc/39/75/65/788397565.db2.gz YUWBMWWNTICMTG-YJBOKZPZSA-N 0 3 325.460 2.431 20 10 EECDHN CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276739 800515572 /nfs/dbraw/zinc/51/55/72/800515572.db2.gz PTSABMGFCJWPJW-UHFFFAOYSA-N 0 3 348.424 2.332 20 10 EECDHN CCOC(=O)c1nc2c(s1)CC[N@@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276739 800515575 /nfs/dbraw/zinc/51/55/75/800515575.db2.gz PTSABMGFCJWPJW-UHFFFAOYSA-N 0 3 348.424 2.332 20 10 EECDHN CCOc1ccc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)c([O-])c1 ZINC000808438668 812637665 /nfs/dbraw/zinc/63/76/65/812637665.db2.gz KDKCSQWVFFMGLS-AWEZNQCLSA-N 0 3 326.462 2.090 20 10 EECDHN CCOc1ccc(O)c(CN[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000377168504 238285108 /nfs/dbraw/zinc/28/51/08/238285108.db2.gz MWQGSZHRIHXVIQ-MRXNPFEDSA-N 0 3 331.416 2.147 20 10 EECDHN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@](C)(O)CN(C)C)cc1 ZINC000152517145 463699620 /nfs/dbraw/zinc/69/96/20/463699620.db2.gz FEWYYOPUYTUMKR-LJQANCHMSA-N 0 3 329.444 2.137 20 10 EECDHN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185006861 463734920 /nfs/dbraw/zinc/73/49/20/463734920.db2.gz KBPWGHMVTCFWGZ-OAHLLOKOSA-N 0 3 333.476 2.342 20 10 EECDHN C[C@@H]1[C@@H](C)CCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000177893466 463810115 /nfs/dbraw/zinc/81/01/15/463810115.db2.gz HZKKYHHOOIFSMI-LSDHHAIUSA-N 0 3 349.450 2.009 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c([O-])c1 ZINC000186082329 463934005 /nfs/dbraw/zinc/93/40/05/463934005.db2.gz QCTLIPIHHOXDNE-HIFRSBDPSA-N 0 3 328.416 2.280 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278475548 463966617 /nfs/dbraw/zinc/96/66/17/463966617.db2.gz OELLZUJMXSXINH-KBPBESRZSA-N 0 3 330.432 2.454 20 10 EECDHN CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(C)cc1[O-] ZINC000280124074 464189681 /nfs/dbraw/zinc/18/96/81/464189681.db2.gz ONELOCMBIKRUHN-ZFWWWQNUSA-N 0 3 330.432 2.494 20 10 EECDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)C(C)C ZINC000236917361 464238203 /nfs/dbraw/zinc/23/82/03/464238203.db2.gz UXHLWMJIPVSTHE-ZDUSSCGKSA-N 0 3 329.238 2.487 20 10 EECDHN CCOc1ccc(O)c(CN(C)C[C@@H](O)COCCOC(C)C)c1 ZINC000271124210 464282767 /nfs/dbraw/zinc/28/27/67/464282767.db2.gz GUAUCXSWKFOIOO-MRXNPFEDSA-N 0 3 341.448 2.025 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1 ZINC000271124210 464282770 /nfs/dbraw/zinc/28/27/70/464282770.db2.gz GUAUCXSWKFOIOO-MRXNPFEDSA-N 0 3 341.448 2.025 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1 ZINC000271124210 464282775 /nfs/dbraw/zinc/28/27/75/464282775.db2.gz GUAUCXSWKFOIOO-MRXNPFEDSA-N 0 3 341.448 2.025 20 10 EECDHN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000292718586 464318966 /nfs/dbraw/zinc/31/89/66/464318966.db2.gz DYDHKKZUHPYRPV-QAPCUYQASA-N 0 3 349.427 2.191 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)c1[O-] ZINC000293978050 464429021 /nfs/dbraw/zinc/42/90/21/464429021.db2.gz RBWALHVKIZEJMV-CABZTGNLSA-N 0 3 348.262 2.128 20 10 EECDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000189391907 464491588 /nfs/dbraw/zinc/49/15/88/464491588.db2.gz PLAQZHSTAAZJEC-ZIAGYGMSSA-N 0 3 337.439 2.180 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000285700780 464663705 /nfs/dbraw/zinc/66/37/05/464663705.db2.gz OVDOQQMLWIVFCC-XYTVBORESA-N 0 3 345.487 2.435 20 10 EECDHN CCN(CCOCCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000265785753 464685727 /nfs/dbraw/zinc/68/57/27/464685727.db2.gz LGSOBXIPTACKEG-UHFFFAOYSA-N 0 3 336.476 2.133 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000362688186 465942562 /nfs/dbraw/zinc/94/25/62/465942562.db2.gz SWXHOCPMGOVKFE-MJGOQNOKSA-N 0 3 331.504 2.467 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000362688186 465942564 /nfs/dbraw/zinc/94/25/64/465942564.db2.gz SWXHOCPMGOVKFE-MJGOQNOKSA-N 0 3 331.504 2.467 20 10 EECDHN CC[C@H]1CCCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000727832457 576452858 /nfs/dbraw/zinc/45/28/58/576452858.db2.gz CKEMPBCVSKAFNF-INIZCTEOSA-N 0 3 331.460 2.218 20 10 EECDHN CC1(C)NC(=O)N(CC[N@H+](Cc2ccccc2[O-])C2CCCC2)C1=O ZINC000732204517 577156668 /nfs/dbraw/zinc/15/66/68/577156668.db2.gz LSISODRBJDAQFS-UHFFFAOYSA-N 0 3 345.443 2.467 20 10 EECDHN CC1(C)NC(=O)N(CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1=O ZINC000732204517 577156669 /nfs/dbraw/zinc/15/66/69/577156669.db2.gz LSISODRBJDAQFS-UHFFFAOYSA-N 0 3 345.443 2.467 20 10 EECDHN CN(C)CCOc1ccc(N(C)Cc2cccc(C(N)=O)c2)cc1 ZINC000732410909 577179192 /nfs/dbraw/zinc/17/91/92/577179192.db2.gz MNFUIJZRICWWCE-UHFFFAOYSA-N 0 3 327.428 2.362 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC(=O)c2cccs2)c1 ZINC000775371025 577436051 /nfs/dbraw/zinc/43/60/51/577436051.db2.gz LIKDSNYEKKUSLW-LLVKDONJSA-N 0 3 348.424 2.112 20 10 EECDHN Cc1cccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1O ZINC000775652795 577441892 /nfs/dbraw/zinc/44/18/92/577441892.db2.gz ULSXBMXAQRXEDU-UHFFFAOYSA-N 0 3 328.372 2.326 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCS2(=O)=O)c1[O-] ZINC000776252566 577455656 /nfs/dbraw/zinc/45/56/56/577455656.db2.gz GNLXBIXEONSABZ-GFCCVEGCSA-N 0 3 348.262 2.130 20 10 EECDHN COc1cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c([O-])cc1C ZINC000777564368 577481799 /nfs/dbraw/zinc/48/17/99/577481799.db2.gz NEONKIJSHXWSFX-NSHDSACASA-N 0 3 346.349 2.210 20 10 EECDHN COc1cc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c([O-])cc1C ZINC000777564368 577481800 /nfs/dbraw/zinc/48/18/00/577481800.db2.gz NEONKIJSHXWSFX-NSHDSACASA-N 0 3 346.349 2.210 20 10 EECDHN CCN(CC)c1ccc(CN[C@]2(CC(=O)OC)CCOC2)cc1F ZINC000766467387 577519998 /nfs/dbraw/zinc/51/99/98/577519998.db2.gz IXJSVGZVXQZFTO-SFHVURJKSA-N 0 3 338.423 2.484 20 10 EECDHN COc1ccc(OCC[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768442998 577555820 /nfs/dbraw/zinc/55/58/20/577555820.db2.gz VOUMAYWSZSAVRV-SFHVURJKSA-N 0 3 345.395 2.337 20 10 EECDHN COc1ccc(OCC[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768442998 577555821 /nfs/dbraw/zinc/55/58/21/577555821.db2.gz VOUMAYWSZSAVRV-SFHVURJKSA-N 0 3 345.395 2.337 20 10 EECDHN CC(C)(C)OC(=O)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768451014 577556015 /nfs/dbraw/zinc/55/60/15/577556015.db2.gz LKDFVIVEDLRLQI-INIZCTEOSA-N 0 3 349.427 2.372 20 10 EECDHN COC(=O)CC[N@H+](Cc1cc(OC)c(C)cc1[O-])C1CCOCC1 ZINC000768465740 577556605 /nfs/dbraw/zinc/55/66/05/577556605.db2.gz JXYIXEJWHCUIOU-UHFFFAOYSA-N 0 3 337.416 2.253 20 10 EECDHN COC(=O)CC[N@@H+](Cc1cc(OC)c(C)cc1[O-])C1CCOCC1 ZINC000768465740 577556606 /nfs/dbraw/zinc/55/66/06/577556606.db2.gz JXYIXEJWHCUIOU-UHFFFAOYSA-N 0 3 337.416 2.253 20 10 EECDHN COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCOC1 ZINC000770675200 577601368 /nfs/dbraw/zinc/60/13/68/577601368.db2.gz CRPOQWHKGYZJRL-INIZCTEOSA-N 0 3 343.807 2.256 20 10 EECDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000757770940 577863840 /nfs/dbraw/zinc/86/38/40/577863840.db2.gz GKTNAWOINUMCAM-MKBNYLNASA-N 0 3 333.432 2.244 20 10 EECDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000757775563 577863897 /nfs/dbraw/zinc/86/38/97/577863897.db2.gz KBLZMNAKUKFZBO-KBXCAEBGSA-N 0 3 330.476 2.377 20 10 EECDHN [O-]c1ccc2ccncc2c1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000736282802 578193373 /nfs/dbraw/zinc/19/33/73/578193373.db2.gz ZJWQOIAOARRNAZ-UHFFFAOYSA-N 0 3 341.455 2.485 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCCOC2)N(C)C)cc1 ZINC000891246800 676240327 /nfs/dbraw/zinc/24/03/27/676240327.db2.gz DTTRDSRFOGOWJC-MJGOQNOKSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C2CCC(O)CC2)N(C)C)cc1 ZINC000891248373 676242522 /nfs/dbraw/zinc/24/25/22/676242522.db2.gz LEEKHENCKKRFKS-VMWRSERWSA-N 0 3 333.476 2.023 20 10 EECDHN CCOC(=O)C(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249751 676244648 /nfs/dbraw/zinc/24/46/48/676244648.db2.gz WJIFSDCQVZBWAR-MRXNPFEDSA-N 0 3 349.475 2.061 20 10 EECDHN COCCCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891901336 676896960 /nfs/dbraw/zinc/89/69/60/676896960.db2.gz AKNILSKRBBHCOF-QGZVFWFLSA-N 0 3 336.480 2.081 20 10 EECDHN CCOC(=O)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000158085723 678177590 /nfs/dbraw/zinc/17/75/90/678177590.db2.gz QJBOOWLRBIJHIC-UHFFFAOYSA-N 0 3 332.444 2.298 20 10 EECDHN Cc1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000892502586 681251703 /nfs/dbraw/zinc/25/17/03/681251703.db2.gz MJMHSTBTIMPFKJ-QGZVFWFLSA-N 0 3 345.447 2.151 20 10 EECDHN CO[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899105200 693607392 /nfs/dbraw/zinc/60/73/92/693607392.db2.gz VGPKTHDSOOMZMR-QZTJIDSGSA-N 0 3 348.491 2.176 20 10 EECDHN CO[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899105201 693607495 /nfs/dbraw/zinc/60/74/95/693607495.db2.gz VGPKTHDSOOMZMR-ROUUACIJSA-N 0 3 348.491 2.176 20 10 EECDHN COCC1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000899104988 693607657 /nfs/dbraw/zinc/60/76/57/693607657.db2.gz URVGRELFTVRRJS-QGZVFWFLSA-N 0 3 348.491 2.224 20 10 EECDHN C[C@H]1COCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899099102 693611521 /nfs/dbraw/zinc/61/15/21/693611521.db2.gz VMPAPHPLPOXYJP-CRAIPNDOSA-N 0 3 348.491 2.033 20 10 EECDHN CCOCCN1CC[C@]2(CCCN2Cc2ccc(N(C)C)cc2)C1=O ZINC001272916777 1193602840 /nfs/dbraw/zinc/60/28/40/1193602840.db2.gz LVVJCZFKQPEOHU-HXUWFJFHSA-N 0 3 345.487 2.356 20 10 EECDHN O=C1CO[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1C1CCCC1 ZINC001272618881 1190934075 /nfs/dbraw/zinc/93/40/75/1190934075.db2.gz PKPAUYWIRJRKJD-IBGZPJMESA-N 0 3 330.428 2.138 20 10 EECDHN O=C1CO[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1C1CCCC1 ZINC001272618881 1190934078 /nfs/dbraw/zinc/93/40/78/1190934078.db2.gz PKPAUYWIRJRKJD-IBGZPJMESA-N 0 3 330.428 2.138 20 10 EECDHN CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272619814 1190934584 /nfs/dbraw/zinc/93/45/84/1190934584.db2.gz ZPGNSVBZZYZUQS-DNVCBOLYSA-N 0 3 332.444 2.242 20 10 EECDHN CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272619814 1190934586 /nfs/dbraw/zinc/93/45/86/1190934586.db2.gz ZPGNSVBZZYZUQS-DNVCBOLYSA-N 0 3 332.444 2.242 20 10 EECDHN COC(=O)C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876531194 1199659047 /nfs/dbraw/zinc/65/90/47/1199659047.db2.gz YNCYYQHPLSVWIL-UHFFFAOYSA-N 0 3 332.444 2.033 20 10 EECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000877503615 1199951454 /nfs/dbraw/zinc/95/14/54/1199951454.db2.gz RCMWNIIKERYKEL-INIZCTEOSA-N 0 3 340.423 2.470 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC(C)CC3)CC2)cc1F ZINC000122811084 1200333379 /nfs/dbraw/zinc/33/33/79/1200333379.db2.gz LZQKGQMQBLYSBG-UHFFFAOYSA-N 0 3 349.450 2.215 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000879648692 1201193901 /nfs/dbraw/zinc/19/39/01/1201193901.db2.gz ZKRHMWOTZLAIEB-CQSZACIVSA-N 0 3 327.428 2.425 20 10 EECDHN CNC(=O)[C@H]1CC12CCN(Cc1ccc(N(C)C)cc1OC)CC2 ZINC001274215829 1204474503 /nfs/dbraw/zinc/47/45/03/1204474503.db2.gz OEJKFPWXJLDKGM-MRXNPFEDSA-N 0 3 331.460 2.109 20 10 EECDHN COc1cc(Br)cc(C[NH2+][C@H](C)C2(CO)CC2)c1[O-] ZINC000850360213 1277197945 /nfs/dbraw/zinc/19/79/45/1277197945.db2.gz BSCXSYBFCKJPPX-SECBINFHSA-N 0 3 330.222 2.414 20 10 EECDHN CCN(C)c1ccc(CN2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000815142131 1278064494 /nfs/dbraw/zinc/06/44/94/1278064494.db2.gz NPZWIBIPLDXCNT-SFHVURJKSA-N 0 3 329.448 2.064 20 10 EECDHN CN(C)c1cc(F)c(CN2CCC3(CCN(C)C3=O)CC2)cc1F ZINC000862350192 1295802251 /nfs/dbraw/zinc/80/22/51/1295802251.db2.gz KPYGBZQSKKJHHZ-UHFFFAOYSA-N 0 3 337.414 2.475 20 10 EECDHN CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276914945 1300243949 /nfs/dbraw/zinc/24/39/49/1300243949.db2.gz XDJJYIVMMMIVOZ-XOIINTDNSA-N 0 3 332.444 2.471 20 10 EECDHN COc1ccc(Br)c(CN2CCN3CC[C@H]3C2)c1O ZINC001231555229 1303844141 /nfs/dbraw/zinc/84/41/41/1303844141.db2.gz JRZZALOVDRQMLG-JTQLQIEISA-N 0 3 327.222 2.053 20 10 EECDHN COCCCN1CCN(Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232269704 1304059282 /nfs/dbraw/zinc/05/92/82/1304059282.db2.gz IFAYBLXUJJGZAW-UHFFFAOYSA-N 0 3 328.840 2.208 20 10 EECDHN NC(=O)C1C[NH+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC001233195073 1304391005 /nfs/dbraw/zinc/39/10/05/1304391005.db2.gz FGKJFGWELALHFZ-UHFFFAOYSA-N 0 3 335.201 2.225 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]3[NH2+]CC[C@H]32)c(Br)c1 ZINC001235081079 1305108527 /nfs/dbraw/zinc/10/85/27/1305108527.db2.gz AZLMNZQNXCUQHU-CHWSQXEVSA-N 0 3 327.222 2.100 20 10 EECDHN CN(C1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1)S(C)(=O)=O ZINC001236832813 1305692212 /nfs/dbraw/zinc/69/22/12/1305692212.db2.gz LWGNECNVDQEOIT-UHFFFAOYSA-N 0 3 348.468 2.401 20 10 EECDHN Cc1cccc(O)c1CN1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 ZINC001237486183 1305954388 /nfs/dbraw/zinc/95/43/88/1305954388.db2.gz WRXARMMXZWBDHF-AWEZNQCLSA-N 0 3 336.432 2.114 20 10 EECDHN Cc1ncc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC001139410815 1314740956 /nfs/dbraw/zinc/74/09/56/1314740956.db2.gz GEHIGWKBTHFJEL-UHFFFAOYSA-N 0 3 325.460 2.169 20 10 EECDHN CCN1CCN(c2ccc(CN3CCC(=O)[C@H](F)CC3)cc2)CC1 ZINC001140302435 1314861472 /nfs/dbraw/zinc/86/14/72/1314861472.db2.gz RFOBECREKRDMNK-GOSISDBHSA-N 0 3 333.451 2.332 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001249730519 1317160353 /nfs/dbraw/zinc/16/03/53/1317160353.db2.gz LDDTZWPUFAWDDK-IYBDPMFKSA-N 0 3 349.427 2.193 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001249730519 1317160360 /nfs/dbraw/zinc/16/03/60/1317160360.db2.gz LDDTZWPUFAWDDK-IYBDPMFKSA-N 0 3 349.427 2.193 20 10 EECDHN CC(C)Oc1ccccc1OC[C@@H](O)CNCc1ccc(O)c(O)c1 ZINC001254027801 1317985930 /nfs/dbraw/zinc/98/59/30/1317985930.db2.gz OFXXJWOPJRQJJW-HNNXBMFYSA-N 0 3 347.411 2.415 20 10 EECDHN CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001203552769 1321911182 /nfs/dbraw/zinc/91/11/82/1321911182.db2.gz SNTQZFWVQVXQOA-APWZRJJASA-N 0 3 332.444 2.003 20 10 EECDHN CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552769 1321911184 /nfs/dbraw/zinc/91/11/84/1321911184.db2.gz SNTQZFWVQVXQOA-APWZRJJASA-N 0 3 332.444 2.003 20 10 EECDHN CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556370 1321911356 /nfs/dbraw/zinc/91/13/56/1321911356.db2.gz OAJXYHHBVHSCEF-KRWDZBQOSA-N 0 3 346.471 2.489 20 10 EECDHN COc1cccc(C[NH2+]Cc2cccc(F)c2-c2nnn[n-]2)c1O ZINC001605318091 1351135052 /nfs/dbraw/zinc/13/50/52/1351135052.db2.gz LVTHZBHXVIOVHG-UHFFFAOYSA-N 0 3 329.335 2.010 20 10 EECDHN COc1cccc(C[NH2+]Cc2cccc(F)c2-c2nn[n-]n2)c1O ZINC001605318091 1351135055 /nfs/dbraw/zinc/13/50/55/1351135055.db2.gz LVTHZBHXVIOVHG-UHFFFAOYSA-N 0 3 329.335 2.010 20 10 EECDHN COc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)ccc1-c1nnn[n-]1 ZINC001609344641 1351940095 /nfs/dbraw/zinc/94/00/95/1351940095.db2.gz OTIGIHHOKFMOGO-CQSZACIVSA-N 0 3 337.383 2.358 20 10 EECDHN COC[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC ZINC000781417454 1371226961 /nfs/dbraw/zinc/22/69/61/1371226961.db2.gz YPKRKNRMDLCQKI-HNNXBMFYSA-N 0 3 337.420 2.336 20 10 EECDHN CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000830546241 1372335441 /nfs/dbraw/zinc/33/54/41/1372335441.db2.gz UUXGGEWIKZXVEJ-UHFFFAOYSA-N 0 3 337.439 2.009 20 10 EECDHN CNC(=O)C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834899198 1372574642 /nfs/dbraw/zinc/57/46/42/1372574642.db2.gz JJGZCJFQULMGJX-STQMWFEESA-N 0 3 339.867 2.352 20 10 EECDHN Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)c([O-])c1 ZINC001140950214 1372726182 /nfs/dbraw/zinc/72/61/82/1372726182.db2.gz VVLJWQPKZIJEEC-IBGZPJMESA-N 0 3 338.411 2.120 20 10 EECDHN Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)c([O-])c1 ZINC001140950214 1372726185 /nfs/dbraw/zinc/72/61/85/1372726185.db2.gz VVLJWQPKZIJEEC-IBGZPJMESA-N 0 3 338.411 2.120 20 10 EECDHN CCN1CCC2(CC[NH+](Cc3c([O-])cc(OC)cc3OC)CC2)C1=O ZINC001141030979 1372744951 /nfs/dbraw/zinc/74/49/51/1372744951.db2.gz SXVSDMPQWUBTCH-UHFFFAOYSA-N 0 3 348.443 2.244 20 10 EECDHN C[C@H](NC[C@H]1C[NH2+]CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000817981984 785132306 /nfs/dbraw/zinc/13/23/06/785132306.db2.gz OZAXVBZZXYEHLG-VHSXEESVSA-N 0 3 347.228 2.323 20 10 EECDHN Cc1oncc1CNCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237523 798815599 /nfs/dbraw/zinc/81/55/99/798815599.db2.gz CLQGTAIGLWCLQK-UHFFFAOYSA-N 0 3 344.375 2.055 20 10 EECDHN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000493835387 282267192 /nfs/dbraw/zinc/26/71/92/282267192.db2.gz JBSGAYOVMDQCFX-SBDDDAINSA-N 0 3 330.819 2.312 20 10 EECDHN C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)C[C@H](C)O1 ZINC000092506871 237034476 /nfs/dbraw/zinc/03/44/76/237034476.db2.gz OINKDMGFPSSJDF-LZWOXQAQSA-N 0 3 348.443 2.195 20 10 EECDHN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)C[C@H](C)O1 ZINC000092506871 237034486 /nfs/dbraw/zinc/03/44/86/237034486.db2.gz OINKDMGFPSSJDF-LZWOXQAQSA-N 0 3 348.443 2.195 20 10 EECDHN COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])ccc1OCC(N)=O ZINC000185205073 463777103 /nfs/dbraw/zinc/77/71/03/463777103.db2.gz YVXZEVZJNNXBPG-LLVKDONJSA-N 0 3 348.374 2.255 20 10 EECDHN C[C@H](O)C[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279963823 464173437 /nfs/dbraw/zinc/17/34/37/464173437.db2.gz YMGCTFZCECGUHD-QFBILLFUSA-N 0 3 347.503 2.336 20 10 EECDHN CN(Cc1cc2c(cc1O)OCO2)C[C@H](O)COCc1ccccc1 ZINC000271147989 464282557 /nfs/dbraw/zinc/28/25/57/464282557.db2.gz SEUYSBZXMADXND-INIZCTEOSA-N 0 3 345.395 2.130 20 10 EECDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H](O)COCc1ccccc1 ZINC000271147989 464282564 /nfs/dbraw/zinc/28/25/64/464282564.db2.gz SEUYSBZXMADXND-INIZCTEOSA-N 0 3 345.395 2.130 20 10 EECDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H](O)COCc1ccccc1 ZINC000271147989 464282570 /nfs/dbraw/zinc/28/25/70/464282570.db2.gz SEUYSBZXMADXND-INIZCTEOSA-N 0 3 345.395 2.130 20 10 EECDHN COc1ccc(N2CCN(C(=O)C3(N)CCCCC3)CC2)cc1F ZINC000237265326 464294658 /nfs/dbraw/zinc/29/46/58/464294658.db2.gz CHFPMVNXAZCHID-UHFFFAOYSA-N 0 3 335.423 2.145 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@@]3(C)CCCCN3)CC2)cc1F ZINC000181012993 464433646 /nfs/dbraw/zinc/43/36/46/464433646.db2.gz HXUVJFOCZKZSPU-GOSISDBHSA-N 0 3 335.423 2.015 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H](CCO)C(C)(C)C)cc1 ZINC000181487614 464496429 /nfs/dbraw/zinc/49/64/29/464496429.db2.gz VEYMYGDRBFLXBC-QGZVFWFLSA-N 0 3 335.492 2.098 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1OC ZINC000272904999 464694534 /nfs/dbraw/zinc/69/45/34/464694534.db2.gz BOLDBKAZQKLPDU-CQSZACIVSA-N 0 3 337.416 2.384 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1OC ZINC000272904999 464694539 /nfs/dbraw/zinc/69/45/39/464694539.db2.gz BOLDBKAZQKLPDU-CQSZACIVSA-N 0 3 337.416 2.384 20 10 EECDHN COC[C@H]1CCCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000363818366 466629288 /nfs/dbraw/zinc/62/92/88/466629288.db2.gz KLKHCXNAGHBAHH-KRWDZBQOSA-N 0 3 333.476 2.117 20 10 EECDHN [O-]c1ccccc1C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C[C@@H]1CCCO1 ZINC000378443031 467302559 /nfs/dbraw/zinc/30/25/59/467302559.db2.gz QCQPZEBXRITEQI-GBESFXJTSA-N 0 3 346.471 2.236 20 10 EECDHN [O-]c1ccccc1C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C[C@@H]1CCCO1 ZINC000378443031 467302564 /nfs/dbraw/zinc/30/25/64/467302564.db2.gz QCQPZEBXRITEQI-GBESFXJTSA-N 0 3 346.471 2.236 20 10 EECDHN CCOc1cccc(C[NH2+]CCNC(=O)c2ccc(F)cc2)c1[O-] ZINC000725846736 576066046 /nfs/dbraw/zinc/06/60/46/576066046.db2.gz RTEGWCHVDTUQQD-UHFFFAOYSA-N 0 3 332.375 2.450 20 10 EECDHN CN(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847167 577127445 /nfs/dbraw/zinc/12/74/45/577127445.db2.gz GLFHGASYMCXEMQ-UHFFFAOYSA-N 0 3 340.489 2.418 20 10 EECDHN CN(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847167 577127447 /nfs/dbraw/zinc/12/74/47/577127447.db2.gz GLFHGASYMCXEMQ-UHFFFAOYSA-N 0 3 340.489 2.418 20 10 EECDHN CCN(C)c1ccc(CN2CCN([C@H]3CCCN(C)C3)CC2)cc1 ZINC000773775106 577364013 /nfs/dbraw/zinc/36/40/13/577364013.db2.gz WOCWNKJVEBFSMD-FQEVSTJZSA-N 0 3 330.520 2.355 20 10 EECDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000775783789 577445543 /nfs/dbraw/zinc/44/55/43/577445543.db2.gz VITLWMIVDVDYGX-QFBILLFUSA-N 0 3 345.487 2.464 20 10 EECDHN COc1ncc(/C=C\C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cn1 ZINC000775846510 577447132 /nfs/dbraw/zinc/44/71/32/577447132.db2.gz QAGOOFHUOYCQHY-QWGSZXSUSA-N 0 3 338.411 2.018 20 10 EECDHN C[C@H](NCCNc1cnccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766583218 577521886 /nfs/dbraw/zinc/52/18/86/577521886.db2.gz CBANJCIRZBGHMK-AWEZNQCLSA-N 0 3 345.422 2.215 20 10 EECDHN Fc1cc(CN2CCN(C3CCC3)CC2)ccc1N1CCOCC1 ZINC000769414500 577577373 /nfs/dbraw/zinc/57/73/73/577577373.db2.gz VIMYFIMOWREAKW-UHFFFAOYSA-N 0 3 333.451 2.332 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC4(CC4)CC3)CC2)cc1 ZINC000761061781 577675306 /nfs/dbraw/zinc/67/53/06/577675306.db2.gz GRJZOIZPIIIQBH-UHFFFAOYSA-N 0 3 343.471 2.220 20 10 EECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756418320 577843819 /nfs/dbraw/zinc/84/38/19/577843819.db2.gz SNOJAZCZSQTASJ-DGCLKSJQSA-N 0 3 344.452 2.341 20 10 EECDHN CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000757706611 577862939 /nfs/dbraw/zinc/86/29/39/577862939.db2.gz XMXIZUZOKPMHTM-CQSZACIVSA-N 0 3 340.489 2.413 20 10 EECDHN CC(C)C(=O)NCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743696625 577889068 /nfs/dbraw/zinc/88/90/68/577889068.db2.gz ZMSMBFFJKLXKNB-UHFFFAOYSA-N 0 3 348.447 2.447 20 10 EECDHN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC000891243306 676234483 /nfs/dbraw/zinc/23/44/83/676234483.db2.gz LJUUSIIPBOURMP-GOSISDBHSA-N 0 3 326.444 2.489 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]23CCC[C@H]2OCC3)N(C)C)cc1 ZINC000891245509 676238377 /nfs/dbraw/zinc/23/83/77/676238377.db2.gz FMHGWEOIZRYAKW-GGPKGHCWSA-N 0 3 345.487 2.431 20 10 EECDHN Cc1ccncc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245979 676239374 /nfs/dbraw/zinc/23/93/74/676239374.db2.gz LCXQBEGGGJMHQG-IBGZPJMESA-N 0 3 340.471 2.418 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(CO)c2)N(C)C)cc1 ZINC000891249393 676244072 /nfs/dbraw/zinc/24/40/72/676244072.db2.gz SGUOJBLSETUJCG-LJQANCHMSA-N 0 3 341.455 2.278 20 10 EECDHN CCc1n[nH]cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255233 676252599 /nfs/dbraw/zinc/25/25/99/676252599.db2.gz NWMMQWHWNCPUJV-QGZVFWFLSA-N 0 3 329.448 2.071 20 10 EECDHN O=C(NCCCSc1nccs1)NCCN1CCCCC1 ZINC000177550070 681357395 /nfs/dbraw/zinc/35/73/95/681357395.db2.gz FDAOGZWJFVGAOC-UHFFFAOYSA-N 0 3 328.507 2.410 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCC=CO2)N(C)C)cc1 ZINC000894326370 682484557 /nfs/dbraw/zinc/48/45/57/682484557.db2.gz CVIIQTXZKFKVAG-ZWKOTPCHSA-N 0 3 346.475 2.347 20 10 EECDHN CO[C@@H](C)[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894349874 682588446 /nfs/dbraw/zinc/58/84/46/682588446.db2.gz WAFGBWATFRKSFE-ZQIUZPCESA-N 0 3 336.480 2.078 20 10 EECDHN COc1ccc(CNCCN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000892703109 682751356 /nfs/dbraw/zinc/75/13/56/682751356.db2.gz GAOQEJTZSMZRTD-UHFFFAOYSA-N 0 3 345.443 2.209 20 10 EECDHN COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(O)c1OC ZINC000894409912 682842541 /nfs/dbraw/zinc/84/25/41/682842541.db2.gz UUWYNAHWMWJBBH-NWDGAFQWSA-N 0 3 349.349 2.402 20 10 EECDHN COc1ccc(CN[C@@H](CC(N)=O)c2ccccc2)c(O)c1OC ZINC000894630792 683004671 /nfs/dbraw/zinc/00/46/71/683004671.db2.gz GPURLZHVQMNFOI-AWEZNQCLSA-N 0 3 330.384 2.116 20 10 EECDHN COc1ccc(CN2CCC(OC(=O)N(C)C)CC2)c(O)c1OC ZINC000894639600 683008724 /nfs/dbraw/zinc/00/87/24/683008724.db2.gz PGISINOFIJHMRK-UHFFFAOYSA-N 0 3 338.404 2.072 20 10 EECDHN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCCN(C)C1 ZINC000893134270 683835965 /nfs/dbraw/zinc/83/59/65/683835965.db2.gz GWHHUGZCBZVSEL-SFHVURJKSA-N 0 3 328.460 2.298 20 10 EECDHN CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000896621051 685129926 /nfs/dbraw/zinc/12/99/26/685129926.db2.gz OUHKAKBDSPOMSE-AWEZNQCLSA-N 0 3 328.840 2.255 20 10 EECDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000897891734 691813676 /nfs/dbraw/zinc/81/36/76/691813676.db2.gz NWLKVDBZGBTVQJ-CRAIPNDOSA-N 0 3 349.431 2.479 20 10 EECDHN Oc1cc(F)c(F)cc1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001142512663 1188209591 /nfs/dbraw/zinc/20/95/91/1188209591.db2.gz HMOYXLLOHGKDSZ-UHFFFAOYSA-N 0 3 348.397 2.479 20 10 EECDHN CC[C@H](C)N1C[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2)OCC1=O ZINC001272916794 1193602582 /nfs/dbraw/zinc/60/25/82/1193602582.db2.gz MMTPNFUBQGXTMX-OXJNMPFZSA-N 0 3 345.487 2.354 20 10 EECDHN COc1ccc(N2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC000863927347 1197926516 /nfs/dbraw/zinc/92/65/16/1197926516.db2.gz VZRJHLDJHVNXBC-HNNXBMFYSA-N 0 3 331.460 2.122 20 10 EECDHN CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876960869 1199830532 /nfs/dbraw/zinc/83/05/32/1199830532.db2.gz OJBIUTLRGNONBR-UHFFFAOYSA-N 0 3 334.441 2.040 20 10 EECDHN CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648101 1201193889 /nfs/dbraw/zinc/19/38/89/1201193889.db2.gz YJGLBXHOJCZAAN-RDTXWAMCSA-N 0 3 340.423 2.359 20 10 EECDHN Cn1c(Cl)cnc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000883283921 1202040234 /nfs/dbraw/zinc/04/02/34/1202040234.db2.gz YZBRJIBBFXIZID-UHFFFAOYSA-N 0 3 333.867 2.115 20 10 EECDHN CN1CCN(c2ccc(CN[C@@H]3CCCn4ccnc43)cc2)CC1 ZINC000883291000 1202041621 /nfs/dbraw/zinc/04/16/21/1202041621.db2.gz PEKPHSNPXBWFBE-GOSISDBHSA-N 0 3 325.460 2.260 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099390 1204370376 /nfs/dbraw/zinc/37/03/76/1204370376.db2.gz GFQALPUVZSZKSZ-ORAYPTAESA-N 0 3 348.418 2.242 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099390 1204370378 /nfs/dbraw/zinc/37/03/78/1204370378.db2.gz GFQALPUVZSZKSZ-ORAYPTAESA-N 0 3 348.418 2.242 20 10 EECDHN Cc1ccc(CN2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c(O)c1 ZINC001276168986 1205811349 /nfs/dbraw/zinc/81/13/49/1205811349.db2.gz LXIPLWRXNRVRMY-HDICACEKSA-N 0 3 327.428 2.114 20 10 EECDHN Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000929279605 1206462258 /nfs/dbraw/zinc/46/22/58/1206462258.db2.gz ZLFMJIQGCNPEQN-INIZCTEOSA-N 0 3 344.463 2.219 20 10 EECDHN COC(=O)CCn1nc(C)c(CN(C)Cc2ccccc2O)c1C ZINC000091956789 1214370535 /nfs/dbraw/zinc/37/05/35/1214370535.db2.gz IEWFEJZCOFBCSX-UHFFFAOYSA-N 0 3 331.416 2.401 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@@H](C(C)(C)C)C2=O)N(C)C)cc1 ZINC000900184797 1234073360 /nfs/dbraw/zinc/07/33/60/1234073360.db2.gz GLPPMYUUUKGWES-HZPDHXFCSA-N 0 3 346.475 2.322 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](NC/C=C/Cl)C2)cc1 ZINC001188266130 1279822938 /nfs/dbraw/zinc/82/29/38/1279822938.db2.gz UXRAJQZFLXDDKM-FRABWHEFSA-N 0 3 335.795 2.406 20 10 EECDHN CC[C@@H](C)NC(=O)[C@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001273842263 1286682196 /nfs/dbraw/zinc/68/21/96/1286682196.db2.gz BRIBGKHCTGKEGE-TZMCWYRMSA-N 0 3 348.443 2.320 20 10 EECDHN COCCN1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001072103204 1295241827 /nfs/dbraw/zinc/24/18/27/1295241827.db2.gz VICZRFIJNYTIFI-IUODEOHRSA-N 0 3 347.419 2.078 20 10 EECDHN O=C([C@@H]1CCSC12CN(Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446709 1303083305 /nfs/dbraw/zinc/08/33/05/1303083305.db2.gz SSUREKYVDWMSSK-HNNXBMFYSA-N 0 3 330.453 2.098 20 10 EECDHN COc1cc([O-])c(CN2CC[NH+]3CCC2CC3)cc1Br ZINC001233140730 1304374023 /nfs/dbraw/zinc/37/40/23/1304374023.db2.gz SLJUDYMXGJAKQT-UHFFFAOYSA-N 0 3 341.249 2.443 20 10 EECDHN O=C1CCN(Cc2cc(OCc3ccccc3)ccc2O)CCN1 ZINC001236794069 1305679203 /nfs/dbraw/zinc/67/92/03/1305679203.db2.gz WRGHVLPKPWKKCV-UHFFFAOYSA-N 0 3 326.396 2.293 20 10 EECDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C2 ZINC001237681073 1306043101 /nfs/dbraw/zinc/04/31/01/1306043101.db2.gz WWASAEQWGROQSF-RHSMWYFYSA-N 0 3 338.835 2.081 20 10 EECDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C2 ZINC001237681073 1306043111 /nfs/dbraw/zinc/04/31/11/1306043111.db2.gz WWASAEQWGROQSF-RHSMWYFYSA-N 0 3 338.835 2.081 20 10 EECDHN COc1cc(O)c(CN[C@@H](C)C(=O)Nc2cccnc2C)cc1OC ZINC000835071906 1314897450 /nfs/dbraw/zinc/89/74/50/1314897450.db2.gz ZAORSCBZZAXVMF-LBPRGKRZSA-N 0 3 345.399 2.230 20 10 EECDHN Cc1c(O)ccc(CN2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)c1O ZINC001140750072 1314955479 /nfs/dbraw/zinc/95/54/79/1314955479.db2.gz UVYBOHRCMOWXQH-KBPBESRZSA-N 0 3 334.416 2.457 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1[O-] ZINC000841747123 1315608090 /nfs/dbraw/zinc/60/80/90/1315608090.db2.gz OCLTZNQCIMBGHH-CHWSQXEVSA-N 0 3 339.867 2.284 20 10 EECDHN CC1(C)C[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000841886986 1315630909 /nfs/dbraw/zinc/63/09/09/1315630909.db2.gz BALZSXLMIRYFRS-ZDUSSCGKSA-N 0 3 326.387 2.459 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@](C)(CO)[C@H](O)C3)ccc2O1 ZINC001249224008 1317028132 /nfs/dbraw/zinc/02/81/32/1317028132.db2.gz QTTKOQWVUFZAJI-APWZRJJASA-N 0 3 333.428 2.142 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@](C)(CO)[C@H](O)C3)ccc2O1 ZINC001249224008 1317028141 /nfs/dbraw/zinc/02/81/41/1317028141.db2.gz QTTKOQWVUFZAJI-APWZRJJASA-N 0 3 333.428 2.142 20 10 EECDHN Cc1cc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])cc1Br ZINC001250128342 1317216577 /nfs/dbraw/zinc/21/65/77/1317216577.db2.gz CNEZIYWYMJIUNW-JQWIXIFHSA-N 0 3 339.233 2.031 20 10 EECDHN Cc1cc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c([O-])cc1Br ZINC001250128342 1317216587 /nfs/dbraw/zinc/21/65/87/1317216587.db2.gz CNEZIYWYMJIUNW-JQWIXIFHSA-N 0 3 339.233 2.031 20 10 EECDHN Oc1cccc2c1CN(C[C@H](O)COc1ccc(F)cc1F)CC2 ZINC001250861658 1317351547 /nfs/dbraw/zinc/35/15/47/1317351547.db2.gz VPCDZIOBVJBPAV-AWEZNQCLSA-N 0 3 335.350 2.468 20 10 EECDHN [O-]c1cccc2c1C[N@H+](C[C@H](O)COc1ccc(F)cc1F)CC2 ZINC001250861658 1317351557 /nfs/dbraw/zinc/35/15/57/1317351557.db2.gz VPCDZIOBVJBPAV-AWEZNQCLSA-N 0 3 335.350 2.468 20 10 EECDHN [O-]c1cccc2c1C[N@@H+](C[C@H](O)COc1ccc(F)cc1F)CC2 ZINC001250861658 1317351564 /nfs/dbraw/zinc/35/15/64/1317351564.db2.gz VPCDZIOBVJBPAV-AWEZNQCLSA-N 0 3 335.350 2.468 20 10 EECDHN COc1cnc(OC2CCN(Cc3cccc(OC)c3O)CC2)nc1 ZINC001203602067 1321921049 /nfs/dbraw/zinc/92/10/49/1321921049.db2.gz YZFMUUIAVYCGFE-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(O)c(CN2CC[C@H](Oc3ncccc3OC)C2)c1 ZINC001203684182 1321940333 /nfs/dbraw/zinc/94/03/33/1321940333.db2.gz OCTJXFVUHLUJSR-HNNXBMFYSA-N 0 3 330.384 2.458 20 10 EECDHN O=C(c1ccccc1)N1CCCN(Cc2ccc(O)cc2O)CC1 ZINC001204281137 1322102873 /nfs/dbraw/zinc/10/28/73/1322102873.db2.gz REUDTDLGBSGOGA-UHFFFAOYSA-N 0 3 326.396 2.446 20 10 EECDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])C[C@H]1c1ccccc1 ZINC001204281772 1322103384 /nfs/dbraw/zinc/10/33/84/1322103384.db2.gz IQXFQCNQGIVUMU-IRXDYDNUSA-N 0 3 327.380 2.486 20 10 EECDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])C[C@H]1c1ccccc1 ZINC001204281772 1322103387 /nfs/dbraw/zinc/10/33/87/1322103387.db2.gz IQXFQCNQGIVUMU-IRXDYDNUSA-N 0 3 327.380 2.486 20 10 EECDHN CCCN1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319683650 1332741248 /nfs/dbraw/zinc/74/12/48/1332741248.db2.gz LPRXHJPOMAWCTQ-UHFFFAOYSA-N 0 3 334.483 2.105 20 10 EECDHN CN1CCN(c2ccc(CN3CC([C@H]4CCOC4)C3)cc2F)CC1 ZINC001321042474 1333004399 /nfs/dbraw/zinc/00/43/99/1333004399.db2.gz IGZNSFQSZKWRII-INIZCTEOSA-N 0 3 333.451 2.046 20 10 EECDHN Cc1cc(CNC2(C(N)=O)CCOCC2)ccc1N1CCCCC1 ZINC000852494169 1369276354 /nfs/dbraw/zinc/27/63/54/1369276354.db2.gz XIWRTAOLJGBDEQ-UHFFFAOYSA-N 0 3 331.460 2.109 20 10 EECDHN CN(C)c1cc(F)c(CN2CC[C@@H](CN3CCOCC3)C2)cc1F ZINC000862249229 1369526722 /nfs/dbraw/zinc/52/67/22/1369526722.db2.gz YYEVOCOCYJYPHO-AWEZNQCLSA-N 0 3 339.430 2.185 20 10 EECDHN CON(C)C(=O)[C@H](C)NCc1ccc(OCc2ccccc2)cc1O ZINC000862539259 1369538123 /nfs/dbraw/zinc/53/81/23/1369538123.db2.gz LEIBUDSLUAZQJT-AWEZNQCLSA-N 0 3 344.411 2.469 20 10 EECDHN CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000862539259 1369538129 /nfs/dbraw/zinc/53/81/29/1369538129.db2.gz LEIBUDSLUAZQJT-AWEZNQCLSA-N 0 3 344.411 2.469 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3nccc(C)n3)C2)c(OC)c1 ZINC001141032449 1372745700 /nfs/dbraw/zinc/74/57/00/1372745700.db2.gz CHYRCJZERXRWHY-CYBMUJFWSA-N 0 3 345.399 2.161 20 10 EECDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001577939402 1403694928 /nfs/dbraw/zinc/69/49/28/1403694928.db2.gz HJKHVMXIWRCAQE-LJQANCHMSA-N 0 3 345.487 2.322 20 10 EECDHN COc1cccc([C@@H](C)NCc2cccnc2N2CCOCC2)c1O ZINC000846139742 790072846 /nfs/dbraw/zinc/07/28/46/790072846.db2.gz YOFLQJFTONMPSY-CQSZACIVSA-N 0 3 343.427 2.483 20 10 EECDHN COCCN(C(=O)/C=C/c1ccc(N(C)C)cc1)C1CCN(C)CC1 ZINC001180125999 800281962 /nfs/dbraw/zinc/28/19/62/800281962.db2.gz YRABQQUDHPFQGF-JXMROGBWSA-N 0 3 345.487 2.335 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000808683797 812792677 /nfs/dbraw/zinc/79/26/77/812792677.db2.gz JYBQJRRYVRDIHH-WCQYABFASA-N 0 3 346.880 2.429 20 10 EECDHN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000291786222 529974968 /nfs/dbraw/zinc/97/49/68/529974968.db2.gz ADICSFYFLBXGDE-CQSZACIVSA-N 0 3 334.441 2.011 20 10 EECDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000291786222 529974969 /nfs/dbraw/zinc/97/49/69/529974969.db2.gz ADICSFYFLBXGDE-CQSZACIVSA-N 0 3 334.441 2.011 20 10 EECDHN CC[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000090799149 462810568 /nfs/dbraw/zinc/81/05/68/462810568.db2.gz BIBDRCZTAYVNKQ-IAGOWNOFSA-N 0 3 339.505 2.217 20 10 EECDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C)C1=O ZINC000076118445 462811504 /nfs/dbraw/zinc/81/15/04/462811504.db2.gz LYALUDVQMIDIGX-LBPRGKRZSA-N 0 3 327.222 2.207 20 10 EECDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C)C1=O ZINC000076118445 462811508 /nfs/dbraw/zinc/81/15/08/462811508.db2.gz LYALUDVQMIDIGX-LBPRGKRZSA-N 0 3 327.222 2.207 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000124586332 463440693 /nfs/dbraw/zinc/44/06/93/463440693.db2.gz DFIUDYBEPLFURA-AEFFLSMTSA-N 0 3 330.476 2.378 20 10 EECDHN Oc1cc2c(cc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)OCO2 ZINC000278420595 463965071 /nfs/dbraw/zinc/96/50/71/463965071.db2.gz RMQHVYJYTXBSAN-YMTOWFKASA-N 0 3 333.306 2.256 20 10 EECDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186356477 463983577 /nfs/dbraw/zinc/98/35/77/463983577.db2.gz CJKHEAZWCNTCRA-DOMZBBRYSA-N 0 3 326.412 2.359 20 10 EECDHN CCCOc1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c([O-])c1 ZINC000284038418 464073020 /nfs/dbraw/zinc/07/30/20/464073020.db2.gz OOLXDNXHEFIWII-YOEHRIQHSA-N 0 3 325.449 2.429 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1[O-] ZINC000279357578 464091475 /nfs/dbraw/zinc/09/14/75/464091475.db2.gz GRXMGUNWVXYYOI-YGRLFVJLSA-N 0 3 330.222 2.093 20 10 EECDHN CNC(=O)OC[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1O ZINC000290158751 464109179 /nfs/dbraw/zinc/10/91/79/464109179.db2.gz LQJJOMQWUXYLEY-CYBMUJFWSA-N 0 3 338.404 2.120 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000179859726 464200855 /nfs/dbraw/zinc/20/08/55/464200855.db2.gz ZBIUAWSJNQONGS-ZOBUZTSGSA-N 0 3 334.460 2.474 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000179859726 464200859 /nfs/dbraw/zinc/20/08/59/464200859.db2.gz ZBIUAWSJNQONGS-ZOBUZTSGSA-N 0 3 334.460 2.474 20 10 EECDHN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cc(F)ccc1[O-] ZINC000284500092 464217382 /nfs/dbraw/zinc/21/73/82/464217382.db2.gz AQHQFBCKPZDKJL-YRILPIOLSA-N 0 3 346.406 2.278 20 10 EECDHN COc1cccc(CNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1O ZINC000173844262 464321869 /nfs/dbraw/zinc/32/18/69/464321869.db2.gz VJFXLNOPXDJDQT-KBPBESRZSA-N 0 3 335.448 2.320 20 10 EECDHN COc1ccc(O)c(CN(C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000180619569 464350956 /nfs/dbraw/zinc/35/09/56/464350956.db2.gz GBTVVSOHAVPKQY-UHFFFAOYSA-N 0 3 340.379 2.129 20 10 EECDHN COc1cc([O-])c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000271835396 464393806 /nfs/dbraw/zinc/39/38/06/464393806.db2.gz FMPOECJCNCSLHC-CQSZACIVSA-N 0 3 349.402 2.489 20 10 EECDHN CN(C)c1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1F ZINC000285464259 464574092 /nfs/dbraw/zinc/57/40/92/464574092.db2.gz KCBIEFDWLBBXIB-OAHLLOKOSA-N 0 3 349.372 2.244 20 10 EECDHN COc1ccc(N2CCC(N[C@H]3CCN(C(C)C)C3=O)CC2)cc1 ZINC000364350378 466696141 /nfs/dbraw/zinc/69/61/41/466696141.db2.gz XPFRBZJMVVVIOR-SFHVURJKSA-N 0 3 331.460 2.263 20 10 EECDHN CCOC1CC(C[NH2+][C@@H](C)c2ccccc2[O-])(N2CCOCC2)C1 ZINC000193405854 528501254 /nfs/dbraw/zinc/50/12/54/528501254.db2.gz DZRVXVVPOCMYJD-LYGPFTKASA-N 0 3 334.460 2.313 20 10 EECDHN CN(C)CCOc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)cc1 ZINC000732007210 577142078 /nfs/dbraw/zinc/14/20/78/577142078.db2.gz XYKASDHKUKDRHW-BJMVGYQFSA-N 0 3 328.416 2.037 20 10 EECDHN CC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000771868298 577235301 /nfs/dbraw/zinc/23/53/01/577235301.db2.gz JWPJFWHPNXLYLC-HOTGVXAUSA-N 0 3 345.409 2.230 20 10 EECDHN C[C@H](NCC(=O)NC(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000775832955 577446868 /nfs/dbraw/zinc/44/68/68/577446868.db2.gz DCDBPGLHLXBQKJ-ZDUSSCGKSA-N 0 3 332.448 2.172 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1OC ZINC000776250355 577455607 /nfs/dbraw/zinc/45/56/07/577455607.db2.gz HDNYJAXJZOGPCH-AWEZNQCLSA-N 0 3 337.416 2.227 20 10 EECDHN COC(=O)CC1(NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000777440720 577478921 /nfs/dbraw/zinc/47/89/21/577478921.db2.gz JTTPEMHGSTUXMP-UHFFFAOYSA-N 0 3 336.407 2.238 20 10 EECDHN COC[C@](C)(O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765936826 577509431 /nfs/dbraw/zinc/50/94/31/577509431.db2.gz LVQZOVXMOREVJL-SUMWQHHRSA-N 0 3 342.867 2.225 20 10 EECDHN C[C@H]1C[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756736189 577849561 /nfs/dbraw/zinc/84/95/61/577849561.db2.gz LZVYHUUSUBJASY-JQWIXIFHSA-N 0 3 327.421 2.494 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756736190 577849563 /nfs/dbraw/zinc/84/95/63/577849563.db2.gz LZVYHUUSUBJASY-PWSUYJOCSA-N 0 3 327.421 2.494 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c([O-])c1 ZINC000756837661 577850849 /nfs/dbraw/zinc/85/08/49/577850849.db2.gz INADMEYTOCOCNB-WWGRRREGSA-N 0 3 328.416 2.279 20 10 EECDHN CCOc1cccc(CNCc2ccc3c(c2)C(=O)NCC3)c1O ZINC000757939493 577866895 /nfs/dbraw/zinc/86/68/95/577866895.db2.gz KYDISHRBSJXBIV-UHFFFAOYSA-N 0 3 326.396 2.367 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000743204866 577881716 /nfs/dbraw/zinc/88/17/16/577881716.db2.gz ZQWREDYTGSIOHS-UHFFFAOYSA-N 0 3 344.463 2.141 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cccc(O)c2)N(C)C)cc1 ZINC000891246716 676239641 /nfs/dbraw/zinc/23/96/41/676239641.db2.gz CHVDIDWYNSAPLD-IBGZPJMESA-N 0 3 341.455 2.420 20 10 EECDHN COC[C@H](C)[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247760 676242700 /nfs/dbraw/zinc/24/27/00/676242700.db2.gz KEJLWXXQKZHRMK-DAYGRLMNSA-N 0 3 335.492 2.390 20 10 EECDHN Cc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891255478 676252895 /nfs/dbraw/zinc/25/28/95/676252895.db2.gz QERDINFKTRUNQJ-IBGZPJMESA-N 0 3 340.471 2.418 20 10 EECDHN Cc1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000892502585 681251058 /nfs/dbraw/zinc/25/10/58/681251058.db2.gz MJMHSTBTIMPFKJ-KRWDZBQOSA-N 0 3 345.447 2.151 20 10 EECDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCOC1 ZINC000893242562 684227011 /nfs/dbraw/zinc/22/70/11/684227011.db2.gz YUPVWPXZZIEJMG-YXJHDRRASA-N 0 3 348.491 2.080 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cccn2C)N(C)C)cc1 ZINC000893349891 684808789 /nfs/dbraw/zinc/80/87/89/684808789.db2.gz CTIYHBSXBSVEQW-SFHVURJKSA-N 0 3 343.475 2.193 20 10 EECDHN CC(C)n1cc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898450333 693320009 /nfs/dbraw/zinc/32/00/09/693320009.db2.gz QFUXHLSEZUPDHK-SFHVURJKSA-N 0 3 330.480 2.318 20 10 EECDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H](C)O1 ZINC000899102272 693606066 /nfs/dbraw/zinc/60/60/66/693606066.db2.gz PMENBMHAJCMRKO-DAYGRLMNSA-N 0 3 348.491 2.174 20 10 EECDHN CCCCN1C(=O)C[C@@]2(CCCN(Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272903567 1193598478 /nfs/dbraw/zinc/59/84/78/1193598478.db2.gz WOWNFALPUMOPCS-LJQANCHMSA-N 0 3 346.427 2.239 20 10 EECDHN CCNC(=O)[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(C)C ZINC000873128177 1198508087 /nfs/dbraw/zinc/50/80/87/1198508087.db2.gz GBZOVLMLYKFZOQ-SFHVURJKSA-N 0 3 344.459 2.190 20 10 EECDHN CC(C)CC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000876713233 1199735134 /nfs/dbraw/zinc/73/51/34/1199735134.db2.gz HNOSNZVVOQSFBM-GOSISDBHSA-N 0 3 333.476 2.245 20 10 EECDHN OC1CCN(c2ccc(CN3CCN(C4CCC4)CC3)cc2)CC1 ZINC000876734270 1199746652 /nfs/dbraw/zinc/74/66/52/1199746652.db2.gz QRPYCLQKQVEPHQ-UHFFFAOYSA-N 0 3 329.488 2.318 20 10 EECDHN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000883014728 1201996430 /nfs/dbraw/zinc/99/64/30/1201996430.db2.gz ZDERSQMUUMEWTK-GFCCVEGCSA-N 0 3 326.387 2.261 20 10 EECDHN COc1ccc(N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC001274792295 1205169705 /nfs/dbraw/zinc/16/97/05/1205169705.db2.gz ZSLVKLWYLJCHAZ-UHFFFAOYSA-N 0 3 345.487 2.466 20 10 EECDHN Cc1c(O)ccc(CN2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1O ZINC001276118229 1205782248 /nfs/dbraw/zinc/78/22/48/1205782248.db2.gz SEEBROOAYSTOBQ-AEFFLSMTSA-N 0 3 332.444 2.234 20 10 EECDHN CCn1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000931915750 1207487426 /nfs/dbraw/zinc/48/74/26/1207487426.db2.gz JLWPMSQSWUTEQA-INIZCTEOSA-N 0 3 344.463 2.393 20 10 EECDHN O=C1c2cccc(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)c2C(=O)c2cccc([O-])c21 ZINC001218444318 1297666245 /nfs/dbraw/zinc/66/62/45/1297666245.db2.gz KXVRMNUVOKNHBY-REWMRKHYSA-N 0 3 335.359 2.297 20 10 EECDHN COc1cc(CN2CCC[C@H](Oc3nccc(C)n3)C2)c(O)cc1O ZINC001231641062 1303877574 /nfs/dbraw/zinc/87/75/74/1303877574.db2.gz YONFJQAYUSETPI-AWEZNQCLSA-N 0 3 345.399 2.248 20 10 EECDHN COC(=O)c1c(CN2C[C@H](C)N(C)C[C@H]2C)c2ccccc2n1C ZINC001232400086 1304107736 /nfs/dbraw/zinc/10/77/36/1304107736.db2.gz AETRITJGMSYGOC-UONOGXRCSA-N 0 3 329.444 2.489 20 10 EECDHN CN1CCN(c2ccc(CN3CCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000783668490 1304323042 /nfs/dbraw/zinc/32/30/42/1304323042.db2.gz RLCDOLJQBIYKKE-GOSISDBHSA-N 0 3 325.460 2.499 20 10 EECDHN COc1ccc(CCN(Cc2cc(O)c(O)c(O)c2)C[C@@H](C)O)cc1 ZINC001233010804 1304326515 /nfs/dbraw/zinc/32/65/15/1304326515.db2.gz URZQIUXVIBIILT-CYBMUJFWSA-N 0 3 347.411 2.238 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](C)CCC(=O)N(C)C)c1[O-] ZINC001233109573 1304362788 /nfs/dbraw/zinc/36/27/88/1304362788.db2.gz CERBRTOQMKWQQI-UHFFFAOYSA-N 0 3 329.238 2.373 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](C)CCC(=O)N(C)C)c1[O-] ZINC001233109573 1304362794 /nfs/dbraw/zinc/36/27/94/1304362794.db2.gz CERBRTOQMKWQQI-UHFFFAOYSA-N 0 3 329.238 2.373 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1Br ZINC001235169747 1305136623 /nfs/dbraw/zinc/13/66/23/1305136623.db2.gz KFFSAOQVBBAKET-IINYFYTJSA-N 0 3 327.222 2.086 20 10 EECDHN COc1cc(C)c(CN2CCN(c3cccc(OC)n3)CC2)c(O)c1 ZINC001236817161 1305689628 /nfs/dbraw/zinc/68/96/28/1305689628.db2.gz CIJORQYSCICMGN-UHFFFAOYSA-N 0 3 343.427 2.435 20 10 EECDHN COc1cc(CN2CC[C@@H](Oc3cccnc3)C2)c(O)c(OC)c1 ZINC001237675292 1306040754 /nfs/dbraw/zinc/04/07/54/1306040754.db2.gz DHXIBHYXWLEKLQ-OAHLLOKOSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc(CN2CCC(Oc3ncccn3)CC2)c(O)c(OC)c1 ZINC001237675168 1306040852 /nfs/dbraw/zinc/04/08/52/1306040852.db2.gz BCFRWRMBPIXFMM-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(CCNC3=O)C2)cc1Br ZINC001237682428 1306044158 /nfs/dbraw/zinc/04/41/58/1306044158.db2.gz XLSLFRDBEWDLLK-OAHLLOKOSA-N 0 3 339.233 2.175 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CC[C@]3(CCNC3=O)C2)cc1Br ZINC001237682428 1306044168 /nfs/dbraw/zinc/04/41/68/1306044168.db2.gz XLSLFRDBEWDLLK-OAHLLOKOSA-N 0 3 339.233 2.175 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)cc1Br ZINC001237682399 1306045571 /nfs/dbraw/zinc/04/55/71/1306045571.db2.gz RKUCQCGMFCOQEA-JQWIXIFHSA-N 0 3 339.233 2.031 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)cc1Br ZINC001237682399 1306045560 /nfs/dbraw/zinc/04/55/60/1306045560.db2.gz RKUCQCGMFCOQEA-JQWIXIFHSA-N 0 3 339.233 2.031 20 10 EECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(F)cc(C)c1[O-])C2 ZINC001238064055 1306206790 /nfs/dbraw/zinc/20/67/90/1306206790.db2.gz NUXKUIZBSLXWPB-CRAIPNDOSA-N 0 3 337.391 2.384 20 10 EECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(F)cc(C)c1[O-])C2 ZINC001238064055 1306206794 /nfs/dbraw/zinc/20/67/94/1306206794.db2.gz NUXKUIZBSLXWPB-CRAIPNDOSA-N 0 3 337.391 2.384 20 10 EECDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])cc(OC)cc1OC)C2 ZINC001141028839 1315020293 /nfs/dbraw/zinc/02/02/93/1315020293.db2.gz BPGLNMRUZVGQLM-XQQFMLRXSA-N 0 3 335.400 2.183 20 10 EECDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c([O-])cc(OC)cc1OC)C2 ZINC001141028839 1315020297 /nfs/dbraw/zinc/02/02/97/1315020297.db2.gz BPGLNMRUZVGQLM-XQQFMLRXSA-N 0 3 335.400 2.183 20 10 EECDHN CCN1CC[C@@]2(C[N@H+](Cc3c([O-])cc(OC)cc3OC)C[C@@H]2C)C1=O ZINC001141034447 1315021987 /nfs/dbraw/zinc/02/19/87/1315021987.db2.gz DGRAZKOSWVGDEV-DJJJIMSYSA-N 0 3 348.443 2.100 20 10 EECDHN CCN1CC[C@@]2(C[N@@H+](Cc3c([O-])cc(OC)cc3OC)C[C@@H]2C)C1=O ZINC001141034447 1315021989 /nfs/dbraw/zinc/02/19/89/1315021989.db2.gz DGRAZKOSWVGDEV-DJJJIMSYSA-N 0 3 348.443 2.100 20 10 EECDHN CN(C)C[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141074350 1315036337 /nfs/dbraw/zinc/03/63/37/1315036337.db2.gz GAIRERAPXIHBRQ-IBGZPJMESA-N 0 3 329.488 2.148 20 10 EECDHN CCn1ncc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000838943076 1315195851 /nfs/dbraw/zinc/19/58/51/1315195851.db2.gz GGULUAVHNJNGPE-HNNXBMFYSA-N 0 3 349.866 2.411 20 10 EECDHN [NH3+]C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC12CCOCC2 ZINC000843125407 1315849200 /nfs/dbraw/zinc/84/92/00/1315849200.db2.gz VSQZSFNUNJRCLA-LBPRGKRZSA-N 0 3 328.815 2.372 20 10 EECDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(N3CCCC3)cc2)O1 ZINC001204327859 1322113357 /nfs/dbraw/zinc/11/33/57/1322113357.db2.gz KQAKGICEEPRGCO-GUDVDZBRSA-N 0 3 343.471 2.107 20 10 EECDHN COCCOc1ccc(N2CCN(CCCn3cccn3)CC2)cc1 ZINC001208084746 1324307982 /nfs/dbraw/zinc/30/79/82/1324307982.db2.gz WZXFFNJGPXEAOZ-UHFFFAOYSA-N 0 3 344.459 2.121 20 10 EECDHN COc1ccc(N2CCN(C[C@H]3CCCC[C@H]3O)CC2)c(OC)c1 ZINC001308014206 1331557990 /nfs/dbraw/zinc/55/79/90/1331557990.db2.gz KTWHEAFPMULWAR-CRAIPNDOSA-N 0 3 334.460 2.377 20 10 EECDHN CCn1c([C@H]2CCCN(C)C2)nnc1N(C)Cc1ccccc1O ZINC001339833427 1337081710 /nfs/dbraw/zinc/08/17/10/1337081710.db2.gz XZFJQAXGKVFDTH-HNNXBMFYSA-N 0 3 329.448 2.449 20 10 EECDHN CO[C@@H](C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001355311762 1338705548 /nfs/dbraw/zinc/70/55/48/1338705548.db2.gz GKVRRMKIEFCTNR-YOEHRIQHSA-N 0 3 336.480 2.080 20 10 EECDHN C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000893968020 780349670 /nfs/dbraw/zinc/34/96/70/780349670.db2.gz MJERHAIOLSKRJY-KYJSFNMBSA-N 0 3 348.491 2.222 20 10 EECDHN CN(C)c1ccnc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000922478139 801143819 /nfs/dbraw/zinc/14/38/19/801143819.db2.gz PAUQWLXSQWVCQR-UHFFFAOYSA-N 0 3 340.471 2.399 20 10 EECDHN COc1ccc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c(OC)c1 ZINC001169042495 803583987 /nfs/dbraw/zinc/58/39/87/803583987.db2.gz FBUKXXIYOBFCTK-CABCVRRESA-N 0 3 349.431 2.271 20 10 EECDHN COc1ccc(N2CCCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)cc1 ZINC000787107715 807011193 /nfs/dbraw/zinc/01/11/93/807011193.db2.gz AJJIXLLZYPVVHY-IBGZPJMESA-N 0 3 343.471 2.361 20 10 EECDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000186082020 463934130 /nfs/dbraw/zinc/93/41/30/463934130.db2.gz UFWFFXHQJPRPRU-UKRRQHHQSA-N 0 3 328.416 2.280 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000186082020 463934134 /nfs/dbraw/zinc/93/41/34/463934134.db2.gz UFWFFXHQJPRPRU-UKRRQHHQSA-N 0 3 328.416 2.280 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](C)CCN2CCOCC2)c1[O-] ZINC000180023339 464225908 /nfs/dbraw/zinc/22/59/08/464225908.db2.gz IFLWSHPONLLGKX-UHFFFAOYSA-N 0 3 343.265 2.227 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](C)CCN2CCOCC2)c1[O-] ZINC000180023339 464225916 /nfs/dbraw/zinc/22/59/16/464225916.db2.gz IFLWSHPONLLGKX-UHFFFAOYSA-N 0 3 343.265 2.227 20 10 EECDHN COCC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000281211402 464372203 /nfs/dbraw/zinc/37/22/03/464372203.db2.gz JUAFXXMIQAZXPM-QGZVFWFLSA-N 0 3 331.412 2.458 20 10 EECDHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1CCOc1ccccc1 ZINC000174467902 464411145 /nfs/dbraw/zinc/41/11/45/464411145.db2.gz BUBKAPKIVWHZGS-MRXNPFEDSA-N 0 3 326.396 2.162 20 10 EECDHN CCN(CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-])S(C)(=O)=O ZINC000293655556 464415209 /nfs/dbraw/zinc/41/52/09/464415209.db2.gz IUSZJZCYHNRZRE-AWEZNQCLSA-N 0 3 328.478 2.331 20 10 EECDHN O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000174853535 464458509 /nfs/dbraw/zinc/45/85/09/464458509.db2.gz VMLPUCFZUFYRLR-MRXNPFEDSA-N 0 3 346.387 2.178 20 10 EECDHN O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000174853535 464458516 /nfs/dbraw/zinc/45/85/16/464458516.db2.gz VMLPUCFZUFYRLR-MRXNPFEDSA-N 0 3 346.387 2.178 20 10 EECDHN CO[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000281609744 464520157 /nfs/dbraw/zinc/52/01/57/464520157.db2.gz GMDRPFJTFKOAAH-CRAIPNDOSA-N 0 3 333.476 2.210 20 10 EECDHN CCC[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272273454 464546569 /nfs/dbraw/zinc/54/65/69/464546569.db2.gz BXPYJZCYYDGNSZ-ZENOOKHLSA-N 0 3 337.439 2.183 20 10 EECDHN COc1cccc(C[NH2+]CCn2cc(Br)cn2)c1[O-] ZINC000285560272 464608692 /nfs/dbraw/zinc/60/86/92/464608692.db2.gz SKAOYXGTRUGERI-UHFFFAOYSA-N 0 3 326.194 2.150 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285638771 464638512 /nfs/dbraw/zinc/63/85/12/464638512.db2.gz KTOUYSNLDAUENL-ZIAGYGMSSA-N 0 3 338.473 2.308 20 10 EECDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2Cc2ccc(N(C)C)cc2)O1 ZINC000282439585 464818686 /nfs/dbraw/zinc/81/86/86/464818686.db2.gz KUAOJSQLPSNOEE-ZSGPHXLJSA-N 0 3 332.444 2.436 20 10 EECDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1[O-] ZINC000376474254 466914912 /nfs/dbraw/zinc/91/49/12/466914912.db2.gz WKMPWXVCDWJSJO-UHFFFAOYSA-N 0 3 338.835 2.499 20 10 EECDHN CN1CC[C@]2(CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)C1 ZINC000292816566 490729483 /nfs/dbraw/zinc/72/94/83/490729483.db2.gz ANWOZQTZQAXKSM-FQEVSTJZSA-N 0 3 340.471 2.300 20 10 EECDHN COc1ccc(N2CCCN(C(=O)NC3CCN(C)CC3)CC2)cc1 ZINC000056794402 534003100 /nfs/dbraw/zinc/00/31/00/534003100.db2.gz VMIXPVGZYWDFDE-UHFFFAOYSA-N 0 3 346.475 2.011 20 10 EECDHN Oc1cc2c(cc1CN1CCCN(Cc3cscn3)CC1)OCO2 ZINC000093016357 534450104 /nfs/dbraw/zinc/45/01/04/534450104.db2.gz XCWBDTDPCOIQTD-UHFFFAOYSA-N 0 3 347.440 2.285 20 10 EECDHN O=C(c1ccc(C[NH2+]Cc2ccccc2[O-])cc1)N1CCOCC1 ZINC000725848363 576067385 /nfs/dbraw/zinc/06/73/85/576067385.db2.gz RLVZITLINUILEP-UHFFFAOYSA-N 0 3 326.396 2.154 20 10 EECDHN CN(C)C(=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850862 576070688 /nfs/dbraw/zinc/07/06/88/576070688.db2.gz HZVCJBFOWZMIRW-UHFFFAOYSA-N 0 3 334.420 2.153 20 10 EECDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776252089 577455666 /nfs/dbraw/zinc/45/56/66/577455666.db2.gz GUMRUTUKRKMLJZ-STQMWFEESA-N 0 3 341.249 2.467 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1[O-] ZINC000776520163 577461383 /nfs/dbraw/zinc/46/13/83/577461383.db2.gz ISSLJRKKPAICMR-INIZCTEOSA-N 0 3 345.823 2.237 20 10 EECDHN Cc1cc(C(=O)NC[C@]2(O)CCN(C)C2)c(C)n1-c1ccccc1C ZINC000762714795 577706370 /nfs/dbraw/zinc/70/63/70/577706370.db2.gz DCGJUSACNJSNRS-HXUWFJFHSA-N 0 3 341.455 2.199 20 10 EECDHN CO[C@@]1(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1 ZINC000763480337 577721724 /nfs/dbraw/zinc/72/17/24/577721724.db2.gz MEQHEAYKVXZFEO-GOSISDBHSA-N 0 3 349.431 2.480 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c([O-])c1 ZINC000756562348 577846837 /nfs/dbraw/zinc/84/68/37/577846837.db2.gz JZKXDCQSTCKICA-OAHLLOKOSA-N 0 3 333.476 2.294 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c([O-])c1 ZINC000756837667 577850895 /nfs/dbraw/zinc/85/08/95/577850895.db2.gz INADMEYTOCOCNB-XEZPLFJOSA-N 0 3 328.416 2.279 20 10 EECDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000745839175 577919482 /nfs/dbraw/zinc/91/94/82/577919482.db2.gz VHJZICFABISFMV-NVXWUHKLSA-N 0 3 328.460 2.345 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)CC3(C)C)CC2)cc1 ZINC000746678118 577932366 /nfs/dbraw/zinc/93/23/66/577932366.db2.gz LTYQRACSTYCJMZ-INIZCTEOSA-N 0 3 345.487 2.464 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)n(C)n2)N(C)C)cc1 ZINC000891246250 676238756 /nfs/dbraw/zinc/23/87/56/676238756.db2.gz BHBZTZTXWABSIC-OAHLLOKOSA-N 0 3 349.866 2.172 20 10 EECDHN Cc1nc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891251070 676247355 /nfs/dbraw/zinc/24/73/55/676247355.db2.gz CXGZRTOHHORDHV-INIZCTEOSA-N 0 3 330.432 2.390 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)COC2(C)CCC2)N(C)C)cc1 ZINC000891251857 676248535 /nfs/dbraw/zinc/24/85/35/676248535.db2.gz HPRYYKCPYGJPBA-KRWDZBQOSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccncc2)N(C)C)cc1 ZINC000891255846 676253178 /nfs/dbraw/zinc/25/31/78/676253178.db2.gz SPZIUGCNSNXQST-GOSISDBHSA-N 0 3 326.444 2.109 20 10 EECDHN CNC(=O)OC[C@H]1CCCCN1Cc1ccc(OC)c(OC)c1O ZINC000894513168 682938618 /nfs/dbraw/zinc/93/86/18/682938618.db2.gz DRACGESTHQUNEN-CYBMUJFWSA-N 0 3 338.404 2.120 20 10 EECDHN COc1cc(O)c(CN2CC[C@](CO)(C(F)(F)F)C2)cc1OC ZINC000895835896 684743351 /nfs/dbraw/zinc/74/33/51/684743351.db2.gz IAWNYBKXVDHYLC-AWEZNQCLSA-N 0 3 335.322 2.156 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2(C)COC2)N(C)C)cc1 ZINC000899097622 693601971 /nfs/dbraw/zinc/60/19/71/693601971.db2.gz CPBQMLGVENDHLL-QGZVFWFLSA-N 0 3 348.491 2.033 20 10 EECDHN CC(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618344 1190932881 /nfs/dbraw/zinc/93/28/81/1190932881.db2.gz GADGDJAVWRZCOK-LJQANCHMSA-N 0 3 330.428 2.389 20 10 EECDHN CC(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618344 1190932884 /nfs/dbraw/zinc/93/28/84/1190932884.db2.gz GADGDJAVWRZCOK-LJQANCHMSA-N 0 3 330.428 2.389 20 10 EECDHN Cc1cc(CN2CCC[C@@]23CCN(C2COC2)C3=O)ccc1N(C)C ZINC001273206515 1197537120 /nfs/dbraw/zinc/53/71/20/1197537120.db2.gz OUNZGNIUPGBJNB-FQEVSTJZSA-N 0 3 343.471 2.027 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000877009555 1199843681 /nfs/dbraw/zinc/84/36/81/1199843681.db2.gz RJMKQEAZNHWUBP-UHFFFAOYSA-N 0 3 335.425 2.273 20 10 EECDHN O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(F)ccc2[O-])C3)[nH]1 ZINC001275908927 1205581239 /nfs/dbraw/zinc/58/12/39/1205581239.db2.gz LDVAUWSRBRUIAL-DYVFJYSZSA-N 0 3 343.402 2.338 20 10 EECDHN O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cc(F)ccc2[O-])C3)[nH]1 ZINC001275908927 1205581240 /nfs/dbraw/zinc/58/12/40/1205581240.db2.gz LDVAUWSRBRUIAL-DYVFJYSZSA-N 0 3 343.402 2.338 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccncc2F)N(C)C)cc1 ZINC000930627182 1206571605 /nfs/dbraw/zinc/57/16/05/1206571605.db2.gz PFNHJRBFIMVSFF-QGZVFWFLSA-N 0 3 345.422 2.133 20 10 EECDHN COC[C@H](C)N1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009673269 1223328645 /nfs/dbraw/zinc/32/86/45/1223328645.db2.gz OVBPOYGQBUVLBP-SWLSCSKDSA-N 0 3 347.419 2.078 20 10 EECDHN CO[C@@H](C)CN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674511 1223328714 /nfs/dbraw/zinc/32/87/14/1223328714.db2.gz RWBWIJUMZKGGRO-WFASDCNBSA-N 0 3 347.419 2.078 20 10 EECDHN CCCN1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)[C@H]1C ZINC000900186439 1234074585 /nfs/dbraw/zinc/07/45/85/1234074585.db2.gz ZVQIFIYHKXHFRN-RHSMWYFYSA-N 0 3 346.475 2.418 20 10 EECDHN C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(F)ccc1[O-] ZINC000903373442 1240335810 /nfs/dbraw/zinc/33/58/10/1240335810.db2.gz WDPBQQYQPOFLLQ-GFCCVEGCSA-N 0 3 325.380 2.230 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@H](N)C3CCC3)cc2F)C[C@@H](C)O1 ZINC000827365071 1247965324 /nfs/dbraw/zinc/96/53/24/1247965324.db2.gz OMAYXFGHJRCYAS-SNUQEOBHSA-N 0 3 349.450 2.183 20 10 EECDHN O=C(NCC1CCOCC1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001186962993 1279328746 /nfs/dbraw/zinc/32/87/46/1279328746.db2.gz MKGAPFMZJSEFMF-UHFFFAOYSA-N 0 3 347.459 2.082 20 10 EECDHN CCN(C)C(=O)CO[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203936150 1285703104 /nfs/dbraw/zinc/70/31/04/1285703104.db2.gz JOAOOPORMZVPGE-SFHVURJKSA-N 0 3 333.476 2.212 20 10 EECDHN CCN1CCN(c2ccc(O[C@H]3CCNCC3(F)F)cc2)CC1 ZINC001218012418 1297548271 /nfs/dbraw/zinc/54/82/71/1297548271.db2.gz PLQHVXIWPPZRHG-INIZCTEOSA-N 0 3 325.403 2.205 20 10 EECDHN CCc1ccc(CN2C[C@H]3CC[C@@H](C2)N3COCCOC)c(O)c1 ZINC001276804594 1298006773 /nfs/dbraw/zinc/00/67/73/1298006773.db2.gz IHUXFUQXDLLHBI-HDICACEKSA-N 0 3 334.460 2.224 20 10 EECDHN Cc1cc(CN2CC[C@H]3C[C@]32C(=O)N2CC=CC2)ccc1N(C)C ZINC001276929139 1300314639 /nfs/dbraw/zinc/31/46/39/1300314639.db2.gz MEQZFEYOCHTRGT-FXAWDEMLSA-N 0 3 325.456 2.424 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c1[O-] ZINC001233291315 1304418773 /nfs/dbraw/zinc/41/87/73/1304418773.db2.gz VVINJCQOHLNEPG-FZMZJTMJSA-N 0 3 338.835 2.497 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c1[O-] ZINC001233291315 1304418774 /nfs/dbraw/zinc/41/87/74/1304418774.db2.gz VVINJCQOHLNEPG-FZMZJTMJSA-N 0 3 338.835 2.497 20 10 EECDHN COCC[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233483627 1304477431 /nfs/dbraw/zinc/47/74/31/1304477431.db2.gz GPDHAIMSKMRWMS-SCLBCKFNSA-N 0 3 337.416 2.211 20 10 EECDHN COCCN(Cc1cc(Br)c(C)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC001236336162 1305562774 /nfs/dbraw/zinc/56/27/74/1305562774.db2.gz SUUMKMPNUDQNMU-CYBMUJFWSA-N 0 3 343.265 2.273 20 10 EECDHN COc1cc(CN2C[C@@H](C)C[C@H]2CO)c(O)cc1Br ZINC001236748927 1305658349 /nfs/dbraw/zinc/65/83/49/1305658349.db2.gz WNXJGDJLVWAYBX-ONGXEEELSA-N 0 3 330.222 2.366 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@H](Oc3ncccn3)C2)cc1OC ZINC001236753877 1305659240 /nfs/dbraw/zinc/65/92/40/1305659240.db2.gz QSQXCQBBXGHWPL-CQSZACIVSA-N 0 3 345.399 2.243 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@H](Oc3cnccn3)C2)cc1OC ZINC001236753459 1305659522 /nfs/dbraw/zinc/65/95/22/1305659522.db2.gz OADYWXXJLWBISD-CQSZACIVSA-N 0 3 345.399 2.243 20 10 EECDHN COc1cc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237669190 1306038713 /nfs/dbraw/zinc/03/87/13/1306038713.db2.gz KHYRWVYVPMRWAL-PWSUYJOCSA-N 0 3 335.322 2.012 20 10 EECDHN CC[C@@H](C)C[C@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001121926179 1310175182 /nfs/dbraw/zinc/17/51/82/1310175182.db2.gz KCOUPHHGHAMTJH-CJNGLKHVSA-N 0 3 337.439 2.246 20 10 EECDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834540751 1314848548 /nfs/dbraw/zinc/84/85/48/1314848548.db2.gz IQOBNJJEEGDFCE-INIZCTEOSA-N 0 3 346.452 2.256 20 10 EECDHN CN1CCOc2cc(CN3CCC(NC(=O)C4CC4)CC3)ccc21 ZINC001141142775 1315048950 /nfs/dbraw/zinc/04/89/50/1315048950.db2.gz ASFQFPSQVPFJCJ-UHFFFAOYSA-N 0 3 329.444 2.006 20 10 EECDHN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cc(O)ccc3O)O2)n1 ZINC001141159348 1315051195 /nfs/dbraw/zinc/05/11/95/1315051195.db2.gz AWXMJQXVPIWACD-BMFZPTHFSA-N 0 3 331.372 2.284 20 10 EECDHN Cc1cc(N(C)C)ccc1CN[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000840935483 1315440430 /nfs/dbraw/zinc/44/04/30/1315440430.db2.gz QWEBKVGKHAWNSF-KDOFPFPSSA-N 0 3 341.459 2.078 20 10 EECDHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841101411 1315475788 /nfs/dbraw/zinc/47/57/88/1315475788.db2.gz KAGTXGRMUUEGOT-UHFFFAOYSA-N 0 3 346.475 2.178 20 10 EECDHN CC[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)NCc1cccs1 ZINC000842750466 1315767044 /nfs/dbraw/zinc/76/70/44/1315767044.db2.gz QHJXULADOONZOS-CYBMUJFWSA-N 0 3 348.424 2.367 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253637198 1317901481 /nfs/dbraw/zinc/90/14/81/1317901481.db2.gz YVGKHCUMADODMN-LJQANCHMSA-N 0 3 329.396 2.318 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253637198 1317901486 /nfs/dbraw/zinc/90/14/86/1317901486.db2.gz YVGKHCUMADODMN-LJQANCHMSA-N 0 3 329.396 2.318 20 10 EECDHN Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4ccc(O)cc4[O-])C[C@@H]3C2)nn1 ZINC001204273247 1322098531 /nfs/dbraw/zinc/09/85/31/1322098531.db2.gz LQKCBOBFAKSCGG-GDBMZVCRSA-N 0 3 340.427 2.155 20 10 EECDHN Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4ccc(O)cc4[O-])C[C@@H]3C2)nn1 ZINC001204273247 1322098536 /nfs/dbraw/zinc/09/85/36/1322098536.db2.gz LQKCBOBFAKSCGG-GDBMZVCRSA-N 0 3 340.427 2.155 20 10 EECDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205725474 1323269095 /nfs/dbraw/zinc/26/90/95/1323269095.db2.gz IEVDMLIBGRCVKR-HNNXBMFYSA-N 0 3 343.265 2.139 20 10 EECDHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccc(N)cc2)cc1 ZINC001335724063 1336418463 /nfs/dbraw/zinc/41/84/63/1336418463.db2.gz FIVUSQUYJUNCSB-SFHVURJKSA-N 0 3 342.443 2.380 20 10 EECDHN CN1CCN(c2ccc(C[NH2+]Cc3ccc(C(=O)[O-])o3)cc2F)CC1 ZINC001610137307 1352171654 /nfs/dbraw/zinc/17/16/54/1352171654.db2.gz LWLUDFCGJIKITF-UHFFFAOYSA-N 0 3 347.390 2.159 20 10 EECDHN COCC[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000798940371 1371622113 /nfs/dbraw/zinc/62/21/13/1371622113.db2.gz GFVQESVCAGZHTK-ZIAGYGMSSA-N 0 3 342.867 2.225 20 10 EECDHN COC1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001123617738 1372162831 /nfs/dbraw/zinc/16/28/31/1372162831.db2.gz XTBMPJBSFZLHJY-GOSISDBHSA-N 0 3 348.491 2.176 20 10 EECDHN CCc1cccc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1[O-] ZINC000848917246 1373194168 /nfs/dbraw/zinc/19/41/68/1373194168.db2.gz QCYFEGWEDKFJJG-MRXNPFEDSA-N 0 3 335.444 2.460 20 10 EECDHN CCN(CCO)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000183986516 782408501 /nfs/dbraw/zinc/40/85/01/782408501.db2.gz CIJSSOVFZFBLJN-UHFFFAOYSA-N 0 3 329.444 2.138 20 10 EECDHN C[C@@H]1CCN(Cc2ccc(I)cc2[O-])CC[NH2+]1 ZINC001210495722 757978265 /nfs/dbraw/zinc/97/82/65/757978265.db2.gz AXPDZMJHKFFTLS-SNVBAGLBSA-N 0 3 346.212 2.181 20 10 EECDHN CCN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920868893 770890495 /nfs/dbraw/zinc/89/04/95/770890495.db2.gz DWQZFWJKVYGRCG-JKSUJKDBSA-N 0 3 333.476 2.431 20 10 EECDHN O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824828093 788331165 /nfs/dbraw/zinc/33/11/65/788331165.db2.gz LBCOTNPFEZLISJ-WCQYABFASA-N 0 3 328.334 2.235 20 10 EECDHN O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824828093 788331173 /nfs/dbraw/zinc/33/11/73/788331173.db2.gz LBCOTNPFEZLISJ-WCQYABFASA-N 0 3 328.334 2.235 20 10 EECDHN CN1CCN(c2ccc(CNc3cnccc3-n3ccnn3)cc2)CC1 ZINC000808425574 812622315 /nfs/dbraw/zinc/62/23/15/812622315.db2.gz ZVMRKTADWCHKRA-UHFFFAOYSA-N 0 3 349.442 2.026 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](O)C23CCCC3)cc1 ZINC000292633272 529780048 /nfs/dbraw/zinc/78/00/48/529780048.db2.gz GXHRLCGVALAXBH-GOSISDBHSA-N 0 3 345.487 2.090 20 10 EECDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCOCC3)nc1)CC2 ZINC000296214711 465118734 /nfs/dbraw/zinc/11/87/34/465118734.db2.gz ZOJNXPQMNHYKPQ-INIZCTEOSA-N 0 3 325.412 2.401 20 10 EECDHN Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCC(=O)N1C ZINC000297224814 465249437 /nfs/dbraw/zinc/24/94/37/465249437.db2.gz HKVIPNOEFXBFIZ-PJIJBLCYSA-N 0 3 340.427 2.065 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]C1CCC(O)(c3cccnc3)CC1)OCO2 ZINC000185696108 463863922 /nfs/dbraw/zinc/86/39/22/463863922.db2.gz UZMLWERGQDHPFN-UHFFFAOYSA-N 0 3 342.395 2.436 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000194454083 463865574 /nfs/dbraw/zinc/86/55/74/463865574.db2.gz HYLTZPHRHRWAPJ-CYBMUJFWSA-N 0 3 334.441 2.241 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCN3)cc2F)C[C@@H](C)O1 ZINC000269260827 463931145 /nfs/dbraw/zinc/93/11/45/463931145.db2.gz WHPHSBTVZCZHTH-CKEIUWERSA-N 0 3 349.450 2.198 20 10 EECDHN COc1ccc(O)c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000271779468 464383288 /nfs/dbraw/zinc/38/32/88/464383288.db2.gz GMTIVNVTLOEPJG-QGZVFWFLSA-N 0 3 326.396 2.292 20 10 EECDHN CN(C)c1ccc(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1 ZINC000294694887 464577646 /nfs/dbraw/zinc/57/76/46/464577646.db2.gz BZJSSFSUEJKUPR-MRXNPFEDSA-N 0 3 337.464 2.070 20 10 EECDHN C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cc(F)ccc1[O-] ZINC000285600895 464625190 /nfs/dbraw/zinc/62/51/90/464625190.db2.gz ILNKXAAABMFZCA-WCQYABFASA-N 0 3 342.436 2.139 20 10 EECDHN Cc1ccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c([O-])c1O ZINC000182317707 464626862 /nfs/dbraw/zinc/62/68/62/464626862.db2.gz LJAWGHKENJAROP-UHFFFAOYSA-N 0 3 344.411 2.277 20 10 EECDHN COC1CCN(c2ccc(CN[C@H](C(N)=O)C(C)(C)C)cc2)CC1 ZINC000294952656 464660591 /nfs/dbraw/zinc/66/05/91/464660591.db2.gz MQOIAGNKBMOUJZ-QGZVFWFLSA-N 0 3 333.476 2.291 20 10 EECDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000295105710 464708245 /nfs/dbraw/zinc/70/82/45/464708245.db2.gz KYLMYUCSWMNUMH-ATCWAGBWSA-N 0 3 348.399 2.076 20 10 EECDHN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273399809 464713429 /nfs/dbraw/zinc/71/34/29/464713429.db2.gz MVTIQKIJOYYHGH-CQSZACIVSA-N 0 3 340.489 2.474 20 10 EECDHN Cc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c([O-])c1O ZINC000182981046 464771146 /nfs/dbraw/zinc/77/11/46/464771146.db2.gz VFCQGQBIOUYSSP-UHFFFAOYSA-N 0 3 341.411 2.448 20 10 EECDHN C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000184288196 464962532 /nfs/dbraw/zinc/96/25/32/464962532.db2.gz NNTXULMHEQKIIS-MZFXBISCSA-N 0 3 328.453 2.080 20 10 EECDHN C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000282851235 464974019 /nfs/dbraw/zinc/97/40/19/464974019.db2.gz UBXJSYNGHYWVRK-OAHLLOKOSA-N 0 3 349.471 2.480 20 10 EECDHN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000299628729 465833088 /nfs/dbraw/zinc/83/30/88/465833088.db2.gz LJNXIEHFIDOJEP-IXDOHACOSA-N 0 3 345.487 2.401 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000363845172 466635717 /nfs/dbraw/zinc/63/57/17/466635717.db2.gz ANGGELASOKKOIY-JCGVRSQUSA-N 0 3 331.416 2.072 20 10 EECDHN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)no1 ZINC000373112720 466696381 /nfs/dbraw/zinc/69/63/81/466696381.db2.gz MXGNRZASAIZTIR-UHFFFAOYSA-N 0 3 333.363 2.222 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CCCC23CCN(C)CC3)ccc1[N+](=O)[O-] ZINC000377267725 467049969 /nfs/dbraw/zinc/04/99/69/467049969.db2.gz QTNARZZVNAMZBN-UHFFFAOYSA-N 0 3 335.404 2.369 20 10 EECDHN COc1c([O-])c(C[N@H+]2CCCC23CCN(C)CC3)ccc1[N+](=O)[O-] ZINC000377267725 467049976 /nfs/dbraw/zinc/04/99/76/467049976.db2.gz QTNARZZVNAMZBN-UHFFFAOYSA-N 0 3 335.404 2.369 20 10 EECDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000090018533 527869495 /nfs/dbraw/zinc/86/94/95/527869495.db2.gz OXTDLKOAAOGJRC-RDTXWAMCSA-N 0 3 341.459 2.332 20 10 EECDHN CCCC(=O)NC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000101905910 527935015 /nfs/dbraw/zinc/93/50/15/527935015.db2.gz TWPFXIWCNCNAOK-CYBMUJFWSA-N 0 3 334.416 2.249 20 10 EECDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000101905910 527935016 /nfs/dbraw/zinc/93/50/16/527935016.db2.gz TWPFXIWCNCNAOK-CYBMUJFWSA-N 0 3 334.416 2.249 20 10 EECDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000101905910 527935022 /nfs/dbraw/zinc/93/50/22/527935022.db2.gz TWPFXIWCNCNAOK-CYBMUJFWSA-N 0 3 334.416 2.249 20 10 EECDHN CCOC(=O)CN(C)C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205677 577156664 /nfs/dbraw/zinc/15/66/64/577156664.db2.gz WZDLAZCFDZECOH-UHFFFAOYSA-N 0 3 348.443 2.158 20 10 EECDHN CCOC(=O)CN(C)C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205677 577156665 /nfs/dbraw/zinc/15/66/65/577156665.db2.gz WZDLAZCFDZECOH-UHFFFAOYSA-N 0 3 348.443 2.158 20 10 EECDHN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774487296 577400880 /nfs/dbraw/zinc/40/08/80/577400880.db2.gz YXQPXSYGGDPQFZ-UONOGXRCSA-N 0 3 334.464 2.274 20 10 EECDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000776869275 577469132 /nfs/dbraw/zinc/46/91/32/577469132.db2.gz WTBZYZUXNGWTSD-YYWXWVFPSA-N 0 3 339.407 2.490 20 10 EECDHN COc1cccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c1O ZINC000765663390 577504625 /nfs/dbraw/zinc/50/46/25/577504625.db2.gz PCDDVVWSKVUKBY-HNNXBMFYSA-N 0 3 333.432 2.217 20 10 EECDHN COC(=O)C[C@]1(NCc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000766459406 577519751 /nfs/dbraw/zinc/51/97/51/577519751.db2.gz VNOMBPUEUVAVCX-LJQANCHMSA-N 0 3 332.444 2.489 20 10 EECDHN CCOc1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)c([O-])c1 ZINC000768197763 577551970 /nfs/dbraw/zinc/55/19/70/577551970.db2.gz MDRMTMDTCAMUFT-UHFFFAOYSA-N 0 3 333.476 2.004 20 10 EECDHN CN1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H](c2ccccc2)C1 ZINC000768439275 577555604 /nfs/dbraw/zinc/55/56/04/577555604.db2.gz JUOFXMOXWBYNOD-HKUYNNGSSA-N 0 3 340.423 2.307 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)OCc1ccccc13)[C@@H](O)CO2 ZINC000769778044 577584058 /nfs/dbraw/zinc/58/40/58/577584058.db2.gz QENQCIZFQJZVNX-ICSRJNTNSA-N 0 3 339.391 2.449 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(C1)OCc1ccccc13)[C@@H](O)CO2 ZINC000769778044 577584059 /nfs/dbraw/zinc/58/40/59/577584059.db2.gz QENQCIZFQJZVNX-ICSRJNTNSA-N 0 3 339.391 2.449 20 10 EECDHN Cc1ccc([C@@H](O)CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000741261633 578115796 /nfs/dbraw/zinc/11/57/96/578115796.db2.gz PUYKMLXKCGPQMK-KRWDZBQOSA-N 0 3 334.391 2.387 20 10 EECDHN C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756407887 578236887 /nfs/dbraw/zinc/23/68/87/578236887.db2.gz GPYKCCGMHDJVME-ZDUSSCGKSA-N 0 3 327.419 2.349 20 10 EECDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnccn1 ZINC000891248573 676242810 /nfs/dbraw/zinc/24/28/10/676242810.db2.gz ZDVAEARZXBLSQY-KBXCAEBGSA-N 0 3 341.459 2.065 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccnc2F)N(C)C)cc1 ZINC000891249379 676243777 /nfs/dbraw/zinc/24/37/77/676243777.db2.gz RYIIFHHMHOLCHU-MRXNPFEDSA-N 0 3 330.407 2.319 20 10 EECDHN O=C(CN1CCCCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051093442 676588019 /nfs/dbraw/zinc/58/80/19/676588019.db2.gz HMDCOUZOARZMTC-UHFFFAOYSA-N 0 3 349.450 2.155 20 10 EECDHN CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[C@@H]3CCCN4C)ccc21 ZINC000892491679 681203439 /nfs/dbraw/zinc/20/34/39/681203439.db2.gz FAWNKWUYGPOYHQ-MOPGFXCFSA-N 0 3 342.487 2.447 20 10 EECDHN COCC[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892604256 681938282 /nfs/dbraw/zinc/93/82/82/681938282.db2.gz QGOGPECINKDKLT-PBHICJAKSA-N 0 3 336.480 2.080 20 10 EECDHN COc1ccc(CN[C@@H](C)C(=O)Nc2cccnc2C)c(O)c1OC ZINC000894812257 683107201 /nfs/dbraw/zinc/10/72/01/683107201.db2.gz ZVMPSZFIAMFPSA-LBPRGKRZSA-N 0 3 345.399 2.230 20 10 EECDHN CSC[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893099988 683751497 /nfs/dbraw/zinc/75/14/97/683751497.db2.gz WQRRWUGYGVWHSE-XJKSGUPXSA-N 0 3 338.521 2.406 20 10 EECDHN COc1cccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c1O ZINC001272625871 1190937401 /nfs/dbraw/zinc/93/74/01/1190937401.db2.gz PDJSXVPHBKVORI-CHWSQXEVSA-N 0 3 340.370 2.231 20 10 EECDHN COc1ccc(O)c(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c1 ZINC001272639280 1190946770 /nfs/dbraw/zinc/94/67/70/1190946770.db2.gz YCTZTDLTTKJSPG-ZIAGYGMSSA-N 0 3 340.370 2.231 20 10 EECDHN CNS(=O)(=O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000865707911 1198340940 /nfs/dbraw/zinc/34/09/40/1198340940.db2.gz YQMLWWYRINBRAQ-UHFFFAOYSA-N 0 3 334.441 2.088 20 10 EECDHN Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(O)c1 ZINC000876576676 1199677187 /nfs/dbraw/zinc/67/71/87/1199677187.db2.gz PJZLDDFXXZUILC-UHFFFAOYSA-N 0 3 328.372 2.326 20 10 EECDHN CC(C)(C)N1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877081851 1199859689 /nfs/dbraw/zinc/85/96/89/1199859689.db2.gz IXNKVQKDVBSTRS-MRXNPFEDSA-N 0 3 345.487 2.137 20 10 EECDHN CN1CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@H](CO)C1 ZINC000877644358 1200003359 /nfs/dbraw/zinc/00/33/59/1200003359.db2.gz OMWMGKHDTOXIKO-SFHVURJKSA-N 0 3 342.439 2.080 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c([O-])c1 ZINC000883370451 1202054797 /nfs/dbraw/zinc/05/47/97/1202054797.db2.gz LNZXQWVYMXQRKW-ROUUACIJSA-N 0 3 347.503 2.148 20 10 EECDHN CCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC3COC3)CC2)c([O-])c1 ZINC001274654914 1205117873 /nfs/dbraw/zinc/11/78/73/1205117873.db2.gz HNWIOUOBHMHBSZ-QGZVFWFLSA-N 0 3 344.455 2.072 20 10 EECDHN CN1CC[C@]2(CC[N@H+](Cc3c([O-])cccc3OC(F)(F)F)C2)C1=O ZINC001274823504 1205177093 /nfs/dbraw/zinc/17/70/93/1205177093.db2.gz VKBSFFKLNMDGNM-OAHLLOKOSA-N 0 3 344.333 2.345 20 10 EECDHN CN1CC[C@]2(CC[N@@H+](Cc3c([O-])cccc3OC(F)(F)F)C2)C1=O ZINC001274823504 1205177096 /nfs/dbraw/zinc/17/70/96/1205177096.db2.gz VKBSFFKLNMDGNM-OAHLLOKOSA-N 0 3 344.333 2.345 20 10 EECDHN COc1ccc(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c([O-])c1 ZINC001275275097 1205296488 /nfs/dbraw/zinc/29/64/88/1205296488.db2.gz ALIAKODBHNDQJN-UHFFFAOYSA-N 0 3 342.443 2.222 20 10 EECDHN COc1ccc(C[N@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c([O-])c1 ZINC001275275097 1205296490 /nfs/dbraw/zinc/29/64/90/1205296490.db2.gz ALIAKODBHNDQJN-UHFFFAOYSA-N 0 3 342.443 2.222 20 10 EECDHN CC=CC[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185309 1234073384 /nfs/dbraw/zinc/07/33/84/1234073384.db2.gz JVCVITMHKVMXTL-QVOWHETESA-N 0 3 344.459 2.242 20 10 EECDHN CCC1(CC)NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900186361 1234074166 /nfs/dbraw/zinc/07/41/66/1234074166.db2.gz YVSNVNHEAFVIRJ-INIZCTEOSA-N 0 3 346.475 2.466 20 10 EECDHN COc1cc(Cl)cc(C[N@H+](CCOCCO)C2CCC2)c1[O-] ZINC000827204097 1250712685 /nfs/dbraw/zinc/71/26/85/1250712685.db2.gz LREYJBFSMHIEOS-UHFFFAOYSA-N 0 3 329.824 2.418 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+](CCOCCO)C2CCC2)c1[O-] ZINC000827204097 1250712691 /nfs/dbraw/zinc/71/26/91/1250712691.db2.gz LREYJBFSMHIEOS-UHFFFAOYSA-N 0 3 329.824 2.418 20 10 EECDHN CCN1CCC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000903391865 1240376087 /nfs/dbraw/zinc/37/60/87/1240376087.db2.gz IPYFUZKUFOJEQR-YOEHRIQHSA-N 0 3 349.450 2.324 20 10 EECDHN Cc1cc(O[C@@H]2C[NH2+]C[C@H]2C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218034766 1297552749 /nfs/dbraw/zinc/55/27/49/1297552749.db2.gz XGWZFXVKRMWKNK-BDJLRTHQSA-N 0 3 337.375 2.463 20 10 EECDHN Cc1ccc(CN2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NC(C)(C)C)c(O)c1 ZINC001277569266 1303923159 /nfs/dbraw/zinc/92/31/59/1303923159.db2.gz WSFBNCVACOIKLM-IDCNUPLLSA-N 0 3 346.471 2.329 20 10 EECDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C2 ZINC001235682190 1305325001 /nfs/dbraw/zinc/32/50/01/1305325001.db2.gz OTKXLDBDBARENG-YLJYHZDGSA-N 0 3 346.471 2.417 20 10 EECDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C2 ZINC001235682190 1305325016 /nfs/dbraw/zinc/32/50/16/1305325016.db2.gz OTKXLDBDBARENG-YLJYHZDGSA-N 0 3 346.471 2.417 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001237489012 1305956437 /nfs/dbraw/zinc/95/64/37/1305956437.db2.gz UFNHYRXOHQMUEU-LJQANCHMSA-N 0 3 340.427 2.063 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001237489012 1305956442 /nfs/dbraw/zinc/95/64/42/1305956442.db2.gz UFNHYRXOHQMUEU-LJQANCHMSA-N 0 3 340.427 2.063 20 10 EECDHN COc1cc(CN2CC[C@@H](Oc3ncncc3C)C2)c(O)c(OC)c1 ZINC001237683404 1306043635 /nfs/dbraw/zinc/04/36/35/1306043635.db2.gz HJSLCXHCHUCWRZ-CQSZACIVSA-N 0 3 345.399 2.161 20 10 EECDHN CCN(C)C(=O)CO[C@@H]1CCCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238066230 1306207914 /nfs/dbraw/zinc/20/79/14/1306207914.db2.gz KATGOVSFNROAER-MRXNPFEDSA-N 0 3 338.423 2.299 20 10 EECDHN CCO[C@@H]1C[C@@](N)(C(=O)N[C@H](C)c2cc(OC)ccc2O)C1(C)C ZINC000828667891 1314469363 /nfs/dbraw/zinc/46/93/63/1314469363.db2.gz VXOGQODVNGJKFZ-PZDGAKPMSA-N 0 3 336.432 2.111 20 10 EECDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(N(C)C)cc2C)C1(C)C ZINC000829764498 1314514074 /nfs/dbraw/zinc/51/40/74/1314514074.db2.gz NDBYYLGEEQFCQP-APWZRJJASA-N 0 3 333.476 2.210 20 10 EECDHN CCOC(=O)C1(C)CC[NH+](Cc2ccc(CC(=O)OC)cc2[O-])CC1 ZINC001249201027 1317021285 /nfs/dbraw/zinc/02/12/85/1317021285.db2.gz BPTIZMAWHYWKSG-UHFFFAOYSA-N 0 3 349.427 2.273 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H](N4CCOCC4)C3)ccc2O1 ZINC001249244802 1317031751 /nfs/dbraw/zinc/03/17/51/1317031751.db2.gz NHBZOVYZEKYGNA-INIZCTEOSA-N 0 3 344.455 2.483 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H](N4CCOCC4)C3)ccc2O1 ZINC001249244802 1317031762 /nfs/dbraw/zinc/03/17/62/1317031762.db2.gz NHBZOVYZEKYGNA-INIZCTEOSA-N 0 3 344.455 2.483 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC001249736980 1317159595 /nfs/dbraw/zinc/15/95/95/1317159595.db2.gz FHHMWOFWRBMNOH-HNNXBMFYSA-N 0 3 337.416 2.335 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC001249736980 1317159599 /nfs/dbraw/zinc/15/95/99/1317159599.db2.gz FHHMWOFWRBMNOH-HNNXBMFYSA-N 0 3 337.416 2.335 20 10 EECDHN Cc1cc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c([O-])cc1Br ZINC001250120591 1317215358 /nfs/dbraw/zinc/21/53/58/1317215358.db2.gz JYGBOJYEMQKANB-OAHLLOKOSA-N 0 3 339.233 2.175 20 10 EECDHN Cc1cc(C[N@H+]2CC[C@]3(CCNC3=O)C2)c([O-])cc1Br ZINC001250120591 1317215366 /nfs/dbraw/zinc/21/53/66/1317215366.db2.gz JYGBOJYEMQKANB-OAHLLOKOSA-N 0 3 339.233 2.175 20 10 EECDHN O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N1CCc2cccc(O)c2C1 ZINC001160872102 1320298737 /nfs/dbraw/zinc/29/87/37/1320298737.db2.gz HLJYZYOSTRGZJJ-YPMHNXCESA-N 0 3 328.334 2.207 20 10 EECDHN O=C(c1cccc(O)c1[O-])N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161591738 1320550866 /nfs/dbraw/zinc/55/08/66/1320550866.db2.gz XUOQTVSSPFPHPJ-UHFFFAOYSA-N 0 3 338.407 2.375 20 10 EECDHN CCOc1cccc(CN2CC[C@H](Oc3ncc(OC)cn3)C2)c1O ZINC001203617867 1321924295 /nfs/dbraw/zinc/92/42/95/1321924295.db2.gz WGECUGROMOKNLC-AWEZNQCLSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(CN2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203634569 1321929314 /nfs/dbraw/zinc/92/93/14/1321929314.db2.gz MCBIEICITMFHGX-ZFWWWQNUSA-N 0 3 334.416 2.452 20 10 EECDHN CN(C)c1ccc(CN2CCC(C(=O)N3CCC(=O)CC3)CC2)cc1 ZINC001203934023 1321994442 /nfs/dbraw/zinc/99/44/42/1321994442.db2.gz KCHWJYDOSDFLAN-UHFFFAOYSA-N 0 3 343.471 2.156 20 10 EECDHN OCc1cn([C@@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001261245354 1322050111 /nfs/dbraw/zinc/05/01/11/1322050111.db2.gz YQDKEMIBZBKMMP-LJQANCHMSA-N 0 3 341.459 2.208 20 10 EECDHN O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275083 1322101260 /nfs/dbraw/zinc/10/12/60/1322101260.db2.gz WRNUWPYXXDUUNG-LJQANCHMSA-N 0 3 330.428 2.322 20 10 EECDHN O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275083 1322101263 /nfs/dbraw/zinc/10/12/63/1322101263.db2.gz WRNUWPYXXDUUNG-LJQANCHMSA-N 0 3 330.428 2.322 20 10 EECDHN Cc1cnc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC001333582097 1336079600 /nfs/dbraw/zinc/07/96/00/1336079600.db2.gz ZXYRQSSAHMEYMS-MRXNPFEDSA-N 0 3 346.500 2.479 20 10 EECDHN CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963552 1349083180 /nfs/dbraw/zinc/08/31/80/1349083180.db2.gz LAZWDSKBKNBVPR-ZIAGYGMSSA-N 0 3 344.463 2.343 20 10 EECDHN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CCCN(C)C2)cc1F ZINC000115813516 529781263 /nfs/dbraw/zinc/78/12/63/529781263.db2.gz JPGHEJGMBLJHTC-HNNXBMFYSA-N 0 3 336.455 2.375 20 10 EECDHN COC(=O)C[C@@](C)(NCc1cccc(OC)c1O)c1ccncc1 ZINC000191906944 533665532 /nfs/dbraw/zinc/66/55/32/533665532.db2.gz BLVWTNWGPNZVOI-GOSISDBHSA-N 0 3 330.384 2.364 20 10 EECDHN Cc1cc([O-])c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)cc1Br ZINC001237677320 782025762 /nfs/dbraw/zinc/02/57/62/782025762.db2.gz LRVUUSWATQHRDN-GFCCVEGCSA-N 0 3 346.265 2.417 20 10 EECDHN Cc1cc([O-])c(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)cc1Br ZINC001237677320 782025767 /nfs/dbraw/zinc/02/57/67/782025767.db2.gz LRVUUSWATQHRDN-GFCCVEGCSA-N 0 3 346.265 2.417 20 10 EECDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092456528 462952860 /nfs/dbraw/zinc/95/28/60/462952860.db2.gz MVAVJFVHZLFUQY-KRWDZBQOSA-N 0 3 332.444 2.298 20 10 EECDHN COc1c([O-])c(C[NH2+]C2CCN(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000278634277 463975139 /nfs/dbraw/zinc/97/51/39/463975139.db2.gz HFZMLGWOUDQFBW-UHFFFAOYSA-N 0 3 335.404 2.416 20 10 EECDHN COc1c([O-])c(CNC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000278634277 463975147 /nfs/dbraw/zinc/97/51/47/463975147.db2.gz HFZMLGWOUDQFBW-UHFFFAOYSA-N 0 3 335.404 2.416 20 10 EECDHN Cc1cc(O)c(CN2CCC[C@H](N3CCCS3(=O)=O)C2)cc1C ZINC000278719123 463977196 /nfs/dbraw/zinc/97/71/96/463977196.db2.gz KNLUYSNHVJMEEW-INIZCTEOSA-N 0 3 338.473 2.009 20 10 EECDHN Oc1cc2c(cc1CNCc1ccnc(N3CCCC3)c1)OCO2 ZINC000263681897 464150286 /nfs/dbraw/zinc/15/02/86/464150286.db2.gz MSXXHHJCNULARU-UHFFFAOYSA-N 0 3 327.384 2.406 20 10 EECDHN CC[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1ccc(C)cc1[O-] ZINC000279935413 464166067 /nfs/dbraw/zinc/16/60/67/464166067.db2.gz AYKQVMMVCRHOEH-OAHLLOKOSA-N 0 3 328.478 2.413 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC[NH2+]C1 ZINC000236919250 464238599 /nfs/dbraw/zinc/23/85/99/464238599.db2.gz QVHMZBZHBNBING-JTQLQIEISA-N 0 3 327.222 2.113 20 10 EECDHN C[C@H](CC[S@](C)=O)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271476587 464319151 /nfs/dbraw/zinc/31/91/51/464319151.db2.gz JUNLMICLDKJTPO-CSTKLKAISA-N 0 3 342.480 2.470 20 10 EECDHN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000292869976 464371496 /nfs/dbraw/zinc/37/14/96/464371496.db2.gz WIJRZFLIWPLILL-AEFFLSMTSA-N 0 3 349.427 2.191 20 10 EECDHN COCCC[N@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000188934207 464399281 /nfs/dbraw/zinc/39/92/81/464399281.db2.gz DXSLAFRXTIYGIM-UHFFFAOYSA-N 0 3 332.238 2.294 20 10 EECDHN COCCC[N@@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000188934207 464399285 /nfs/dbraw/zinc/39/92/85/464399285.db2.gz DXSLAFRXTIYGIM-UHFFFAOYSA-N 0 3 332.238 2.294 20 10 EECDHN COc1cc([O-])c(C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000294023188 464430219 /nfs/dbraw/zinc/43/02/19/464430219.db2.gz VBUPJNHYHUVCME-INIZCTEOSA-N 0 3 331.412 2.445 20 10 EECDHN COc1cc([O-])c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000294023188 464430224 /nfs/dbraw/zinc/43/02/24/464430224.db2.gz VBUPJNHYHUVCME-INIZCTEOSA-N 0 3 331.412 2.445 20 10 EECDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000189391884 464491741 /nfs/dbraw/zinc/49/17/41/464491741.db2.gz PLAQZHSTAAZJEC-KBPBESRZSA-N 0 3 337.439 2.180 20 10 EECDHN CC(C)(C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1)C(N)=O ZINC000294697106 464577936 /nfs/dbraw/zinc/57/79/36/464577936.db2.gz CSSNQZJLYQECME-LBPRGKRZSA-N 0 3 334.416 2.235 20 10 EECDHN CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1)C(N)=O ZINC000294697106 464577943 /nfs/dbraw/zinc/57/79/43/464577943.db2.gz CSSNQZJLYQECME-LBPRGKRZSA-N 0 3 334.416 2.235 20 10 EECDHN CN(Cc1cccs1)c1ccc(CNCC2(CO)COC2)cc1 ZINC000295808216 464971481 /nfs/dbraw/zinc/97/14/81/464971481.db2.gz TWQSOKHDAWVBLH-UHFFFAOYSA-N 0 3 332.469 2.483 20 10 EECDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC2(CCOCC2)O1 ZINC000369315334 466725860 /nfs/dbraw/zinc/72/58/60/466725860.db2.gz SMRVPVOSSGLPAT-KRWDZBQOSA-N 0 3 346.471 2.293 20 10 EECDHN c1nc2n(c1CNCc1ccc(N3CCOCC3)cc1)CCCC2 ZINC000376769433 466931700 /nfs/dbraw/zinc/93/17/00/466931700.db2.gz SHROOGZUKYAFFZ-UHFFFAOYSA-N 0 3 326.444 2.346 20 10 EECDHN C[C@H](O)C[C@H]1CCCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298384956 525818134 /nfs/dbraw/zinc/81/81/34/525818134.db2.gz DLOWYSBRAQIFLU-QFBILLFUSA-N 0 3 347.503 2.384 20 10 EECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000725843672 576062929 /nfs/dbraw/zinc/06/29/29/576062929.db2.gz BSKGGPYPHBZQIH-INIZCTEOSA-N 0 3 346.427 2.465 20 10 EECDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)Cn1cccn1 ZINC000731844563 577127599 /nfs/dbraw/zinc/12/75/99/577127599.db2.gz KANHDIDCLQPLJO-INIZCTEOSA-N 0 3 327.384 2.245 20 10 EECDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000775131310 577430684 /nfs/dbraw/zinc/43/06/84/577430684.db2.gz VKCLURNRECUUPN-CHWSQXEVSA-N 0 3 331.368 2.211 20 10 EECDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000775534745 577439065 /nfs/dbraw/zinc/43/90/65/577439065.db2.gz HUTVZUYCRUNBPA-UHOFOFEASA-N 0 3 328.416 2.360 20 10 EECDHN CCn1cc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000775699462 577443143 /nfs/dbraw/zinc/44/31/43/577443143.db2.gz DQUNLIOPLWYAJS-UHFFFAOYSA-N 0 3 327.476 2.287 20 10 EECDHN COC1CCN(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776238827 577455452 /nfs/dbraw/zinc/45/54/52/577455452.db2.gz PSUXEPKMCHDLPH-HNNXBMFYSA-N 0 3 348.491 2.224 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1[O-] ZINC000776252567 577455687 /nfs/dbraw/zinc/45/56/87/577455687.db2.gz GNLXBIXEONSABZ-LBPRGKRZSA-N 0 3 348.262 2.130 20 10 EECDHN CCN(CC)c1ccc(CN2CCC(NC(=O)COC)CC2)cc1 ZINC000768885131 577564918 /nfs/dbraw/zinc/56/49/18/577564918.db2.gz SVMJSUCMPFTCTR-UHFFFAOYSA-N 0 3 333.476 2.260 20 10 EECDHN C[C@H](N[C@H](CO)CC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000760036205 577656137 /nfs/dbraw/zinc/65/61/37/577656137.db2.gz DFRUTHYSOMTULS-AAEUAGOBSA-N 0 3 332.366 2.329 20 10 EECDHN COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761214107 577679412 /nfs/dbraw/zinc/67/94/12/577679412.db2.gz DUGBRZHRNVJMLT-OAHLLOKOSA-N 0 3 331.796 2.112 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c2c1c(F)ccc2[O-] ZINC000756788426 577850218 /nfs/dbraw/zinc/85/02/18/577850218.db2.gz ULRGYDHCWYKOHN-REJLFOLJSA-N 0 3 336.407 2.305 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000757704120 577862788 /nfs/dbraw/zinc/86/27/88/577862788.db2.gz XBOKJZLTGSDHLP-RDTXWAMCSA-N 0 3 330.476 2.343 20 10 EECDHN CO[C@@](C)(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891246238 676238328 /nfs/dbraw/zinc/23/83/28/676238328.db2.gz BCGVPGGLTBSMKS-IEBWSBKVSA-N 0 3 333.476 2.287 20 10 EECDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cncnc1 ZINC000891246738 676240088 /nfs/dbraw/zinc/24/00/88/676240088.db2.gz CMWPSPFNDFOZPP-KBXCAEBGSA-N 0 3 341.459 2.065 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/[C@H]2CCCO2)N(C)C)cc1 ZINC000891246929 676242148 /nfs/dbraw/zinc/24/21/48/676242148.db2.gz FQFGMYCPOYJTKU-HGFSOSMJSA-N 0 3 331.460 2.207 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CC[C@@H]2CCCO2)N(C)C)cc1 ZINC000891256003 676252138 /nfs/dbraw/zinc/25/21/38/676252138.db2.gz VEBNYMJDLQULJP-ZWKOTPCHSA-N 0 3 333.476 2.431 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1[O-] ZINC000895748902 684707370 /nfs/dbraw/zinc/70/73/70/684707370.db2.gz OLHHYPIAJNDJPH-KBPBESRZSA-N 0 3 344.249 2.483 20 10 EECDHN O=C(N1CCOCC1)C1([NH2+]Cc2cc(F)ccc2[O-])CCCCC1 ZINC000897893642 691814853 /nfs/dbraw/zinc/81/48/53/691814853.db2.gz VFNKDVLHVMPADX-UHFFFAOYSA-N 0 3 336.407 2.183 20 10 EECDHN Nc1ccc(CCNC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000841960803 1188208896 /nfs/dbraw/zinc/20/88/96/1188208896.db2.gz XDHKXUHEXUPLGO-UHFFFAOYSA-N 0 3 330.476 2.471 20 10 EECDHN COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(O)ccc1O ZINC001272386621 1190796132 /nfs/dbraw/zinc/79/61/32/1190796132.db2.gz OOOSYXDCBANNSD-HZPDHXFCSA-N 0 3 348.443 2.088 20 10 EECDHN CCOc1ccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)c([O-])c1 ZINC000865683172 1198331493 /nfs/dbraw/zinc/33/14/93/1198331493.db2.gz QFXZQMIEEWHELT-ZDUSSCGKSA-N 0 3 330.310 2.276 20 10 EECDHN CCOc1ccc(CNC[C@H](n2cncn2)C(F)(F)F)c(O)c1 ZINC000865683172 1198331498 /nfs/dbraw/zinc/33/14/98/1198331498.db2.gz QFXZQMIEEWHELT-ZDUSSCGKSA-N 0 3 330.310 2.276 20 10 EECDHN C[C@H](NCC(=O)Nc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000878357868 1200418120 /nfs/dbraw/zinc/41/81/20/1200418120.db2.gz HQVJEJJIAKOXFC-HNNXBMFYSA-N 0 3 340.427 2.208 20 10 EECDHN COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879647866 1201193437 /nfs/dbraw/zinc/19/34/37/1201193437.db2.gz OKYUFUPBRNWHHM-UKRRQHHQSA-N 0 3 345.395 2.269 20 10 EECDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000866441302 1201518223 /nfs/dbraw/zinc/51/82/23/1201518223.db2.gz YYWBHIZRQLVEHB-VWYCJHECSA-N 0 3 342.823 2.071 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000883369923 1202054829 /nfs/dbraw/zinc/05/48/29/1202054829.db2.gz CLVYRPXQSRXKQK-MJGOQNOKSA-N 0 3 347.503 2.230 20 10 EECDHN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H](N)CC2CC2)cc1 ZINC000884304981 1202288751 /nfs/dbraw/zinc/28/87/51/1202288751.db2.gz ICMQTQQRUAGALT-RTBURBONSA-N 0 3 345.487 2.388 20 10 EECDHN CN1CC[C@]2(CC[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C2)C1=O ZINC001274174721 1204434078 /nfs/dbraw/zinc/43/40/78/1204434078.db2.gz OVRZMACGLFKUIT-OAHLLOKOSA-N 0 3 328.334 2.465 20 10 EECDHN CN1CC[C@]2(CC[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C2)C1=O ZINC001274174721 1204434080 /nfs/dbraw/zinc/43/40/80/1204434080.db2.gz OVRZMACGLFKUIT-OAHLLOKOSA-N 0 3 328.334 2.465 20 10 EECDHN COc1ccc(N2CCC3(CCN(CCN(C)C)C3=O)CC2)cc1 ZINC001274790465 1205163307 /nfs/dbraw/zinc/16/33/07/1205163307.db2.gz IFXYYPNLMMMRGA-UHFFFAOYSA-N 0 3 331.460 2.076 20 10 EECDHN CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246852254 1213338735 /nfs/dbraw/zinc/33/87/35/1213338735.db2.gz PCQGQFDUDWKSFA-QZTJIDSGSA-N 0 3 337.460 2.407 20 10 EECDHN CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246852254 1213338736 /nfs/dbraw/zinc/33/87/36/1213338736.db2.gz PCQGQFDUDWKSFA-QZTJIDSGSA-N 0 3 337.460 2.407 20 10 EECDHN C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000903234568 1240062668 /nfs/dbraw/zinc/06/26/68/1240062668.db2.gz OEVFBRCLEMCMFB-KCQAQPDRSA-N 0 3 326.462 2.151 20 10 EECDHN CNC(=O)NC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC001234569130 1304972727 /nfs/dbraw/zinc/97/27/27/1304972727.db2.gz JZCASTSNXAEPBS-UHFFFAOYSA-N 0 3 343.427 2.447 20 10 EECDHN CCc1ccc(CN2CC3(CN(Cc4cccc(=O)[nH]4)C3)C2)c(O)c1 ZINC001276805086 1298019093 /nfs/dbraw/zinc/01/90/93/1298019093.db2.gz QWGONSQHRLOSFR-UHFFFAOYSA-N 0 3 339.439 2.373 20 10 EECDHN O=C([C@H]1CCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2)N1CC=CC1 ZINC001277196514 1301766490 /nfs/dbraw/zinc/76/64/90/1301766490.db2.gz JGMUWTSPNZJYGN-XLIONFOSSA-N 0 3 342.439 2.488 20 10 EECDHN O=C([C@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2)N1CC=CC1 ZINC001277196514 1301766494 /nfs/dbraw/zinc/76/64/94/1301766494.db2.gz JGMUWTSPNZJYGN-XLIONFOSSA-N 0 3 342.439 2.488 20 10 EECDHN COc1cc(CN2CCC3(CC(F)(F)CO3)CC2)c(O)cc1O ZINC001231633202 1303872246 /nfs/dbraw/zinc/87/22/46/1303872246.db2.gz KUTYYTJFAXKYCY-UHFFFAOYSA-N 0 3 329.343 2.497 20 10 EECDHN CCOC(=O)c1c(CN2CCC[C@H](C(N)=O)C2)c2ccccc2n1C ZINC001233270462 1304412574 /nfs/dbraw/zinc/41/25/74/1304412574.db2.gz OTZACDUAGSOSBF-ZDUSSCGKSA-N 0 3 343.427 2.052 20 10 EECDHN Oc1cc(O)c(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1O ZINC001233484242 1304477396 /nfs/dbraw/zinc/47/73/96/1304477396.db2.gz DADBEPYVAWIRFK-SPYBWZPUSA-N 0 3 349.427 2.352 20 10 EECDHN CC(C)(O)CN1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233775933 1304588768 /nfs/dbraw/zinc/58/87/68/1304588768.db2.gz GYHVZYCWFUWFON-UHFFFAOYSA-N 0 3 348.365 2.179 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1Br ZINC001235997727 1305471072 /nfs/dbraw/zinc/47/10/72/1305471072.db2.gz ZHMHPEBDKVNXAI-IINYFYTJSA-N 0 3 327.222 2.086 20 10 EECDHN COc1cc(C)c(CN2CC3CC2(C(=O)N2CCCC2)C3)c(O)c1 ZINC001236811688 1305685472 /nfs/dbraw/zinc/68/54/72/1305685472.db2.gz RNFJFKIOZPWVCH-UHFFFAOYSA-N 0 3 330.428 2.296 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001237042886 1305774569 /nfs/dbraw/zinc/77/45/69/1305774569.db2.gz LVCJNDNJPKUPQH-IBGZPJMESA-N 0 3 340.427 2.436 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001237042886 1305774580 /nfs/dbraw/zinc/77/45/80/1305774580.db2.gz LVCJNDNJPKUPQH-IBGZPJMESA-N 0 3 340.427 2.436 20 10 EECDHN C[NH+]1CCC(CN2CCN(Cc3c(F)ccc(F)c3[O-])CC2)CC1 ZINC001139687890 1314759078 /nfs/dbraw/zinc/75/90/78/1314759078.db2.gz TVBLEIIUWLWNFC-UHFFFAOYSA-N 0 3 339.430 2.130 20 10 EECDHN Cc1ccc(O)c(CN2CCC[C@@H](NC(=O)c3cccnc3)C2)c1 ZINC001140624322 1314916913 /nfs/dbraw/zinc/91/69/13/1314916913.db2.gz QPVOJZQSYALUTO-QGZVFWFLSA-N 0 3 325.412 2.490 20 10 EECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000840935482 1315440642 /nfs/dbraw/zinc/44/06/42/1315440642.db2.gz QWEBKVGKHAWNSF-KBXCAEBGSA-N 0 3 341.459 2.078 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c([O-])c1 ZINC001249201531 1317023277 /nfs/dbraw/zinc/02/32/77/1317023277.db2.gz WRDXPCWONSFGJA-INIZCTEOSA-N 0 3 326.396 2.492 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c([O-])c1 ZINC001249201531 1317023283 /nfs/dbraw/zinc/02/32/83/1317023283.db2.gz WRDXPCWONSFGJA-INIZCTEOSA-N 0 3 326.396 2.492 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC(n3cccn3)CC2)c([O-])c1 ZINC001249214932 1317025265 /nfs/dbraw/zinc/02/52/65/1317025265.db2.gz SKCHISKIBUJVSW-UHFFFAOYSA-N 0 3 329.400 2.141 20 10 EECDHN COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@H]1C(=O)OC ZINC001257721317 1319058586 /nfs/dbraw/zinc/05/85/86/1319058586.db2.gz SQTIULFDCCTJHE-CTHBEMJXSA-N 0 3 335.400 2.174 20 10 EECDHN NCc1cnccc1Nc1cccc2c1C(=O)c1cccc(N)c1C2=O ZINC001159784319 1319990133 /nfs/dbraw/zinc/99/01/33/1319990133.db2.gz ZUDYXDPNZZOSLX-UHFFFAOYSA-N 0 3 344.374 2.063 20 10 EECDHN O=C(NC1CCC1)[C@H]1COC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203553058 1321910874 /nfs/dbraw/zinc/91/08/74/1321910874.db2.gz ZWHFYDQFULGCLZ-MRXNPFEDSA-N 0 3 344.455 2.432 20 10 EECDHN COc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c([O-])c1 ZINC001203621369 1321924442 /nfs/dbraw/zinc/92/44/42/1321924442.db2.gz BWDFBNDUDKLLAF-ROUUACIJSA-N 0 3 339.439 2.360 20 10 EECDHN COc1ccc(O)c(CN2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c1 ZINC001203683773 1321940262 /nfs/dbraw/zinc/94/02/62/1321940262.db2.gz CDYWQGYFZFWYLF-OAHLLOKOSA-N 0 3 345.399 2.161 20 10 EECDHN [O-]c1c(F)cccc1C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001276537891 1324000346 /nfs/dbraw/zinc/00/03/46/1324000346.db2.gz OXRUSERMEAWSFS-UHFFFAOYSA-N 0 3 344.434 2.326 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2N)N(C)C)cc1 ZINC001345636130 1337454626 /nfs/dbraw/zinc/45/46/26/1337454626.db2.gz BWYULMUDMDUZLK-LJQANCHMSA-N 0 3 340.471 2.296 20 10 EECDHN CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963550 1349083346 /nfs/dbraw/zinc/08/33/46/1349083346.db2.gz LAZWDSKBKNBVPR-UONOGXRCSA-N 0 3 344.463 2.343 20 10 EECDHN Cc1ccc(CN2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c(O)c1 ZINC001140952316 1372726096 /nfs/dbraw/zinc/72/60/96/1372726096.db2.gz MWNQHVNHBGTQPG-LJQANCHMSA-N 0 3 345.443 2.288 20 10 EECDHN CCc1cccc(CN2CCC(N(CC)S(C)(=O)=O)CC2)c1O ZINC000848883845 1373192155 /nfs/dbraw/zinc/19/21/55/1373192155.db2.gz DOXXNNDCELPHIQ-UHFFFAOYSA-N 0 3 340.489 2.201 20 10 EECDHN COC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000893785715 780187701 /nfs/dbraw/zinc/18/77/01/780187701.db2.gz KGBCOSRWBMCTFG-QZTJIDSGSA-N 0 3 348.491 2.080 20 10 EECDHN CCN1CC[C@@H](N2CCN(c3ccc(OC)cc3C)CC2)CC1=O ZINC001172053127 796842338 /nfs/dbraw/zinc/84/23/38/796842338.db2.gz OQLJIGOUEWYDNU-MRXNPFEDSA-N 0 3 331.460 2.137 20 10 EECDHN COCCCNC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000092361834 237033857 /nfs/dbraw/zinc/03/38/57/237033857.db2.gz GZEQEOLKSNCMIH-UHFFFAOYSA-N 0 3 333.476 2.117 20 10 EECDHN CCn1nccc1N1CCC[C@H](NCc2cccc(C)c2O)C1=O ZINC000191621811 237262091 /nfs/dbraw/zinc/26/20/91/237262091.db2.gz PXJHIWHTPAMLKZ-HNNXBMFYSA-N 0 3 328.416 2.202 20 10 EECDHN CCn1nccc1N1CCC[C@H]([NH2+]Cc2cccc(C)c2[O-])C1=O ZINC000191621811 237262099 /nfs/dbraw/zinc/26/20/99/237262099.db2.gz PXJHIWHTPAMLKZ-HNNXBMFYSA-N 0 3 328.416 2.202 20 10 EECDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H]1CCOC1 ZINC000088683930 274906355 /nfs/dbraw/zinc/90/63/55/274906355.db2.gz TYHPPAWFUGKBLC-CYBMUJFWSA-N 0 3 330.350 2.421 20 10 EECDHN CN(C)c1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1F ZINC000131106263 462792803 /nfs/dbraw/zinc/79/28/03/462792803.db2.gz RUAUNKVNKQXKGC-KRWDZBQOSA-N 0 3 335.467 2.436 20 10 EECDHN CCN1CCN(C(=O)CC2CC[NH+](Cc3ccccc3[O-])CC2)CC1 ZINC000179571034 464159134 /nfs/dbraw/zinc/15/91/34/464159134.db2.gz UUOIOVUAIMDVLK-UHFFFAOYSA-N 0 3 345.487 2.158 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000235835426 464212178 /nfs/dbraw/zinc/21/21/78/464212178.db2.gz KXSCZZNIGRIBLC-CQSZACIVSA-N 0 3 327.222 2.160 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000235835426 464212184 /nfs/dbraw/zinc/21/21/84/464212184.db2.gz KXSCZZNIGRIBLC-CQSZACIVSA-N 0 3 327.222 2.160 20 10 EECDHN CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000180910083 464419031 /nfs/dbraw/zinc/41/90/31/464419031.db2.gz JQHLQWQDCDFUQX-UHFFFAOYSA-N 0 3 344.452 2.071 20 10 EECDHN CNS(=O)(=O)c1cccc(CN[C@H](C)c2cc(C)ccc2O)c1 ZINC000273435581 464714711 /nfs/dbraw/zinc/71/47/11/464714711.db2.gz WUTYTLGFILJTRV-CYBMUJFWSA-N 0 3 334.441 2.460 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000282505173 464843921 /nfs/dbraw/zinc/84/39/21/464843921.db2.gz RJBKATXGJOFLFO-MRXNPFEDSA-N 0 3 348.403 2.160 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000282505173 464843925 /nfs/dbraw/zinc/84/39/25/464843925.db2.gz RJBKATXGJOFLFO-MRXNPFEDSA-N 0 3 348.403 2.160 20 10 EECDHN O[C@@H]1c2ccccc2OC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000367285280 466238815 /nfs/dbraw/zinc/23/88/15/466238815.db2.gz CUNWYJHXFVENDK-UYAOXDASSA-N 0 3 340.423 2.107 20 10 EECDHN COc1ccc(N2CCN(CCCNCc3nccs3)CC2)cc1 ZINC000727463925 576428305 /nfs/dbraw/zinc/42/83/05/576428305.db2.gz IBKUUYOIINXFDP-UHFFFAOYSA-N 0 3 346.500 2.454 20 10 EECDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)C2CC2)c1[O-] ZINC000732668623 577187616 /nfs/dbraw/zinc/18/76/16/577187616.db2.gz KNFRWMBBFZESIJ-CQSZACIVSA-N 0 3 330.222 2.414 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)c1 ZINC000775371509 577436015 /nfs/dbraw/zinc/43/60/15/577436015.db2.gz ZDDPBZGQIBSOMF-LBPRGKRZSA-N 0 3 327.446 2.266 20 10 EECDHN CC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000775534746 577439050 /nfs/dbraw/zinc/43/90/50/577439050.db2.gz HUTVZUYCRUNBPA-VBNZEHGJSA-N 0 3 328.416 2.360 20 10 EECDHN Cc1nn(C)c(C)c1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830107 577446817 /nfs/dbraw/zinc/44/68/17/577446817.db2.gz CTTCWDNUUBCBRC-LBPRGKRZSA-N 0 3 329.448 2.392 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@H](c3nnc(C)o3)C2)cc1OC ZINC000768445312 577555944 /nfs/dbraw/zinc/55/59/44/577555944.db2.gz RLKQPSXBTBWGCZ-GFCCVEGCSA-N 0 3 333.388 2.480 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)cc1OC ZINC000768445312 577555945 /nfs/dbraw/zinc/55/59/45/577555945.db2.gz RLKQPSXBTBWGCZ-GFCCVEGCSA-N 0 3 333.388 2.480 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](c3nnc(C)o3)C2)cc1OC ZINC000768445312 577555946 /nfs/dbraw/zinc/55/59/46/577555946.db2.gz RLKQPSXBTBWGCZ-GFCCVEGCSA-N 0 3 333.388 2.480 20 10 EECDHN COC(=O)c1cn([C@@H]2CCCN(Cc3cc(C)cc(C)c3O)C2)nn1 ZINC000762465511 577701586 /nfs/dbraw/zinc/70/15/86/577701586.db2.gz ZACZHEJIGDQPCZ-OAHLLOKOSA-N 0 3 344.415 2.224 20 10 EECDHN C[C@H]1C[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756389178 577843167 /nfs/dbraw/zinc/84/31/67/577843167.db2.gz AZZHHKGPUTVTQT-GWCFXTLKSA-N 0 3 342.436 2.093 20 10 EECDHN CC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)N1CCOCC1 ZINC000756649501 577847995 /nfs/dbraw/zinc/84/79/95/577847995.db2.gz PNGHSXBKIYIIEW-UBHSHLNASA-N 0 3 336.407 2.307 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000757704119 577862771 /nfs/dbraw/zinc/86/27/71/577862771.db2.gz XBOKJZLTGSDHLP-KSSFIOAISA-N 0 3 330.476 2.343 20 10 EECDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccnn1C ZINC000891250547 676245474 /nfs/dbraw/zinc/24/54/74/676245474.db2.gz WUXAXDAEVONJPS-KBXCAEBGSA-N 0 3 343.475 2.009 20 10 EECDHN Cc1ccncc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251103 676247519 /nfs/dbraw/zinc/24/75/19/676247519.db2.gz DVTOOOAUZYBXHE-SFHVURJKSA-N 0 3 326.444 2.489 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC23CCOCC3)N(C)C)cc1 ZINC000891253057 676249134 /nfs/dbraw/zinc/24/91/34/676249134.db2.gz PTGWFHIFTQPBAX-ZWKOTPCHSA-N 0 3 345.487 2.288 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)N(C)C)cc1 ZINC000891254776 676251821 /nfs/dbraw/zinc/25/18/21/676251821.db2.gz JERXOEVURNHTPM-HNNXBMFYSA-N 0 3 345.403 2.022 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2=CCCOC2)N(C)C)cc1 ZINC000894861065 683222423 /nfs/dbraw/zinc/22/24/23/683222423.db2.gz OPDTZSQXAMVBLG-GOSISDBHSA-N 0 3 346.475 2.001 20 10 EECDHN CC[C@@H](COC)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893114024 683795302 /nfs/dbraw/zinc/79/53/02/683795302.db2.gz SXFGTHKYJJJJRI-RDJZCZTQSA-N 0 3 336.480 2.080 20 10 EECDHN COc1ccc(CNCC(=O)N2CCc3ccccc32)c(O)c1OC ZINC000895963009 684788901 /nfs/dbraw/zinc/78/89/01/684788901.db2.gz FQYXSQYCJOEARR-UHFFFAOYSA-N 0 3 342.395 2.088 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4OCCN(C)[C@H]4C3)c2c1 ZINC000128908386 1177436136 /nfs/dbraw/zinc/43/61/36/1177436136.db2.gz AYRGUBNRNCRCMH-HKUYNNGSSA-N 0 3 328.412 2.069 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4OCCN(C)[C@H]4C3)c2c1 ZINC000128908386 1177436141 /nfs/dbraw/zinc/43/61/41/1177436141.db2.gz AYRGUBNRNCRCMH-HKUYNNGSSA-N 0 3 328.412 2.069 20 10 EECDHN CC(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618342 1190933012 /nfs/dbraw/zinc/93/30/12/1190933012.db2.gz GADGDJAVWRZCOK-IBGZPJMESA-N 0 3 330.428 2.389 20 10 EECDHN CC(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618342 1190933014 /nfs/dbraw/zinc/93/30/14/1190933014.db2.gz GADGDJAVWRZCOK-IBGZPJMESA-N 0 3 330.428 2.389 20 10 EECDHN O=C1N(CC2CCOCC2)CC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618700 1190933252 /nfs/dbraw/zinc/93/32/52/1190933252.db2.gz NKMGHPNDCHAGCP-FQEVSTJZSA-N 0 3 344.455 2.243 20 10 EECDHN O=C1N(CC2CCOCC2)CC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618700 1190933254 /nfs/dbraw/zinc/93/32/54/1190933254.db2.gz NKMGHPNDCHAGCP-FQEVSTJZSA-N 0 3 344.455 2.243 20 10 EECDHN CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625274 1190936977 /nfs/dbraw/zinc/93/69/77/1190936977.db2.gz JNYADAWKOBUWMG-IFXJQAMLSA-N 0 3 348.443 2.003 20 10 EECDHN CC[C@H](C)N1C[C@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625274 1190936979 /nfs/dbraw/zinc/93/69/79/1190936979.db2.gz JNYADAWKOBUWMG-IFXJQAMLSA-N 0 3 348.443 2.003 20 10 EECDHN COCCN1CCCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034545658 1196373208 /nfs/dbraw/zinc/37/32/08/1196373208.db2.gz YYPFHCVBOSSSTR-OAHLLOKOSA-N 0 3 347.419 2.080 20 10 EECDHN CC(C)CC[C@@H](N)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000876740655 1199749408 /nfs/dbraw/zinc/74/94/08/1199749408.db2.gz KQTRYCJSFOASMZ-CRAIPNDOSA-N 0 3 333.476 2.464 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CCC(C)C)CC2)cc1F ZINC000876782135 1199771862 /nfs/dbraw/zinc/77/18/62/1199771862.db2.gz OZDJCGOJKHPWAC-INIZCTEOSA-N 0 3 337.439 2.246 20 10 EECDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000877126911 1199866355 /nfs/dbraw/zinc/86/63/55/1199866355.db2.gz WCBNASHDRQAXAO-JKSUJKDBSA-N 0 3 346.393 2.439 20 10 EECDHN CCN(CC)c1ccc(CN(C)C(=O)CNC[C@H]2CCCO2)cc1 ZINC000826019853 1200244538 /nfs/dbraw/zinc/24/45/38/1200244538.db2.gz LMYWKAYFWVUPKO-GOSISDBHSA-N 0 3 333.476 2.260 20 10 EECDHN CN1CCN(c2ncccc2C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882926816 1201977708 /nfs/dbraw/zinc/97/77/08/1201977708.db2.gz BLZSJPILJHYUMX-UHFFFAOYSA-N 0 3 348.397 2.107 20 10 EECDHN Cc1cc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)nn1C ZINC000883290134 1202041329 /nfs/dbraw/zinc/04/13/29/1202041329.db2.gz LIJFYRYHPIIMNL-INIZCTEOSA-N 0 3 327.476 2.331 20 10 EECDHN COCCCN1CC[C@@]2(CC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274304204 1204991690 /nfs/dbraw/zinc/99/16/90/1204991690.db2.gz RFHFIWRQFFHQEG-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN COCCCN1CC[C@@]2(CC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274304204 1204991691 /nfs/dbraw/zinc/99/16/91/1204991691.db2.gz RFHFIWRQFFHQEG-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924719284 1206023358 /nfs/dbraw/zinc/02/33/58/1206023358.db2.gz VKSHGZSIDGSEQE-RHSMWYFYSA-N 0 3 344.459 2.220 20 10 EECDHN CCn1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000929374288 1206469593 /nfs/dbraw/zinc/46/95/93/1206469593.db2.gz DFWYBKXDLXDOAX-KRWDZBQOSA-N 0 3 344.463 2.393 20 10 EECDHN C[C@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1ccccc1[O-] ZINC000903181275 1239952671 /nfs/dbraw/zinc/95/26/71/1239952671.db2.gz OOXSAWCYPPKYIY-AWEZNQCLSA-N 0 3 326.396 2.464 20 10 EECDHN CC(C)(C)c1cc([O-])c(CN2CCN[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235065730 1305103802 /nfs/dbraw/zinc/10/38/02/1305103802.db2.gz YEZYKTJVZYCVMU-GOSISDBHSA-N 0 3 337.895 2.480 20 10 EECDHN CCNC(=O)C1(CNCc2cc(F)c(N(C)C)cc2F)CCC1 ZINC000858160734 1294028132 /nfs/dbraw/zinc/02/81/32/1294028132.db2.gz NTXUZBQLPNCBRL-UHFFFAOYSA-N 0 3 325.403 2.427 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N(C)C)C2)c([O-])c1 ZINC001277456404 1303215906 /nfs/dbraw/zinc/21/59/06/1303215906.db2.gz FMNCEJBIEKLCCD-LPHOPBHVSA-N 0 3 332.444 2.481 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@]3(CCC[C@H]3C(=O)N(C)C)C2)c([O-])c1 ZINC001277456404 1303215912 /nfs/dbraw/zinc/21/59/12/1303215912.db2.gz FMNCEJBIEKLCCD-LPHOPBHVSA-N 0 3 332.444 2.481 20 10 EECDHN COCC(=O)N[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231589751 1303858217 /nfs/dbraw/zinc/85/82/17/1303858217.db2.gz PPSCCCAQCAKVPF-OAHLLOKOSA-N 0 3 328.412 2.272 20 10 EECDHN COCC(=O)N[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231589751 1303858218 /nfs/dbraw/zinc/85/82/18/1303858218.db2.gz PPSCCCAQCAKVPF-OAHLLOKOSA-N 0 3 328.412 2.272 20 10 EECDHN COc1cc(O[C@H]2CCN(Cc3cc(OC)c(O)cc3O)C2)ccn1 ZINC001231639749 1303876212 /nfs/dbraw/zinc/87/62/12/1303876212.db2.gz IRRNOHPSFMRYOU-AWEZNQCLSA-N 0 3 346.383 2.163 20 10 EECDHN COc1ccnc(O[C@H]2CCN(Cc3cc(OC)c(O)cc3O)C2)c1 ZINC001231639920 1303876932 /nfs/dbraw/zinc/87/69/32/1303876932.db2.gz NCXMWJBYKFTUSL-AWEZNQCLSA-N 0 3 346.383 2.163 20 10 EECDHN Clc1cc(CN2CC(N3CCCC3)C2)ccc1N1CCOCC1 ZINC001232203310 1304037966 /nfs/dbraw/zinc/03/79/66/1304037966.db2.gz STIYGXLQCOZIHX-UHFFFAOYSA-N 0 3 335.879 2.457 20 10 EECDHN CCn1ncc2c1[C@@H](COC)CN(Cc1ccc(N(C)C)cc1O)C2 ZINC001232838598 1304265471 /nfs/dbraw/zinc/26/54/71/1304265471.db2.gz LOMWMYXFTASKIT-MRXNPFEDSA-N 0 3 344.459 2.420 20 10 EECDHN COCC[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233483626 1304477082 /nfs/dbraw/zinc/47/70/82/1304477082.db2.gz GPDHAIMSKMRWMS-FZKQIMNGSA-N 0 3 337.416 2.211 20 10 EECDHN COc1ccc(O[C@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)nc1 ZINC001233487417 1304479741 /nfs/dbraw/zinc/47/97/41/1304479741.db2.gz CMEANSPSOHESIN-AWEZNQCLSA-N 0 3 346.383 2.250 20 10 EECDHN CC(C)(C)c1cc([O-])c(CN2CCN3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001234975582 1305068953 /nfs/dbraw/zinc/06/89/53/1305068953.db2.gz PMPTVFJZCVBPKX-AWEZNQCLSA-N 0 3 337.895 2.433 20 10 EECDHN CC[C@H]1CN(Cc2ccc(I)cc2[O-])CC[NH2+]1 ZINC001235730186 1305355397 /nfs/dbraw/zinc/35/53/97/1305355397.db2.gz KYFBBVOCTFWDDR-LBPRGKRZSA-N 0 3 346.212 2.181 20 10 EECDHN CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c([O-])c1 ZINC001237040097 1305775559 /nfs/dbraw/zinc/77/55/59/1305775559.db2.gz DIWIPLYURDUOAX-MRXNPFEDSA-N 0 3 332.444 2.481 20 10 EECDHN CCC1(O)CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001116445792 1305886207 /nfs/dbraw/zinc/88/62/07/1305886207.db2.gz ZYCLVSCTBIINPC-UHFFFAOYSA-N 0 3 335.467 2.314 20 10 EECDHN CCOC(=O)[C@@H]1CCCN1Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140306192 1314863646 /nfs/dbraw/zinc/86/36/46/1314863646.db2.gz OMVQPGZPLLACSE-IBGZPJMESA-N 0 3 345.487 2.356 20 10 EECDHN O[C@@]1(CF)CCCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140659958 1314923474 /nfs/dbraw/zinc/92/34/74/1314923474.db2.gz AODJBLYXYLHDCR-GOSISDBHSA-N 0 3 340.414 2.349 20 10 EECDHN Cc1noc([C@H]2CCN(Cc3ccc(N4CCOCC4)cc3F)C2)n1 ZINC001140664923 1314925093 /nfs/dbraw/zinc/92/50/93/1314925093.db2.gz WMDRVNYNWFRQCI-HNNXBMFYSA-N 0 3 346.406 2.343 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001249725007 1317159566 /nfs/dbraw/zinc/15/95/66/1317159566.db2.gz MAXLTBXNJGRMAO-UHFFFAOYSA-N 0 3 349.427 2.337 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001249725007 1317159568 /nfs/dbraw/zinc/15/95/68/1317159568.db2.gz MAXLTBXNJGRMAO-UHFFFAOYSA-N 0 3 349.427 2.337 20 10 EECDHN C[C@H]([NH2+]C[C@H](O)COc1ccc(CCO)cc1)c1ccccc1[O-] ZINC001253163066 1317784701 /nfs/dbraw/zinc/78/47/01/1317784701.db2.gz NAFCVNZXIRUNDC-HOCLYGCPSA-N 0 3 331.412 2.018 20 10 EECDHN CCN(CC)C[C@@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001253206347 1317797749 /nfs/dbraw/zinc/79/77/49/1317797749.db2.gz MNXJNXBNVARRGO-ZDUSSCGKSA-N 0 3 337.851 2.386 20 10 EECDHN C[C@@H](CC(=O)N1CCOCC1)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001256327443 1318710924 /nfs/dbraw/zinc/71/09/24/1318710924.db2.gz FGIASUYGOMVUIV-AWEZNQCLSA-N 0 3 328.412 2.272 20 10 EECDHN CCC1=NC2(CCN(Cc3ccc(N(C)C)cc3)CC2)C(=O)N1C ZINC001203936432 1321994798 /nfs/dbraw/zinc/99/47/98/1321994798.db2.gz GVXAFVVSDZUULH-UHFFFAOYSA-N 0 3 328.460 2.368 20 10 EECDHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC001308223432 1331574108 /nfs/dbraw/zinc/57/41/08/1331574108.db2.gz YAQIKKYEOUGEIU-CYBMUJFWSA-N 0 3 343.265 2.009 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)OC2CCOCC2)N(C)C)cc1 ZINC001335432368 1336374483 /nfs/dbraw/zinc/37/44/83/1336374483.db2.gz IECYEWNEHBOYNE-QGZVFWFLSA-N 0 3 335.448 2.261 20 10 EECDHN NC(=O)C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000815155327 1367816706 /nfs/dbraw/zinc/81/67/06/1367816706.db2.gz NMJJOIFFWDEGLR-IBGZPJMESA-N 0 3 339.439 2.230 20 10 EECDHN Cc1cc([O-])c(C[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1Cl ZINC000825537023 1369129306 /nfs/dbraw/zinc/12/93/06/1369129306.db2.gz QDDGKUJIDXVCJY-AWEZNQCLSA-N 0 3 325.884 2.470 20 10 EECDHN C[C@H](CN(C)Cc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C ZINC000862541291 1369538335 /nfs/dbraw/zinc/53/83/35/1369538335.db2.gz SNTLQHMIZRCSEH-LLVKDONJSA-N 0 3 338.404 2.466 20 10 EECDHN CCN(C)C(C)(C)C(=O)NCCC1=CCN(c2ccnc(C)n2)CC1 ZINC001089848887 777999787 /nfs/dbraw/zinc/99/97/87/777999787.db2.gz OUNPDOROEKCLNA-UHFFFAOYSA-N 0 3 345.491 2.158 20 10 EECDHN CC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)[S@]1=O ZINC000809700845 783292377 /nfs/dbraw/zinc/29/23/77/783292377.db2.gz PFHHYIKSGMZOKX-SWWFSWNPSA-N 0 3 349.544 2.170 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)OC[C@H]2CCCO2)N(C)C)cc1 ZINC000908460229 785428813 /nfs/dbraw/zinc/42/88/13/785428813.db2.gz PULZEZYIEQAHMJ-SJORKVTESA-N 0 3 335.448 2.261 20 10 EECDHN CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000910873480 787093043 /nfs/dbraw/zinc/09/30/43/787093043.db2.gz TXTLYJFFLZRVJN-UHFFFAOYSA-N 0 3 326.462 2.009 20 10 EECDHN CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000910873480 787093052 /nfs/dbraw/zinc/09/30/52/787093052.db2.gz TXTLYJFFLZRVJN-UHFFFAOYSA-N 0 3 326.462 2.009 20 10 EECDHN COc1ccc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c(OC)c1 ZINC001169042497 803583636 /nfs/dbraw/zinc/58/36/36/803583636.db2.gz FBUKXXIYOBFCTK-HUUCEWRRSA-N 0 3 349.431 2.271 20 10 EECDHN Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1[O-] ZINC000296653255 465229383 /nfs/dbraw/zinc/22/93/83/465229383.db2.gz WMQOKPBKAJAJCQ-HNNXBMFYSA-N 0 3 336.432 2.426 20 10 EECDHN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000134138087 463008037 /nfs/dbraw/zinc/00/80/37/463008037.db2.gz UQCXRAFHCDJDFB-CQSZACIVSA-N 0 3 341.249 2.061 20 10 EECDHN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000134138087 463008040 /nfs/dbraw/zinc/00/80/40/463008040.db2.gz UQCXRAFHCDJDFB-CQSZACIVSA-N 0 3 341.249 2.061 20 10 EECDHN Cc1ccc(O)c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1 ZINC000093534112 463040442 /nfs/dbraw/zinc/04/04/42/463040442.db2.gz OJQVJLYYILLHNH-UHFFFAOYSA-N 0 3 325.412 2.122 20 10 EECDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cccc(OC)c2O)C1 ZINC000289655902 464089062 /nfs/dbraw/zinc/08/90/62/464089062.db2.gz MZRYKACKVULTFT-CQSZACIVSA-N 0 3 333.306 2.328 20 10 EECDHN Oc1cc(OCc2ccccc2)ccc1CN1CCOC[C@H](O)C1 ZINC000294870159 464633242 /nfs/dbraw/zinc/63/32/42/464633242.db2.gz UQBDPEQKZSMIRD-QGZVFWFLSA-N 0 3 329.396 2.164 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1OC ZINC000272904998 464695167 /nfs/dbraw/zinc/69/51/67/464695167.db2.gz BOLDBKAZQKLPDU-AWEZNQCLSA-N 0 3 337.416 2.384 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1OC ZINC000272904998 464695174 /nfs/dbraw/zinc/69/51/74/464695174.db2.gz BOLDBKAZQKLPDU-AWEZNQCLSA-N 0 3 337.416 2.384 20 10 EECDHN CCCOc1ccc(C[N@H+](C)CCOCCOCCOC)c([O-])c1 ZINC000276215728 464849678 /nfs/dbraw/zinc/84/96/78/464849678.db2.gz PWQCUDWFUQXTCI-UHFFFAOYSA-N 0 3 341.448 2.292 20 10 EECDHN CCCOc1ccc(C[N@@H+](C)CCOCCOCCOC)c([O-])c1 ZINC000276215728 464849684 /nfs/dbraw/zinc/84/96/84/464849684.db2.gz PWQCUDWFUQXTCI-UHFFFAOYSA-N 0 3 341.448 2.292 20 10 EECDHN CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000734557784 577307459 /nfs/dbraw/zinc/30/74/59/577307459.db2.gz JFWWOHYXDUAZKS-TZMCWYRMSA-N 0 3 326.462 2.321 20 10 EECDHN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000734557784 577307461 /nfs/dbraw/zinc/30/74/61/577307461.db2.gz JFWWOHYXDUAZKS-TZMCWYRMSA-N 0 3 326.462 2.321 20 10 EECDHN C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[O-] ZINC000775131213 577430714 /nfs/dbraw/zinc/43/07/14/577430714.db2.gz TZRACOKPUYGLFX-ZDUSSCGKSA-N 0 3 334.441 2.493 20 10 EECDHN CC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H](O)C(F)(F)F ZINC000765786414 577507113 /nfs/dbraw/zinc/50/71/13/577507113.db2.gz FSSVPPORFVWIHE-GJZGRUSLSA-N 0 3 332.366 2.315 20 10 EECDHN COC(=O)C[C@H]1CSCCN1Cc1cc(OC)c(C)cc1O ZINC000768448484 577555863 /nfs/dbraw/zinc/55/58/63/577555863.db2.gz VIGXTBKQQBDMET-ZDUSSCGKSA-N 0 3 325.430 2.190 20 10 EECDHN COCCC[N@H+](Cc1ccncc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768452149 577556072 /nfs/dbraw/zinc/55/60/72/577556072.db2.gz PLDZFHAHEQBKCY-SFHVURJKSA-N 0 3 344.411 2.252 20 10 EECDHN COCCC[N@@H+](Cc1ccncc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768452149 577556073 /nfs/dbraw/zinc/55/60/73/577556073.db2.gz PLDZFHAHEQBKCY-SFHVURJKSA-N 0 3 344.411 2.252 20 10 EECDHN CCOc1ccc(C[N@H+](CCC(=O)OC)C2CCOCC2)c([O-])c1 ZINC000769506541 577579419 /nfs/dbraw/zinc/57/94/19/577579419.db2.gz WMZGDDXMTZJRBL-UHFFFAOYSA-N 0 3 337.416 2.335 20 10 EECDHN CCOc1ccc(C[N@@H+](CCC(=O)OC)C2CCOCC2)c([O-])c1 ZINC000769506541 577579420 /nfs/dbraw/zinc/57/94/20/577579420.db2.gz WMZGDDXMTZJRBL-UHFFFAOYSA-N 0 3 337.416 2.335 20 10 EECDHN CCOCCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759885244 577652986 /nfs/dbraw/zinc/65/29/86/577652986.db2.gz BLVPBHBHCZKNOY-UHFFFAOYSA-N 0 3 338.448 2.261 20 10 EECDHN CO[C@]1(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000763572277 577722792 /nfs/dbraw/zinc/72/27/92/577722792.db2.gz MNDBQDKTSVXWTO-KDOFPFPSSA-N 0 3 338.423 2.118 20 10 EECDHN CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)N1CCOCC1 ZINC000756649486 577847970 /nfs/dbraw/zinc/84/79/70/577847970.db2.gz PNGHSXBKIYIIEW-FPMFFAJLSA-N 0 3 336.407 2.307 20 10 EECDHN CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000747815730 577950540 /nfs/dbraw/zinc/95/05/40/577950540.db2.gz MKJZWYNVTMQAME-HOTGVXAUSA-N 0 3 333.476 2.429 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(C)(C)O2)N(C)C)cc1 ZINC000891247156 676241429 /nfs/dbraw/zinc/24/14/29/676241429.db2.gz GCHRJJDBCNVIHT-DLBZAZTESA-N 0 3 333.476 2.429 20 10 EECDHN CCO[C@H]1C[C@@](N)(C(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000326085654 676540409 /nfs/dbraw/zinc/54/04/09/676540409.db2.gz YREDVHRBKMBHIK-QFBILLFUSA-N 0 3 333.476 2.244 20 10 EECDHN CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccccc1O ZINC001272618105 1190932968 /nfs/dbraw/zinc/93/29/68/1190932968.db2.gz BKQJZZNCISUELK-KUHUBIRLSA-N 0 3 330.428 2.327 20 10 EECDHN CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618635 1190933420 /nfs/dbraw/zinc/93/34/20/1190933420.db2.gz KTRTWQMJNPZGKH-LJQANCHMSA-N 0 3 332.444 2.386 20 10 EECDHN CCOCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618635 1190933425 /nfs/dbraw/zinc/93/34/25/1190933425.db2.gz KTRTWQMJNPZGKH-LJQANCHMSA-N 0 3 332.444 2.386 20 10 EECDHN CC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794805350 1198004430 /nfs/dbraw/zinc/00/44/30/1198004430.db2.gz QCTYOLHOIZKFQE-AWEZNQCLSA-N 0 3 328.478 2.459 20 10 EECDHN Cc1cc(Br)cc(CN2CCC(CO)(CO)CC2)c1O ZINC000877797884 1200116225 /nfs/dbraw/zinc/11/62/25/1200116225.db2.gz DPQJVWNCEXGQRQ-UHFFFAOYSA-N 0 3 344.249 2.030 20 10 EECDHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000879648311 1201193114 /nfs/dbraw/zinc/19/31/14/1201193114.db2.gz JJUYGUKNPUHPGK-RBSFLKMASA-N 0 3 348.443 2.233 20 10 EECDHN O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccc(O)cc2[O-])[nH]1 ZINC001275953351 1205600601 /nfs/dbraw/zinc/60/06/01/1205600601.db2.gz XCJWDICTKPCOEN-IRXDYDNUSA-N 0 3 341.411 2.047 20 10 EECDHN O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc(O)cc2[O-])[nH]1 ZINC001275953351 1205600602 /nfs/dbraw/zinc/60/06/02/1205600602.db2.gz XCJWDICTKPCOEN-IRXDYDNUSA-N 0 3 341.411 2.047 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cnns2)N(C)C)cc1 ZINC000930998664 1206598655 /nfs/dbraw/zinc/59/86/55/1206598655.db2.gz PWIWNGLRRUJFGS-ZDUSSCGKSA-N 0 3 334.449 2.029 20 10 EECDHN CC[C@@H](CN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001016366757 1226397654 /nfs/dbraw/zinc/39/76/54/1226397654.db2.gz GCWHFASIWVYKKK-CABCVRRESA-N 0 3 347.419 2.078 20 10 EECDHN C[C@H]1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)N1C1CC1 ZINC000900184730 1234073077 /nfs/dbraw/zinc/07/30/77/1234073077.db2.gz FVVJPOKNCCUOBF-GUYCJALGSA-N 0 3 344.459 2.170 20 10 EECDHN CC(C)N1CC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900186391 1234074412 /nfs/dbraw/zinc/07/44/12/1234074412.db2.gz ZLBFVXAMDVYASQ-INIZCTEOSA-N 0 3 332.448 2.028 20 10 EECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000815607316 1278159332 /nfs/dbraw/zinc/15/93/32/1278159332.db2.gz WFWZFZBOYSWPMS-NJSLBKSFSA-N 0 3 345.443 2.380 20 10 EECDHN COc1cc(CNC[C@@H](C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850227564 1277103251 /nfs/dbraw/zinc/10/32/51/1277103251.db2.gz VFOKVNUHFKXODG-LLVKDONJSA-N 0 3 329.462 2.221 20 10 EECDHN CNC(=O)CC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCCCC1 ZINC000850399895 1277214850 /nfs/dbraw/zinc/21/48/50/1277214850.db2.gz UJNCMTCWUNQZEC-UHFFFAOYSA-N 0 3 334.416 2.297 20 10 EECDHN COc1ccc(N2CC[C@@H](NC(=O)C3(N)CC4(CCC4)C3)C2)cc1 ZINC000851640612 1277696742 /nfs/dbraw/zinc/69/67/42/1277696742.db2.gz ZLEKVWAHBSBMEP-CQSZACIVSA-N 0 3 329.444 2.052 20 10 EECDHN COc1cc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000858281617 1294070134 /nfs/dbraw/zinc/07/01/34/1294070134.db2.gz VTEJIDNQWVQXJU-IAQYHMDHSA-N 0 3 341.473 2.364 20 10 EECDHN O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3CCNC[C@@H]3F)cccc21 ZINC001218064242 1297560512 /nfs/dbraw/zinc/56/05/12/1297560512.db2.gz IEADQQUPEZSFTC-JSGCOSHPSA-N 0 3 341.338 2.246 20 10 EECDHN COc1ccc(N2CCC[C@]3(CCCN(CC(=O)N(C)C)C3)C2)cc1 ZINC001276924104 1300285296 /nfs/dbraw/zinc/28/52/96/1300285296.db2.gz FSBSLHJVRROLSP-FQEVSTJZSA-N 0 3 345.487 2.466 20 10 EECDHN O=C(Nc1ccc(O)cc1O)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277441920 1303032402 /nfs/dbraw/zinc/03/24/02/1303032402.db2.gz ROXWEIFXLHWLEN-UHFFFAOYSA-N 0 3 340.379 2.454 20 10 EECDHN COc1ccc(Br)c(CN2CC[C@](C)(CO)C2)c1O ZINC001231548727 1303841726 /nfs/dbraw/zinc/84/17/26/1303841726.db2.gz YVVPSWSLFACFMC-AWEZNQCLSA-N 0 3 330.222 2.368 20 10 EECDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001231588129 1303857199 /nfs/dbraw/zinc/85/71/99/1303857199.db2.gz MNSUQVGECDUNMD-LRDDRELGSA-N 0 3 341.329 2.405 20 10 EECDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001231588129 1303857204 /nfs/dbraw/zinc/85/72/04/1303857204.db2.gz MNSUQVGECDUNMD-LRDDRELGSA-N 0 3 341.329 2.405 20 10 EECDHN COc1cc(CN2CCCN(c3ccc(F)cn3)CC2)c(O)cc1O ZINC001231633860 1303872583 /nfs/dbraw/zinc/87/25/83/1303872583.db2.gz AYAOGGQEHOCPKJ-UHFFFAOYSA-N 0 3 347.390 2.353 20 10 EECDHN COc1ccnc(O[C@@H]2CCN(Cc3cc(OC)c(O)cc3O)C2)c1 ZINC001231639921 1303876334 /nfs/dbraw/zinc/87/63/34/1303876334.db2.gz NCXMWJBYKFTUSL-CQSZACIVSA-N 0 3 346.383 2.163 20 10 EECDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c1[O-] ZINC001233290643 1304419063 /nfs/dbraw/zinc/41/90/63/1304419063.db2.gz OKMYMUQTQUEZEH-UHFFFAOYSA-N 0 3 338.835 2.499 20 10 EECDHN COc1cc(Cl)cc(CN2CCC3(CC(=O)N(C)C3)CC2)c1O ZINC001233290643 1304419070 /nfs/dbraw/zinc/41/90/70/1304419070.db2.gz OKMYMUQTQUEZEH-UHFFFAOYSA-N 0 3 338.835 2.499 20 10 EECDHN O=C1NCC[C@@]12CC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233736416 1304573490 /nfs/dbraw/zinc/57/34/90/1304573490.db2.gz KMRJIFCMXAVYKS-AWEZNQCLSA-N 0 3 330.306 2.003 20 10 EECDHN O=C1NCC[C@@]12CC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233736416 1304573494 /nfs/dbraw/zinc/57/34/94/1304573494.db2.gz KMRJIFCMXAVYKS-AWEZNQCLSA-N 0 3 330.306 2.003 20 10 EECDHN CC[C@H]1CN(Cc2cc(Br)c(OC)cc2[O-])CC[NH2+]1 ZINC001235729809 1305355612 /nfs/dbraw/zinc/35/56/12/1305355612.db2.gz DCCCIHOUZYJWGV-NSHDSACASA-N 0 3 329.238 2.347 20 10 EECDHN C[C@H]1CN(Cc2ccc(I)cc2[O-])C[C@H](C)[NH2+]1 ZINC001236425351 1305575911 /nfs/dbraw/zinc/57/59/11/1305575911.db2.gz UFRZWROOQSCJTI-UWVGGRQHSA-N 0 3 346.212 2.179 20 10 EECDHN C[C@@H]1CN(Cc2ccc(I)cc2[O-])C[C@@H](C)[NH2+]1 ZINC001236580827 1305600267 /nfs/dbraw/zinc/60/02/67/1305600267.db2.gz UFRZWROOQSCJTI-NXEZZACHSA-N 0 3 346.212 2.179 20 10 EECDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc3ccccc3cc2[O-])O1 ZINC001236830546 1305693039 /nfs/dbraw/zinc/69/30/39/1305693039.db2.gz PIMCDYXLJDXUKH-BHIYHBOVSA-N 0 3 340.423 2.365 20 10 EECDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc3ccccc3cc2[O-])O1 ZINC001236830546 1305693042 /nfs/dbraw/zinc/69/30/42/1305693042.db2.gz PIMCDYXLJDXUKH-BHIYHBOVSA-N 0 3 340.423 2.365 20 10 EECDHN O=C(Nc1nnco1)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001278248510 1308909905 /nfs/dbraw/zinc/90/99/05/1308909905.db2.gz FXHNVKDUTIGYDT-ZDUSSCGKSA-N 0 3 346.362 2.155 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001278248991 1308912257 /nfs/dbraw/zinc/91/22/57/1308912257.db2.gz VLYWLQNDXLBEON-HNNXBMFYSA-N 0 3 344.390 2.495 20 10 EECDHN CCOC(=O)[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)CCC1=O ZINC001139672055 1314756878 /nfs/dbraw/zinc/75/68/78/1314756878.db2.gz SFGYSLIRINOMSF-INIZCTEOSA-N 0 3 332.444 2.405 20 10 EECDHN CCOC(=O)C1=C(O)CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139672055 1314756879 /nfs/dbraw/zinc/75/68/79/1314756879.db2.gz SFGYSLIRINOMSF-INIZCTEOSA-N 0 3 332.444 2.405 20 10 EECDHN CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1cc(F)ccc1[O-] ZINC001140060477 1314806593 /nfs/dbraw/zinc/80/65/93/1314806593.db2.gz XVWVIYUSPFVVGL-UHFFFAOYSA-N 0 3 341.379 2.240 20 10 EECDHN CN(C)[C@H](CNC(=O)NCCc1ccc(N)cc1)Cc1ccccc1 ZINC000841636648 1315590417 /nfs/dbraw/zinc/59/04/17/1315590417.db2.gz WSPKRXFLESOLNG-IBGZPJMESA-N 0 3 340.471 2.283 20 10 EECDHN CN(C)[C@@H](CNC(=O)NCCc1ccc(N)cc1)Cc1ccccc1 ZINC000841636651 1315590444 /nfs/dbraw/zinc/59/04/44/1315590444.db2.gz WSPKRXFLESOLNG-LJQANCHMSA-N 0 3 340.471 2.283 20 10 EECDHN CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249215269 1317025167 /nfs/dbraw/zinc/02/51/67/1317025167.db2.gz YXVAOFOQWJXXEY-LJQANCHMSA-N 0 3 349.427 2.273 20 10 EECDHN CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249215269 1317025173 /nfs/dbraw/zinc/02/51/73/1317025173.db2.gz YXVAOFOQWJXXEY-LJQANCHMSA-N 0 3 349.427 2.273 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c([O-])c1 ZINC001249215235 1317025291 /nfs/dbraw/zinc/02/52/91/1317025291.db2.gz XHUQLASSQQXAIJ-UHFFFAOYSA-N 0 3 327.380 2.372 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c([O-])c1 ZINC001249215235 1317025301 /nfs/dbraw/zinc/02/53/01/1317025301.db2.gz XHUQLASSQQXAIJ-UHFFFAOYSA-N 0 3 327.380 2.372 20 10 EECDHN COC(=O)CO[C@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249263402 1317037753 /nfs/dbraw/zinc/03/77/53/1317037753.db2.gz IEZCREQBAOXLPT-AWEZNQCLSA-N 0 3 347.411 2.340 20 10 EECDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249263402 1317037763 /nfs/dbraw/zinc/03/77/63/1317037763.db2.gz IEZCREQBAOXLPT-AWEZNQCLSA-N 0 3 347.411 2.340 20 10 EECDHN COc1ccc(CN2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c(O)c1 ZINC001203630771 1321927873 /nfs/dbraw/zinc/92/78/73/1321927873.db2.gz UVMJJKLFVCHAOU-XJKSGUPXSA-N 0 3 342.395 2.340 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c([O-])c1 ZINC001203630771 1321927875 /nfs/dbraw/zinc/92/78/75/1321927875.db2.gz UVMJJKLFVCHAOU-XJKSGUPXSA-N 0 3 342.395 2.340 20 10 EECDHN COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c([O-])c1 ZINC001203630771 1321927876 /nfs/dbraw/zinc/92/78/76/1321927876.db2.gz UVMJJKLFVCHAOU-XJKSGUPXSA-N 0 3 342.395 2.340 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001203634897 1321929190 /nfs/dbraw/zinc/92/91/90/1321929190.db2.gz AIAMPJOLLPVRCH-MRXNPFEDSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001203634897 1321929192 /nfs/dbraw/zinc/92/91/92/1321929192.db2.gz AIAMPJOLLPVRCH-MRXNPFEDSA-N 0 3 330.384 2.458 20 10 EECDHN C[C@@H]1CC[NH2+]CCN1Cc1ccc(I)cc1[O-] ZINC001205332536 1322352523 /nfs/dbraw/zinc/35/25/23/1322352523.db2.gz RIHBOWGZQOIPLE-SNVBAGLBSA-N 0 3 346.212 2.181 20 10 EECDHN C[C@H]1CC[NH2+]CCN1Cc1ccc(I)cc1[O-] ZINC001205332535 1322352774 /nfs/dbraw/zinc/35/27/74/1322352774.db2.gz RIHBOWGZQOIPLE-JTQLQIEISA-N 0 3 346.212 2.181 20 10 EECDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H](F)CC2)c(Br)c1 ZINC001206201883 1323425001 /nfs/dbraw/zinc/42/50/01/1323425001.db2.gz ZPQYRQUDBRHHTD-CHWSQXEVSA-N 0 3 347.228 2.425 20 10 EECDHN COc1cc(C)cc(CNCC(=O)NCCc2ccccc2)c1O ZINC001333705023 1336110658 /nfs/dbraw/zinc/11/06/58/1336110658.db2.gz LQXNNWCYYYYVTA-UHFFFAOYSA-N 0 3 328.412 2.158 20 10 EECDHN CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590463702 1349340508 /nfs/dbraw/zinc/34/05/08/1349340508.db2.gz LAQHXZCMEROTGM-HNNXBMFYSA-N 0 3 344.463 2.345 20 10 EECDHN C[C@@H](C[S@](C)=O)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000784652337 1371431050 /nfs/dbraw/zinc/43/10/50/1371431050.db2.gz UYHILDSNVQEMFF-NPMABZOXSA-N 0 3 339.461 2.442 20 10 EECDHN COC1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001123617739 1372163215 /nfs/dbraw/zinc/16/32/15/1372163215.db2.gz XTBMPJBSFZLHJY-SFHVURJKSA-N 0 3 348.491 2.176 20 10 EECDHN CN1CCOc2cc(CN3CCC(N4CCCOC4=O)CC3)ccc21 ZINC001141146281 1372764399 /nfs/dbraw/zinc/76/43/99/1372764399.db2.gz QRJRTRKHPGJYCP-UHFFFAOYSA-N 0 3 345.443 2.322 20 10 EECDHN C[C@H](NC(=O)c1ccnn1CCN(C)C)c1ccc(N(C)C)cc1 ZINC000907494238 784675439 /nfs/dbraw/zinc/67/54/39/784675439.db2.gz WPYBXIHMAZQHMN-AWEZNQCLSA-N 0 3 329.448 2.002 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CNCCO2)c1[O-] ZINC000817984530 785133555 /nfs/dbraw/zinc/13/35/55/785133555.db2.gz ZOHLNWDAZWCCHU-CMPLNLGQSA-N 0 3 329.238 2.102 20 10 EECDHN COc1ccc(O)c(CN[C@@H](C)C(=O)NCCc2ccccc2)c1 ZINC000825035442 788408154 /nfs/dbraw/zinc/40/81/54/788408154.db2.gz KPPTURNFJJSXHX-AWEZNQCLSA-N 0 3 328.412 2.238 20 10 EECDHN CN(CCCN(C)C(=O)c1cccc(O)c1O)Cc1ccncc1 ZINC000846170867 790070382 /nfs/dbraw/zinc/07/03/82/790070382.db2.gz CLHZOZLFDUCPQX-UHFFFAOYSA-N 0 3 329.400 2.087 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846191294 790085167 /nfs/dbraw/zinc/08/51/67/790085167.db2.gz XMMJYDUDKLNMMN-ZYHUDNBSSA-N 0 3 332.853 2.039 20 10 EECDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000785539401 806511902 /nfs/dbraw/zinc/51/19/02/806511902.db2.gz AMTBKCAKKPSCSP-JTDSTZFVSA-N 0 3 347.503 2.192 20 10 EECDHN CCn1nccc1N1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC000191621880 237262599 /nfs/dbraw/zinc/26/25/99/237262599.db2.gz NRMYTBQBFYQPBL-AWEZNQCLSA-N 0 3 332.379 2.033 20 10 EECDHN CN(C)c1ccc(CN2CCC(CN3CCOCC3)CC2)cc1F ZINC000134090329 463002732 /nfs/dbraw/zinc/00/27/32/463002732.db2.gz UBHUIXFWYDARDO-UHFFFAOYSA-N 0 3 335.467 2.436 20 10 EECDHN COCC[NH+](CCOC)C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000289950840 464102135 /nfs/dbraw/zinc/10/21/35/464102135.db2.gz YSHYFPNZZJIIIL-UHFFFAOYSA-N 0 3 340.439 2.091 20 10 EECDHN CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180482082 464320133 /nfs/dbraw/zinc/32/01/33/464320133.db2.gz CWZNWAFBHQUWLI-UHFFFAOYSA-N 0 3 338.404 2.071 20 10 EECDHN CC(C)N1C[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000271568008 464333895 /nfs/dbraw/zinc/33/38/95/464333895.db2.gz YTOKLEPNHRCSHQ-ZBFHGGJFSA-N 0 3 349.450 2.322 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000273087484 464702113 /nfs/dbraw/zinc/70/21/13/464702113.db2.gz RVBMJQMKFBEWQM-PMACEKPBSA-N 0 3 345.487 2.258 20 10 EECDHN CCN(CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])S(C)(=O)=O ZINC000273297317 464710195 /nfs/dbraw/zinc/71/01/95/464710195.db2.gz AKBDMSCHBGSTAM-AWEZNQCLSA-N 0 3 328.478 2.331 20 10 EECDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1[O-] ZINC000273565974 464719995 /nfs/dbraw/zinc/71/99/95/464719995.db2.gz JMKQXDIFDZBVBH-NSHDSACASA-N 0 3 343.265 2.262 20 10 EECDHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000282458114 464826779 /nfs/dbraw/zinc/82/67/79/464826779.db2.gz VLFKHMRWAQYDGR-ZAMGYDSWSA-N 0 3 340.464 2.224 20 10 EECDHN COC1CCN(c2ccc(CN3CCC(CC(N)=O)CC3)cc2)CC1 ZINC000295445151 464837804 /nfs/dbraw/zinc/83/78/04/464837804.db2.gz GTYVHYLUJMVYLE-UHFFFAOYSA-N 0 3 345.487 2.389 20 10 EECDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000268090904 464950188 /nfs/dbraw/zinc/95/01/88/464950188.db2.gz AGFAESWFXFNUIB-KSSFIOAISA-N 0 3 342.487 2.351 20 10 EECDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000300403808 465890059 /nfs/dbraw/zinc/89/00/59/465890059.db2.gz FASHVKNWZWXECV-KBPBESRZSA-N 0 3 341.249 2.108 20 10 EECDHN COc1ccc(N2CCCN(C(=O)NCCN(C)C3CC3)CC2)cc1 ZINC000364205253 466689290 /nfs/dbraw/zinc/68/92/90/466689290.db2.gz GMVMYSJKPAGKTC-UHFFFAOYSA-N 0 3 346.475 2.011 20 10 EECDHN CN(C)C(=O)C[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000725846268 576065995 /nfs/dbraw/zinc/06/59/95/576065995.db2.gz AZGKWYPUVRTKQJ-HNNXBMFYSA-N 0 3 342.395 2.430 20 10 EECDHN COC1CCN(C(C)(C)CNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000730908028 577068177 /nfs/dbraw/zinc/06/81/77/577068177.db2.gz PSAWICQQYSWMAO-UHFFFAOYSA-N 0 3 349.475 2.423 20 10 EECDHN CNS(=O)(=O)[C@H]1CCCN(Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000733298151 577221076 /nfs/dbraw/zinc/22/10/76/577221076.db2.gz ATQLYRXLQVFWNE-HNNXBMFYSA-N 0 3 340.489 2.338 20 10 EECDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000733322250 577222486 /nfs/dbraw/zinc/22/24/86/577222486.db2.gz DWFPFJVHSSFNHN-UHFFFAOYSA-N 0 3 340.423 2.463 20 10 EECDHN Cc1ccc(O)c(CNCc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000733322250 577222488 /nfs/dbraw/zinc/22/24/88/577222488.db2.gz DWFPFJVHSSFNHN-UHFFFAOYSA-N 0 3 340.423 2.463 20 10 EECDHN Cc1ccc([C@H](O)CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000771841534 577233621 /nfs/dbraw/zinc/23/36/21/577233621.db2.gz JAHCEGDCDUVKLU-GOSISDBHSA-N 0 3 329.444 2.163 20 10 EECDHN CC(C)[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCCC1 ZINC000733800361 577259910 /nfs/dbraw/zinc/25/99/10/577259910.db2.gz NTPSGJMZVRGILQ-IBGZPJMESA-N 0 3 345.487 2.260 20 10 EECDHN C[C@H](NCc1ccn(C)c(=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000775260071 577433834 /nfs/dbraw/zinc/43/38/34/577433834.db2.gz MSZXCXIEFKORMC-HNNXBMFYSA-N 0 3 327.428 2.073 20 10 EECDHN CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775727450 577444021 /nfs/dbraw/zinc/44/40/21/577444021.db2.gz RRFSLOZTZLYEAN-MRXNPFEDSA-N 0 3 333.476 2.210 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@@H](CCO)C2CCOCC2)c1[O-] ZINC000764678243 577486596 /nfs/dbraw/zinc/48/65/96/577486596.db2.gz LKYAKBWOKIUJFA-AWEZNQCLSA-N 0 3 329.824 2.321 20 10 EECDHN CCOc1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000754084742 577799967 /nfs/dbraw/zinc/79/99/67/577799967.db2.gz ZRBOTPCMOZFEBI-WMZOPIPTSA-N 0 3 331.412 2.365 20 10 EECDHN CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756413168 577843705 /nfs/dbraw/zinc/84/37/05/577843705.db2.gz YAWOGTXNVBVFFZ-STQMWFEESA-N 0 3 327.419 2.347 20 10 EECDHN COc1cccc(CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1O ZINC000745493899 577914393 /nfs/dbraw/zinc/91/43/93/577914393.db2.gz FWKNZYSRZGPBBM-UONOGXRCSA-N 0 3 335.448 2.463 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\[C@H]2CCOC2)N(C)C)cc1 ZINC000891246229 676239715 /nfs/dbraw/zinc/23/97/15/676239715.db2.gz AYCDKHNENVIBOZ-FHAUTSHSSA-N 0 3 331.460 2.064 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cncc(F)c2)N(C)C)cc1 ZINC000891254541 676250372 /nfs/dbraw/zinc/25/03/72/676250372.db2.gz ZHOZVVKJTIUFJO-QGZVFWFLSA-N 0 3 330.407 2.319 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)n2)N(C)C)cc1 ZINC000891254590 676250376 /nfs/dbraw/zinc/25/03/76/676250376.db2.gz ZMNQRMRJYOVODW-INIZCTEOSA-N 0 3 330.407 2.319 20 10 EECDHN Cc1[nH]nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891254251 676250600 /nfs/dbraw/zinc/25/06/00/676250600.db2.gz XXCIUNZIFACPQV-INIZCTEOSA-N 0 3 329.448 2.125 20 10 EECDHN C[C@@H](OCC1CC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256500 676252334 /nfs/dbraw/zinc/25/23/34/676252334.db2.gz YUBGHMOSJBXHHV-KDOFPFPSSA-N 0 3 333.476 2.287 20 10 EECDHN C[C@@H]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000895287251 684449670 /nfs/dbraw/zinc/44/96/70/684449670.db2.gz XWGQVALQXZCPKG-FHLIZLRMSA-N 0 3 348.491 2.222 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N2CCCN(CCCF)CC2)cc1 ZINC000989768126 692274949 /nfs/dbraw/zinc/27/49/49/692274949.db2.gz ZVDWLBLMIRENND-UHFFFAOYSA-N 0 3 335.383 2.357 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCn2cccc2)N(C)C)cc1 ZINC000893512080 692797079 /nfs/dbraw/zinc/79/70/79/692797079.db2.gz IBULSMLIWYSDJY-GOSISDBHSA-N 0 3 343.475 2.156 20 10 EECDHN COCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272387058 1190796671 /nfs/dbraw/zinc/79/66/71/1190796671.db2.gz SCIBZAFLNBPITO-LJQANCHMSA-N 0 3 348.443 2.091 20 10 EECDHN O=c1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c[nH]1 ZINC000865598207 1198292307 /nfs/dbraw/zinc/29/23/07/1198292307.db2.gz PVZHPPILBADUJG-UHFFFAOYSA-N 0 3 335.354 2.192 20 10 EECDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](N)CCC(C)C)C2)cc1 ZINC000876931843 1199822431 /nfs/dbraw/zinc/82/24/31/1199822431.db2.gz XBAUJUNRXPJRQF-QAPCUYQASA-N 0 3 333.476 2.401 20 10 EECDHN CC(=O)NC[C@H]1CCCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877673697 1200021016 /nfs/dbraw/zinc/02/10/16/1200021016.db2.gz GZPSBVZBCAKXBM-LJQANCHMSA-N 0 3 345.487 2.138 20 10 EECDHN CN1CC[NH+](C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000877745875 1200070698 /nfs/dbraw/zinc/07/06/98/1200070698.db2.gz BWWFAQVWQZYYDD-UHFFFAOYSA-N 0 3 341.858 2.397 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000903233361 1240060107 /nfs/dbraw/zinc/06/01/07/1240060107.db2.gz HAXGVTMIIGNJHO-SQWLQELKSA-N 0 3 340.489 2.459 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c1[O-] ZINC000858468948 1294125404 /nfs/dbraw/zinc/12/54/04/1294125404.db2.gz NRFAFQFDBHEBJA-DOMZBBRYSA-N 0 3 339.867 2.344 20 10 EECDHN CCOC(=O)[C@@H]1CNCCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001211354225 1295837582 /nfs/dbraw/zinc/83/75/82/1295837582.db2.gz LOLUVHOKNGMNHN-IBGZPJMESA-N 0 3 341.455 2.431 20 10 EECDHN [O-]c1c(F)cc(Cl)cc1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222691251 1299792295 /nfs/dbraw/zinc/79/22/95/1299792295.db2.gz GSBZNWKQKDHDIW-MRXNPFEDSA-N 0 3 327.831 2.102 20 10 EECDHN [O-]c1c(F)cc(Cl)cc1CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222691251 1299792316 /nfs/dbraw/zinc/79/23/16/1299792316.db2.gz GSBZNWKQKDHDIW-MRXNPFEDSA-N 0 3 327.831 2.102 20 10 EECDHN O=C([C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2)N1CCCCO1 ZINC001277196923 1301768209 /nfs/dbraw/zinc/76/82/09/1301768209.db2.gz SVMKCNZUMBTBCB-INIZCTEOSA-N 0 3 346.427 2.254 20 10 EECDHN O=C(NCc1c[nH]cn1)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277440511 1303025714 /nfs/dbraw/zinc/02/57/14/1303025714.db2.gz BBBGACFBSUUICV-MRXNPFEDSA-N 0 3 340.427 2.034 20 10 EECDHN COc1cc(CN2CCC[C@H](Oc3cc(C)ncn3)C2)c(O)cc1O ZINC001231640005 1303876237 /nfs/dbraw/zinc/87/62/37/1303876237.db2.gz OEWDUCUHCGMMLZ-AWEZNQCLSA-N 0 3 345.399 2.248 20 10 EECDHN COc1cc([O-])c(CN2CC[NH2+]CC2(C)C)cc1Br ZINC001235825813 1305411188 /nfs/dbraw/zinc/41/11/88/1305411188.db2.gz OWKAPWRIBSLCQV-UHFFFAOYSA-N 0 3 329.238 2.347 20 10 EECDHN [O-]c1cc(C(F)(F)F)ccc1CN1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001236165221 1305521387 /nfs/dbraw/zinc/52/13/87/1305521387.db2.gz KLIMMUULKKNBMA-CQSZACIVSA-N 0 3 330.350 2.100 20 10 EECDHN COC(=O)[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C[C@H]1[NH3+] ZINC001236364550 1305569857 /nfs/dbraw/zinc/56/98/57/1305569857.db2.gz YLMMEOHPUJXSOM-SMDDNHRTSA-N 0 3 340.851 2.275 20 10 EECDHN CCOc1ccc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c([O-])c1 ZINC001237042828 1305775854 /nfs/dbraw/zinc/77/58/54/1305775854.db2.gz KPOFCRORSIGQEK-UHFFFAOYSA-N 0 3 348.443 2.051 20 10 EECDHN Cc1cc(Cl)cc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c1O ZINC001237679539 1306042341 /nfs/dbraw/zinc/04/23/41/1306042341.db2.gz JJCNBEUOOAAIPO-RBSFLKMASA-N 0 3 338.835 2.174 20 10 EECDHN C[C@H]1CC2(CN1CC(=O)NCc1ccc(N(C)C)cc1)CCOCC2 ZINC000830617435 1314543275 /nfs/dbraw/zinc/54/32/75/1314543275.db2.gz LALRNUXTCHDBID-INIZCTEOSA-N 0 3 345.487 2.260 20 10 EECDHN COc1cnc(N2CCN(Cc3c(C)ccc(C)c3O)CC2)nc1 ZINC001140184711 1314829681 /nfs/dbraw/zinc/82/96/81/1314829681.db2.gz FPELNOPHARNBKU-UHFFFAOYSA-N 0 3 328.416 2.130 20 10 EECDHN CC(C)C(=O)NC1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143231 1315049623 /nfs/dbraw/zinc/04/96/23/1315049623.db2.gz QBVKJWFVQCNEAA-UHFFFAOYSA-N 0 3 331.460 2.252 20 10 EECDHN C[C@H]1NCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H]1C ZINC000841850411 1315623187 /nfs/dbraw/zinc/62/31/87/1315623187.db2.gz SKWJQAGAIFQVIH-NEPJUHHUSA-N 0 3 330.457 2.139 20 10 EECDHN CCn1cncc1CNCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000841860096 1315625990 /nfs/dbraw/zinc/62/59/90/1315625990.db2.gz ATDDAMMPGKHSKT-UHFFFAOYSA-N 0 3 345.466 2.474 20 10 EECDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001157435638 1318640573 /nfs/dbraw/zinc/64/05/73/1318640573.db2.gz UMAWIVUJTOKQFS-YOEHRIQHSA-N 0 3 342.443 2.042 20 10 EECDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001157435638 1318640587 /nfs/dbraw/zinc/64/05/87/1318640587.db2.gz UMAWIVUJTOKQFS-YOEHRIQHSA-N 0 3 342.443 2.042 20 10 EECDHN CCOc1cccc(CN2CCC[C@H](NC(=O)NC(C)C)C2)c1O ZINC001203617195 1321924459 /nfs/dbraw/zinc/92/44/59/1321924459.db2.gz LJPNAVBNIKUSSH-HNNXBMFYSA-N 0 3 335.448 2.463 20 10 EECDHN COc1ccc(O)c(CN2CC[C@@H](Oc3ncccc3OC)C2)c1 ZINC001203684184 1321940515 /nfs/dbraw/zinc/94/05/15/1321940515.db2.gz OCTJXFVUHLUJSR-OAHLLOKOSA-N 0 3 330.384 2.458 20 10 EECDHN O=C(c1ccsc1)N1C[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204274610 1322099897 /nfs/dbraw/zinc/09/98/97/1322099897.db2.gz QNSPANFTOJFVTO-GASCZTMLSA-N 0 3 344.436 2.363 20 10 EECDHN O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204274610 1322099905 /nfs/dbraw/zinc/09/99/05/1322099905.db2.gz QNSPANFTOJFVTO-GASCZTMLSA-N 0 3 344.436 2.363 20 10 EECDHN COc1cc([O-])c(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(Br)c1 ZINC001205889344 1323332403 /nfs/dbraw/zinc/33/24/03/1323332403.db2.gz ZVWSRIUKZDHBAJ-RNCFNFMXSA-N 0 3 329.238 2.332 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001208987905 1324750527 /nfs/dbraw/zinc/75/05/27/1324750527.db2.gz RDKYBQACSDTQMZ-HNNXBMFYSA-N 0 3 336.432 2.460 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001208987905 1324750530 /nfs/dbraw/zinc/75/05/30/1324750530.db2.gz RDKYBQACSDTQMZ-HNNXBMFYSA-N 0 3 336.432 2.460 20 10 EECDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCNC[C@H]2F)c1 ZINC001579589535 1344397372 /nfs/dbraw/zinc/39/73/72/1344397372.db2.gz KBEWYVUSKPJWBU-MSOLQXFVSA-N 0 3 343.402 2.336 20 10 EECDHN CC(=O)N1CCC[C@@]2(CN(Cc3c(C)ccc(C)c3O)CCO2)C1 ZINC001140180336 1372546056 /nfs/dbraw/zinc/54/60/56/1372546056.db2.gz VGWTYYURWPHWHX-LJQANCHMSA-N 0 3 332.444 2.222 20 10 EECDHN Cc1ccc(CN2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c(O)c1 ZINC001140952315 1372725819 /nfs/dbraw/zinc/72/58/19/1372725819.db2.gz MWNQHVNHBGTQPG-IBGZPJMESA-N 0 3 345.443 2.288 20 10 EECDHN CN1CCN(c2ccc(CNc3ccc4c(n3)NCCO4)cc2)CC1 ZINC001167437647 759396869 /nfs/dbraw/zinc/39/68/69/759396869.db2.gz WZRFCXWPJQYXHP-UHFFFAOYSA-N 0 3 339.443 2.250 20 10 EECDHN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920868906 770890953 /nfs/dbraw/zinc/89/09/53/770890953.db2.gz FBYXLTWQMLQZLT-JYJNAYRXSA-N 0 3 333.476 2.477 20 10 EECDHN CN(C(=O)NCCCSc1nccs1)[C@@H]1CCCN(C)C1 ZINC000893645755 778278934 /nfs/dbraw/zinc/27/89/34/778278934.db2.gz MERRCIRDQXPAHA-GFCCVEGCSA-N 0 3 328.507 2.361 20 10 EECDHN C[C@]1([NH3+])CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001204946950 781022995 /nfs/dbraw/zinc/02/29/95/781022995.db2.gz VBOYJRRKGRGYDM-ZDUSSCGKSA-N 0 3 346.212 2.310 20 10 EECDHN C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000817981979 785131900 /nfs/dbraw/zinc/13/19/00/785131900.db2.gz OZAXVBZZXYEHLG-NXEZZACHSA-N 0 3 347.228 2.323 20 10 EECDHN O=C(N1C[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824828272 788331066 /nfs/dbraw/zinc/33/10/66/788331066.db2.gz MVSICBCMVGGBEM-ZYHUDNBSSA-N 0 3 346.324 2.374 20 10 EECDHN O=C(N1C[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824828272 788331070 /nfs/dbraw/zinc/33/10/70/788331070.db2.gz MVSICBCMVGGBEM-ZYHUDNBSSA-N 0 3 346.324 2.374 20 10 EECDHN [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148224799 792260049 /nfs/dbraw/zinc/26/00/49/792260049.db2.gz VPWHTHNHTLUCLR-UHFFFAOYSA-N 0 3 330.359 2.327 20 10 EECDHN COc1ccc(N2CCN([C@H]3CCN4C(=O)CC[C@@H]4C3)CC2)c(C)c1 ZINC001172185880 796897442 /nfs/dbraw/zinc/89/74/42/796897442.db2.gz QVKFJDFYOGFSLH-DLBZAZTESA-N 0 3 343.471 2.279 20 10 EECDHN C[C@H]1C[C@@H]([NH3+])CN(Cc2ccc(I)cc2[O-])C1 ZINC001236052023 798325452 /nfs/dbraw/zinc/32/54/52/798325452.db2.gz ZKQGDTYJZDNQGO-JOYOIKCWSA-N 0 3 346.212 2.166 20 10 EECDHN CN1CCN(c2cc(C[NH2+]Cc3c([O-])cccc3Cl)ccn2)CC1 ZINC000113322926 529776933 /nfs/dbraw/zinc/77/69/33/529776933.db2.gz MULKAUIIVZMPDI-UHFFFAOYSA-N 0 3 346.862 2.482 20 10 EECDHN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000292820562 464353367 /nfs/dbraw/zinc/35/33/67/464353367.db2.gz PWJHQJNTZAAQEQ-AEFFLSMTSA-N 0 3 333.428 2.491 20 10 EECDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CN1C1CC1 ZINC000127633152 462570326 /nfs/dbraw/zinc/57/03/26/462570326.db2.gz RBITWEPQLLVGQB-GXTWGEPZSA-N 0 3 334.439 2.316 20 10 EECDHN CC[C@H](N[C@@H](CC)c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC000165109597 463639003 /nfs/dbraw/zinc/63/90/03/463639003.db2.gz PIZQXQYDZKECKR-ROUUACIJSA-N 0 3 333.476 2.431 20 10 EECDHN Cc1ccc(S(=O)(=O)NCCNCc2cc(C)ccc2O)cc1 ZINC000172116339 463991691 /nfs/dbraw/zinc/99/16/91/463991691.db2.gz AKHPXPJAMPMALF-UHFFFAOYSA-N 0 3 334.441 2.077 20 10 EECDHN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000172116339 463991699 /nfs/dbraw/zinc/99/16/99/463991699.db2.gz AKHPXPJAMPMALF-UHFFFAOYSA-N 0 3 334.441 2.077 20 10 EECDHN COc1cc(O)c(CN2CCC(c3nc(C)no3)CC2)cc1OC ZINC000179476370 464142219 /nfs/dbraw/zinc/14/22/19/464142219.db2.gz UJAVXGGQFHYUHB-UHFFFAOYSA-N 0 3 333.388 2.480 20 10 EECDHN CC1CCN(c2ccc(CNC(=O)CNC[C@@H]3CCCO3)cc2)CC1 ZINC000236673102 464217787 /nfs/dbraw/zinc/21/77/87/464217787.db2.gz VWTXRWCZHHHHSR-IBGZPJMESA-N 0 3 345.487 2.308 20 10 EECDHN COc1cccc(CNCC(=O)N2CCCc3ccccc32)c1O ZINC000237366281 464310127 /nfs/dbraw/zinc/31/01/27/464310127.db2.gz FCRMKKRFYUZJLT-UHFFFAOYSA-N 0 3 326.396 2.470 20 10 EECDHN CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)NC(C)C)cc1 ZINC000180476902 464317767 /nfs/dbraw/zinc/31/77/67/464317767.db2.gz VNMSOUMOMCOGDC-CQSZACIVSA-N 0 3 327.494 2.121 20 10 EECDHN Cc1nnc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])[nH]1 ZINC000273444182 464716683 /nfs/dbraw/zinc/71/66/83/464716683.db2.gz NNCIUMSGAJSCTF-QMMMGPOBSA-N 0 3 325.210 2.475 20 10 EECDHN Cc1nc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])n[nH]1 ZINC000273444182 464716679 /nfs/dbraw/zinc/71/66/79/464716679.db2.gz NNCIUMSGAJSCTF-QMMMGPOBSA-N 0 3 325.210 2.475 20 10 EECDHN O=S(=O)(CC[NH2+]Cc1cc(F)ccc1[O-])CCc1ccccc1 ZINC000282790416 464950343 /nfs/dbraw/zinc/95/03/43/464950343.db2.gz RDMUNVZGNUDYRI-UHFFFAOYSA-N 0 3 337.416 2.278 20 10 EECDHN Cc1cccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1[O-] ZINC000371427400 465791338 /nfs/dbraw/zinc/79/13/38/465791338.db2.gz VXPHYVFWOYZBOP-UHFFFAOYSA-N 0 3 332.444 2.208 20 10 EECDHN COc1ccc([O-])c(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000302098898 466096156 /nfs/dbraw/zinc/09/61/56/466096156.db2.gz UZVICXHSERLRBD-FOLVSLTJSA-N 0 3 334.416 2.356 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1COCCN1 ZINC000530181895 467959559 /nfs/dbraw/zinc/95/95/59/467959559.db2.gz PSPPKUFWANUHBJ-QGZVFWFLSA-N 0 3 328.412 2.049 20 10 EECDHN CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC1CC1 ZINC000112210502 527912941 /nfs/dbraw/zinc/91/29/41/527912941.db2.gz QPWACVZVNFTKQL-UHFFFAOYSA-N 0 3 349.450 2.010 20 10 EECDHN O=S1(=O)CCN(c2ccc(CNCc3ccc(F)cc3)cc2)CC1 ZINC000733330659 577223255 /nfs/dbraw/zinc/22/32/55/577223255.db2.gz HBQXJIZAIHTARD-UHFFFAOYSA-N 0 3 348.443 2.350 20 10 EECDHN COCC1(C)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000773729025 577361538 /nfs/dbraw/zinc/36/15/38/577361538.db2.gz BXINFIVUQJWYSY-UHFFFAOYSA-N 0 3 347.503 2.460 20 10 EECDHN CCN(C)c1ccc(CN2CCN(CCC(=O)OC)C[C@H]2C)cc1 ZINC000773831961 577366787 /nfs/dbraw/zinc/36/67/87/577366787.db2.gz LVJQWJAMESLSTN-MRXNPFEDSA-N 0 3 333.476 2.212 20 10 EECDHN CN1CCN(c2ccc(CN3CCS[C@H]4COCC[C@H]43)cc2)CC1 ZINC000775736283 577444268 /nfs/dbraw/zinc/44/42/68/577444268.db2.gz BKBBUJZUIMNAMC-MOPGFXCFSA-N 0 3 347.528 2.145 20 10 EECDHN Cc1ccc(O)c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000768302547 577553469 /nfs/dbraw/zinc/55/34/69/577553469.db2.gz HXBUIAMOMMAKHN-UHFFFAOYSA-N 0 3 328.372 2.326 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000756548855 577846413 /nfs/dbraw/zinc/84/64/13/577846413.db2.gz LPBLJTISTMXOMV-NFAWXSAZSA-N 0 3 349.450 2.257 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000741790613 578124289 /nfs/dbraw/zinc/12/42/89/578124289.db2.gz IYCSKHWKQDLUAB-SJORKVTESA-N 0 3 345.487 2.464 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCCOC2)N(C)C)cc1 ZINC000891246798 676240062 /nfs/dbraw/zinc/24/00/62/676240062.db2.gz DTTRDSRFOGOWJC-HKUYNNGSSA-N 0 3 333.476 2.288 20 10 EECDHN COc1ncccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256208 676252133 /nfs/dbraw/zinc/25/21/33/676252133.db2.gz VRBFQIHUXRCYMB-QGZVFWFLSA-N 0 3 342.443 2.189 20 10 EECDHN COC[C@H](C)N1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340864 681185470 /nfs/dbraw/zinc/18/54/70/681185470.db2.gz XAIKRZAYWMPFKM-WFASDCNBSA-N 0 3 347.419 2.078 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC2CC(F)(F)C2)N(C)C)cc1 ZINC000894442855 682893947 /nfs/dbraw/zinc/89/39/47/682893947.db2.gz HTYOLKOFXGNVPN-OAHLLOKOSA-N 0 3 340.418 2.452 20 10 EECDHN COc1cc(C)cc(CNC[C@H](n2cncn2)C(F)(F)F)c1O ZINC000895439572 684601304 /nfs/dbraw/zinc/60/13/04/684601304.db2.gz HMBQYBVMDJORKT-LBPRGKRZSA-N 0 3 330.310 2.194 20 10 EECDHN COC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102994 693607203 /nfs/dbraw/zinc/60/72/03/693607203.db2.gz UIHCRENGHKCIES-CRAIPNDOSA-N 0 3 348.491 2.033 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)C2CCOCC2)N(C)C)cc1 ZINC000899101002 693612785 /nfs/dbraw/zinc/61/27/85/693612785.db2.gz GLFIROJKMIKIMW-SFHVURJKSA-N 0 3 348.491 2.176 20 10 EECDHN O=C(NCC(F)F)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001272988058 1194296466 /nfs/dbraw/zinc/29/64/66/1194296466.db2.gz NPAYURUPOWTGPK-ZDUSSCGKSA-N 0 3 340.370 2.081 20 10 EECDHN COC[C@H](NCc1ccc(OC)c(Cn2cccn2)c1)[C@H]1CCCO1 ZINC000873117726 1198503698 /nfs/dbraw/zinc/50/36/98/1198503698.db2.gz YPHUJEVDKUYQDE-PKOBYXMFSA-N 0 3 345.443 2.224 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1ccccc1[O-] ZINC000879648458 1201193484 /nfs/dbraw/zinc/19/34/84/1201193484.db2.gz PZQCAIHFGCYLKI-CYBMUJFWSA-N 0 3 332.375 2.377 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1ccccc1[O-] ZINC000879648471 1201193935 /nfs/dbraw/zinc/19/39/35/1201193935.db2.gz QLSBURRUXCBAQT-UKRRQHHQSA-N 0 3 326.396 2.163 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2c(C)cccc2O)C1=O ZINC001274301555 1204990181 /nfs/dbraw/zinc/99/01/81/1204990181.db2.gz QVALTEDAANSDOR-IFXJQAMLSA-N 0 3 330.428 2.245 20 10 EECDHN CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)cc1O ZINC001275952652 1205600337 /nfs/dbraw/zinc/60/03/37/1205600337.db2.gz JKFBXPNMAYMRCJ-IYBDPMFKSA-N 0 3 342.443 2.163 20 10 EECDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CN1Cc1ccccc1 ZINC000193132883 1210737946 /nfs/dbraw/zinc/73/79/46/1210737946.db2.gz CAASBLIHPPOROT-UKRRQHHQSA-N 0 3 326.396 2.491 20 10 EECDHN CCOc1ccc(N2CCN(Cc3cccc(C)c3O)CC2)nn1 ZINC000827800607 1248774605 /nfs/dbraw/zinc/77/46/05/1248774605.db2.gz XHURAWJDXREWIN-UHFFFAOYSA-N 0 3 328.416 2.212 20 10 EECDHN CC[C@H](C)N1CC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184739 1234073156 /nfs/dbraw/zinc/07/31/56/1234073156.db2.gz FXPTZSKEXVRDJH-WMLDXEAASA-N 0 3 346.475 2.418 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)cc1 ZINC001047208533 1235672102 /nfs/dbraw/zinc/67/21/02/1235672102.db2.gz IHXBENGSSKJTTD-CQDKDKBSSA-N 0 3 347.394 2.401 20 10 EECDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211619 1293446417 /nfs/dbraw/zinc/44/64/17/1293446417.db2.gz XETHOSNVZXJGNY-HOTGVXAUSA-N 0 3 345.487 2.137 20 10 EECDHN CN(c1ccc(CNc2nc(N)nc(N)n2)cc1)C1CCCCC1 ZINC000858367609 1294097694 /nfs/dbraw/zinc/09/76/94/1294097694.db2.gz SSPCIPGSTJLUJH-UHFFFAOYSA-N 0 3 327.436 2.417 20 10 EECDHN CN(C)c1cc(F)c(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1F ZINC000862239147 1295766132 /nfs/dbraw/zinc/76/61/32/1295766132.db2.gz XGOUQSJJPHEKAX-FUHWJXTLSA-N 0 3 339.430 2.062 20 10 EECDHN CCN1CCN(c2ccc(O[C@@H]3CCNCC3(F)F)cc2)CC1 ZINC001218012420 1297548326 /nfs/dbraw/zinc/54/83/26/1297548326.db2.gz PLQHVXIWPPZRHG-MRXNPFEDSA-N 0 3 325.403 2.205 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c([O-])c1 ZINC001276806706 1298091381 /nfs/dbraw/zinc/09/13/81/1298091381.db2.gz SKRIUHFTYMSQLK-ROUUACIJSA-N 0 3 342.443 2.281 20 10 EECDHN COc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c([O-])c1 ZINC001276806706 1298091395 /nfs/dbraw/zinc/09/13/95/1298091395.db2.gz SKRIUHFTYMSQLK-ROUUACIJSA-N 0 3 342.443 2.281 20 10 EECDHN O=C([C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(O)c(O)c1)C2)N1CCCCO1 ZINC001276914403 1300237602 /nfs/dbraw/zinc/23/76/02/1300237602.db2.gz POHRFEBCIXPYIF-JLVBRIDZSA-N 0 3 346.427 2.110 20 10 EECDHN COC[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000781426750 1303793283 /nfs/dbraw/zinc/79/32/83/1303793283.db2.gz MPFDJCSLGHEDRO-DZGCQCFKSA-N 0 3 342.867 2.489 20 10 EECDHN COc1cc(CN2CCCC[C@@](O)(C(F)(F)F)C2)c(O)cc1O ZINC001231634120 1303871964 /nfs/dbraw/zinc/87/19/64/1303871964.db2.gz IKXUKALRZHUEDS-AWEZNQCLSA-N 0 3 335.322 2.386 20 10 EECDHN CC(C)(C)c1ccc(O)c(CN2CCN(CC(N)=O)C(C)(C)C2)c1 ZINC001233286404 1304417928 /nfs/dbraw/zinc/41/79/28/1304417928.db2.gz SKFLERALEAJJOV-UHFFFAOYSA-N 0 3 333.476 2.071 20 10 EECDHN CN(Cc1cc(O)c(O)cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233486110 1304478806 /nfs/dbraw/zinc/47/88/06/1304478806.db2.gz YTBIFVAHWGTKDR-LBPRGKRZSA-N 0 3 338.404 2.245 20 10 EECDHN CCN1CCN(c2ccc(O[C@@H](C(=O)OC)C(F)(F)F)cc2)CC1 ZINC001234658076 1305002794 /nfs/dbraw/zinc/00/27/94/1305002794.db2.gz SRFFROGVBSSHKN-AWEZNQCLSA-N 0 3 346.349 2.311 20 10 EECDHN COCCN(Cc1cc(Br)ccc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236328860 1305561420 /nfs/dbraw/zinc/56/14/20/1305561420.db2.gz QFCFTANZYNSGCM-CQSZACIVSA-N 0 3 343.265 2.355 20 10 EECDHN CC[C@H]([NH3+])CN(C)Cc1ccc(I)cc1[O-] ZINC001236884231 1305708013 /nfs/dbraw/zinc/70/80/13/1305708013.db2.gz MVMBNTJUDJYRGG-NSHDSACASA-N 0 3 334.201 2.166 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3C(C)=O)c([O-])c1 ZINC001237043076 1305777789 /nfs/dbraw/zinc/77/77/89/1305777789.db2.gz NHHDQGCWSXLITM-MJGOQNOKSA-N 0 3 348.443 2.003 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCCN3C(C)=O)c([O-])c1 ZINC001237043076 1305777797 /nfs/dbraw/zinc/77/77/97/1305777797.db2.gz NHHDQGCWSXLITM-MJGOQNOKSA-N 0 3 348.443 2.003 20 10 EECDHN COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@@H]21 ZINC001237059996 1305783346 /nfs/dbraw/zinc/78/33/46/1305783346.db2.gz SDPRTCDRPXPUKT-IMRBUKKESA-N 0 3 345.317 2.184 20 10 EECDHN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@@H]21 ZINC001237059996 1305783354 /nfs/dbraw/zinc/78/33/54/1305783354.db2.gz SDPRTCDRPXPUKT-IMRBUKKESA-N 0 3 345.317 2.184 20 10 EECDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(N(C)C)cc2C)C1(C)C ZINC000829764500 1314513890 /nfs/dbraw/zinc/51/38/90/1314513890.db2.gz NDBYYLGEEQFCQP-QFBILLFUSA-N 0 3 333.476 2.210 20 10 EECDHN CO[C@@H]1CN(Cc2ccc(C)cc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140954117 1314995507 /nfs/dbraw/zinc/99/55/07/1314995507.db2.gz MFKMISVJTPCWQS-GOEBONIOSA-N 0 3 336.432 2.425 20 10 EECDHN CCc1ncnc2c1CC[N@H+](Cc1c([O-])cc(OC)cc1OC)CC2 ZINC001141034436 1315021735 /nfs/dbraw/zinc/02/17/35/1315021735.db2.gz CYIYHGRAVAPFJQ-UHFFFAOYSA-N 0 3 343.427 2.363 20 10 EECDHN CCc1ncnc2c1CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)CC2 ZINC001141034436 1315021738 /nfs/dbraw/zinc/02/17/38/1315021738.db2.gz CYIYHGRAVAPFJQ-UHFFFAOYSA-N 0 3 343.427 2.363 20 10 EECDHN CN(C)c1ccc(CNC(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000841654705 1315591343 /nfs/dbraw/zinc/59/13/43/1315591343.db2.gz PBDMGRLOSYYKQL-LJQANCHMSA-N 0 3 338.455 2.439 20 10 EECDHN O=C(c1cscn1)N1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203556727 1321911925 /nfs/dbraw/zinc/91/19/25/1321911925.db2.gz VFYNCTWRHSWGGE-HIFRSBDPSA-N 0 3 343.452 2.443 20 10 EECDHN O=C(c1cscn1)N1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203556727 1321911927 /nfs/dbraw/zinc/91/19/27/1321911927.db2.gz VFYNCTWRHSWGGE-HIFRSBDPSA-N 0 3 343.452 2.443 20 10 EECDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001204274019 1322100573 /nfs/dbraw/zinc/10/05/73/1322100573.db2.gz YOLMDTYYZZGGQV-OAHLLOKOSA-N 0 3 341.411 2.427 20 10 EECDHN CC[N@H+](Cc1ccccc1[O-])CC1=C2CCOC(=O)C2=CN[C@@H]1C ZINC001209342184 1324907090 /nfs/dbraw/zinc/90/70/90/1324907090.db2.gz SGHYPAPHSCFXCH-CYBMUJFWSA-N 0 3 328.412 2.333 20 10 EECDHN CC[N@@H+](Cc1ccccc1[O-])CC1=C2CCOC(=O)C2=CN[C@@H]1C ZINC001209342184 1324907092 /nfs/dbraw/zinc/90/70/92/1324907092.db2.gz SGHYPAPHSCFXCH-CYBMUJFWSA-N 0 3 328.412 2.333 20 10 EECDHN CCOc1ccc(N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC001320395651 1332874411 /nfs/dbraw/zinc/87/44/11/1332874411.db2.gz XXQXCUIGUKGWKZ-SFHVURJKSA-N 0 3 333.476 2.320 20 10 EECDHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccc(N)cc2)cc1 ZINC001335724062 1336418343 /nfs/dbraw/zinc/41/83/43/1336418343.db2.gz FIVUSQUYJUNCSB-GOSISDBHSA-N 0 3 342.443 2.380 20 10 EECDHN CCCc1n[nH]cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336624807 1336572193 /nfs/dbraw/zinc/57/21/93/1336572193.db2.gz PYZDQGDRRIBNHA-SFHVURJKSA-N 0 3 343.475 2.461 20 10 EECDHN CC1=NO[C@](C)(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001337399629 1336695724 /nfs/dbraw/zinc/69/57/24/1336695724.db2.gz KEHJGQHLRGXUIK-WMZOPIPTSA-N 0 3 332.448 2.026 20 10 EECDHN C[C@@H]1[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCN1C ZINC001341781305 1337298756 /nfs/dbraw/zinc/29/87/56/1337298756.db2.gz PXPOVQWPLWQKBC-BXUZGUMPSA-N 0 3 330.457 2.139 20 10 EECDHN CN1CCN(c2ccc(CNCc3cccc(F)n3)cc2F)CC1 ZINC001341815732 1337299996 /nfs/dbraw/zinc/29/99/96/1337299996.db2.gz NINUKOYNPPXIQS-UHFFFAOYSA-N 0 3 332.398 2.401 20 10 EECDHN COc1ccc(CNC/C=C/CNC(=O)c2ccc(=O)[nH]c2)cc1C ZINC001754203059 1406867308 /nfs/dbraw/zinc/86/73/08/1406867308.db2.gz VOCAJVGVJLBEDK-ONEGZZNKSA-N 0 3 341.411 2.180 20 10 EECDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cn[nH]c1 ZINC000893858411 780245606 /nfs/dbraw/zinc/24/56/06/780245606.db2.gz YYLNZJBWYCRMIU-SUMWQHHRSA-N 0 3 344.463 2.139 20 10 EECDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000155599441 785971227 /nfs/dbraw/zinc/97/12/27/785971227.db2.gz RAVXFGFAMCHFFM-KRWDZBQOSA-N 0 3 349.450 2.010 20 10 EECDHN [O-]c1cc(Br)ccc1C[NH2+]CCCN1CCC(O)CC1 ZINC000825132245 788451955 /nfs/dbraw/zinc/45/19/55/788451955.db2.gz YSDDUVHZTWLCLL-UHFFFAOYSA-N 0 3 343.265 2.091 20 10 EECDHN OCCn1ncc2c1CCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921582160 789798486 /nfs/dbraw/zinc/79/84/86/789798486.db2.gz ICJWFBLSXJDFOP-KRWDZBQOSA-N 0 3 327.428 2.368 20 10 EECDHN O=C1C[C@@H](NCc2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001172682346 797054329 /nfs/dbraw/zinc/05/43/29/797054329.db2.gz MGLRTAFDQJEKHQ-INIZCTEOSA-N 0 3 326.396 2.379 20 10 EECDHN COCCN(C)c1ccc(CNCc2ccc3c(c2)CCO3)cn1 ZINC000790954922 809004439 /nfs/dbraw/zinc/00/44/39/809004439.db2.gz CRMBOVOXZRTBDH-UHFFFAOYSA-N 0 3 327.428 2.389 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000808683796 812792505 /nfs/dbraw/zinc/79/25/05/812792505.db2.gz JYBQJRRYVRDIHH-DGCLKSJQSA-N 0 3 346.880 2.429 20 10 EECDHN C[NH+](C)CCCOc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000193018909 237362471 /nfs/dbraw/zinc/36/24/71/237362471.db2.gz DWIIWWBTHGPZRA-UHFFFAOYSA-N 0 3 344.411 2.358 20 10 EECDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000193144726 237371627 /nfs/dbraw/zinc/37/16/27/237371627.db2.gz LVXAAPAUQYOGRR-ZDUSSCGKSA-N 0 3 341.411 2.448 20 10 EECDHN CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000155111545 462848422 /nfs/dbraw/zinc/84/84/22/462848422.db2.gz AHKVMPHYHZVZAM-QGZVFWFLSA-N 0 3 333.476 2.424 20 10 EECDHN CN(C)c1ccc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000092009860 462918179 /nfs/dbraw/zinc/91/81/79/462918179.db2.gz QSJVYHOJIPTCIH-AEFFLSMTSA-N 0 3 328.460 2.432 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277015457 463844341 /nfs/dbraw/zinc/84/43/41/463844341.db2.gz LZQYJLRTCOBYSA-UHFFFAOYSA-N 0 3 328.416 2.340 20 10 EECDHN CCOc1ccnc(N2CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC000180271517 464278196 /nfs/dbraw/zinc/27/81/96/464278196.db2.gz TUPRBQMLJKVWRC-UHFFFAOYSA-N 0 3 346.406 2.432 20 10 EECDHN CCOc1ccnc(N2CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC000180271517 464278201 /nfs/dbraw/zinc/27/82/01/464278201.db2.gz TUPRBQMLJKVWRC-UHFFFAOYSA-N 0 3 346.406 2.432 20 10 EECDHN CO[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000281609760 464520049 /nfs/dbraw/zinc/52/00/49/464520049.db2.gz GMDRPFJTFKOAAH-YJBOKZPZSA-N 0 3 333.476 2.210 20 10 EECDHN Cc1ccc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c(O)c1O ZINC000182558761 464682174 /nfs/dbraw/zinc/68/21/74/464682174.db2.gz BLNCPCQVWZELIK-LZWOXQAQSA-N 0 3 330.428 2.353 20 10 EECDHN Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])n1 ZINC000273396780 464712926 /nfs/dbraw/zinc/71/29/26/464712926.db2.gz FQPNZURDRDDXLS-QMMMGPOBSA-N 0 3 325.210 2.475 20 10 EECDHN Cc1nc(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])n[nH]1 ZINC000273396780 464712931 /nfs/dbraw/zinc/71/29/31/464712931.db2.gz FQPNZURDRDDXLS-QMMMGPOBSA-N 0 3 325.210 2.475 20 10 EECDHN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(C)ccc2O)c1 ZINC000273435583 464714867 /nfs/dbraw/zinc/71/48/67/464714867.db2.gz WUTYTLGFILJTRV-ZDUSSCGKSA-N 0 3 334.441 2.460 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1C ZINC000273598022 464721299 /nfs/dbraw/zinc/72/12/99/464721299.db2.gz RBYWLYOECPCSPM-ZIAGYGMSSA-N 0 3 326.462 2.084 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1C ZINC000273598020 464721628 /nfs/dbraw/zinc/72/16/28/464721628.db2.gz RBYWLYOECPCSPM-UONOGXRCSA-N 0 3 326.462 2.084 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000295160514 464728499 /nfs/dbraw/zinc/72/84/99/464728499.db2.gz SCRFOQVAFUQNCB-UHFFFAOYSA-N 0 3 341.473 2.484 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000183374346 464857311 /nfs/dbraw/zinc/85/73/11/464857311.db2.gz RYJJSNNZDXAVAJ-JTQLQIEISA-N 0 3 327.222 2.160 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000183374346 464857316 /nfs/dbraw/zinc/85/73/16/464857316.db2.gz RYJJSNNZDXAVAJ-JTQLQIEISA-N 0 3 327.222 2.160 20 10 EECDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000361955933 466437132 /nfs/dbraw/zinc/43/71/32/466437132.db2.gz ZMPIYXDRDIEBGP-GOSISDBHSA-N 0 3 345.487 2.117 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378377136 467284794 /nfs/dbraw/zinc/28/47/94/467284794.db2.gz MCUDVNDTZXCEIF-JKSUJKDBSA-N 0 3 331.416 2.222 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378377136 467284800 /nfs/dbraw/zinc/28/48/00/467284800.db2.gz MCUDVNDTZXCEIF-JKSUJKDBSA-N 0 3 331.416 2.222 20 10 EECDHN Cc1csc(=O)n1CCN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256973 577433770 /nfs/dbraw/zinc/43/37/70/577433770.db2.gz BNJYQHIZEVIGLJ-OAHLLOKOSA-N 0 3 347.484 2.406 20 10 EECDHN CCCn1ccnc1CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000762073879 577694498 /nfs/dbraw/zinc/69/44/98/577694498.db2.gz KVCDGSKCSBTSJB-KRWDZBQOSA-N 0 3 345.443 2.489 20 10 EECDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000762073879 577694499 /nfs/dbraw/zinc/69/44/99/577694499.db2.gz KVCDGSKCSBTSJB-KRWDZBQOSA-N 0 3 345.443 2.489 20 10 EECDHN C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000756482932 577844932 /nfs/dbraw/zinc/84/49/32/577844932.db2.gz LCPAZUKXOHSYTP-LBPRGKRZSA-N 0 3 338.404 2.160 20 10 EECDHN CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000757706606 577862889 /nfs/dbraw/zinc/86/28/89/577862889.db2.gz XMXIZUZOKPMHTM-AWEZNQCLSA-N 0 3 340.489 2.413 20 10 EECDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000757770938 577863932 /nfs/dbraw/zinc/86/39/32/577863932.db2.gz GKTNAWOINUMCAM-BFQNTYOBSA-N 0 3 333.432 2.244 20 10 EECDHN CCN1CCC[C@@H]1CNC(=S)NCc1ccc(N(C)C)c(F)c1 ZINC000746685535 577932518 /nfs/dbraw/zinc/93/25/18/577932518.db2.gz SZOCQYRXWLOMGR-CQSZACIVSA-N 0 3 338.496 2.340 20 10 EECDHN O=C(NCc1ccccc1O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000749941780 577984200 /nfs/dbraw/zinc/98/42/00/577984200.db2.gz OQHSENIFIBEBKF-KRWDZBQOSA-N 0 3 325.412 2.316 20 10 EECDHN Cc1ncc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891245745 676239101 /nfs/dbraw/zinc/23/91/01/676239101.db2.gz IPJXMZGVQZIRIV-KRWDZBQOSA-N 0 3 330.432 2.011 20 10 EECDHN CCc1nc[nH]c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245959 676239410 /nfs/dbraw/zinc/23/94/10/676239410.db2.gz KRQSJNJMIIAFTR-INIZCTEOSA-N 0 3 329.448 2.071 20 10 EECDHN Cc1ccn(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250068 676246056 /nfs/dbraw/zinc/24/60/56/676246056.db2.gz YQCAQFBEESKRSQ-KRWDZBQOSA-N 0 3 328.460 2.432 20 10 EECDHN Cc1cc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891252736 676248529 /nfs/dbraw/zinc/24/85/29/676248529.db2.gz NHFXAGRHKYCGEI-KRWDZBQOSA-N 0 3 330.432 2.011 20 10 EECDHN CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272619660 1190933751 /nfs/dbraw/zinc/93/37/51/1190933751.db2.gz XWZQYJIETGUUCS-IBGZPJMESA-N 0 3 332.444 2.099 20 10 EECDHN CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272619660 1190933754 /nfs/dbraw/zinc/93/37/54/1190933754.db2.gz XWZQYJIETGUUCS-IBGZPJMESA-N 0 3 332.444 2.099 20 10 EECDHN COC(=O)c1cc(CNC[C@H]2CCN(c3ccc(OC)cc3)C2)on1 ZINC000877597911 1199976971 /nfs/dbraw/zinc/97/69/71/1199976971.db2.gz CGAVSVQNQVDFRG-CYBMUJFWSA-N 0 3 345.399 2.086 20 10 EECDHN COc1cccc(O)c1CN[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000812782737 1200912977 /nfs/dbraw/zinc/91/29/77/1200912977.db2.gz GSJPBGOWLUJZPI-GFCCVEGCSA-N 0 3 330.359 2.435 20 10 EECDHN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCCCN1C1CC1 ZINC000925383351 1206105154 /nfs/dbraw/zinc/10/51/54/1206105154.db2.gz SAPOPFGCFAFLPU-MRXNPFEDSA-N 0 3 343.427 2.173 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Nc2cnsn2)N(C)C)cc1 ZINC000931394220 1206626378 /nfs/dbraw/zinc/62/63/78/1206626378.db2.gz UPSJBEJZSJCYAK-ZDUSSCGKSA-N 0 3 334.449 2.029 20 10 EECDHN COc1ccc(N2C[C@@H]([NH2+]Cc3cc(F)ccc3[O-])CC2=O)cc1 ZINC000826980908 1248338363 /nfs/dbraw/zinc/33/83/63/1248338363.db2.gz BJDIMCHPAXSAPF-AWEZNQCLSA-N 0 3 330.359 2.435 20 10 EECDHN CCN1CCCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000104137111 1284913673 /nfs/dbraw/zinc/91/36/73/1284913673.db2.gz WNDCKFMWYXLTFJ-IBGZPJMESA-N 0 3 345.487 2.356 20 10 EECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211620 1293446249 /nfs/dbraw/zinc/44/62/49/1293446249.db2.gz XETHOSNVZXJGNY-HZPDHXFCSA-N 0 3 345.487 2.137 20 10 EECDHN CN(C)c1cc(F)c(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1F ZINC000862381063 1295816627 /nfs/dbraw/zinc/81/66/27/1295816627.db2.gz TXLSEYCSDGUDIV-ZWKOTPCHSA-N 0 3 340.414 2.441 20 10 EECDHN CCOC(=O)[C@@H]1CNCCN1Cc1cccc(-c2ccccc2)c1O ZINC001222081636 1299331983 /nfs/dbraw/zinc/33/19/83/1299331983.db2.gz ZEFLXRQQGGINTD-SFHVURJKSA-N 0 3 340.423 2.396 20 10 EECDHN COc1ccc(N2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c(OC)c1 ZINC001276993672 1300720116 /nfs/dbraw/zinc/72/01/16/1300720116.db2.gz CBQFZFJWSJVUHS-WMLDXEAASA-N 0 3 328.416 2.138 20 10 EECDHN O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2)N1CC=CC1 ZINC001277196515 1301766992 /nfs/dbraw/zinc/76/69/92/1301766992.db2.gz JGMUWTSPNZJYGN-YLJYHZDGSA-N 0 3 342.439 2.488 20 10 EECDHN O=C([C@H]1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2)N1CC=CC1 ZINC001277196515 1301766995 /nfs/dbraw/zinc/76/69/95/1301766995.db2.gz JGMUWTSPNZJYGN-YLJYHZDGSA-N 0 3 342.439 2.488 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c1[O-] ZINC001233291314 1304419277 /nfs/dbraw/zinc/41/92/77/1304419277.db2.gz VVINJCQOHLNEPG-BXUZGUMPSA-N 0 3 338.835 2.497 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c1[O-] ZINC001233291314 1304419282 /nfs/dbraw/zinc/41/92/82/1304419282.db2.gz VVINJCQOHLNEPG-BXUZGUMPSA-N 0 3 338.835 2.497 20 10 EECDHN CC(C)C(=O)N1CCC[C@@]12CCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233485509 1304478110 /nfs/dbraw/zinc/47/81/10/1304478110.db2.gz YZMNGNXGMFMZCW-SFHVURJKSA-N 0 3 334.416 2.026 20 10 EECDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c([O-])c1 ZINC001235683893 1305327850 /nfs/dbraw/zinc/32/78/50/1305327850.db2.gz WUCWQAICIRLXOS-UHFFFAOYSA-N 0 3 332.444 2.171 20 10 EECDHN COc1cc([O-])c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c(Br)c1 ZINC001236079268 1305494345 /nfs/dbraw/zinc/49/43/45/1305494345.db2.gz PBEARZAVTLOQCT-UWVGGRQHSA-N 0 3 329.238 2.346 20 10 EECDHN COCCN(Cc1c([O-])cccc1Br)[C@H]1CCC[NH2+]C1 ZINC001236331111 1305561332 /nfs/dbraw/zinc/56/13/32/1305561332.db2.gz NYMYFEKEBZGKGL-LBPRGKRZSA-N 0 3 343.265 2.355 20 10 EECDHN O=C(NC1CC1)N[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001116583896 1305902377 /nfs/dbraw/zinc/90/23/77/1305902377.db2.gz WXLSVSVWDVWBPZ-QGZVFWFLSA-N 0 3 328.460 2.323 20 10 EECDHN Cc1ccncc1CNCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153048167 1316767079 /nfs/dbraw/zinc/76/70/79/1316767079.db2.gz UWHDZNLDZGDMSP-UHFFFAOYSA-N 0 3 340.387 2.072 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC(c3ncccn3)CC2)c([O-])c1 ZINC001249201234 1317021974 /nfs/dbraw/zinc/02/19/74/1317021974.db2.gz LKFCMKBLAGSTTK-UHFFFAOYSA-N 0 3 341.411 2.277 20 10 EECDHN CCN1CCN(c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)CC1 ZINC001250861418 1317351919 /nfs/dbraw/zinc/35/19/19/1317351919.db2.gz OVEPOORAGMLYBU-UHFFFAOYSA-N 0 3 349.438 2.471 20 10 EECDHN C[C@H]([NH2+]C[C@@H](O)COCC(F)(F)C(F)F)c1ccccc1[O-] ZINC001251633307 1317479756 /nfs/dbraw/zinc/47/97/56/1317479756.db2.gz QALTXDKPPXGTFN-VHSXEESVSA-N 0 3 325.302 2.321 20 10 EECDHN Oc1cc(O)c(CCNc2cc(Cl)nc3c2CCNC3)cc1O ZINC001157245049 1318517121 /nfs/dbraw/zinc/51/71/21/1318517121.db2.gz HZYRXESJYLTRBO-UHFFFAOYSA-N 0 3 335.791 2.152 20 10 EECDHN COc1ccc2c(c1)c1c(n2C)CCN(c2cc3c(nn2)CCNC3)C1 ZINC001166818812 1321793988 /nfs/dbraw/zinc/79/39/88/1321793988.db2.gz VWAJNPJBXAFTQF-UHFFFAOYSA-N 0 3 349.438 2.185 20 10 EECDHN CS(=O)(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552204 1321910511 /nfs/dbraw/zinc/91/05/11/1321910511.db2.gz DTCDFDPNWFFMFI-QGZVFWFLSA-N 0 3 338.473 2.172 20 10 EECDHN CS(=O)(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552204 1321910513 /nfs/dbraw/zinc/91/05/13/1321910513.db2.gz DTCDFDPNWFFMFI-QGZVFWFLSA-N 0 3 338.473 2.172 20 10 EECDHN O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552246 1321910630 /nfs/dbraw/zinc/91/06/30/1321910630.db2.gz GCZCMXXLAYTUKQ-QGZVFWFLSA-N 0 3 337.423 2.426 20 10 EECDHN CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203556372 1321911556 /nfs/dbraw/zinc/91/15/56/1321911556.db2.gz OAJXYHHBVHSCEF-QGZVFWFLSA-N 0 3 346.471 2.489 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203623090 1321925110 /nfs/dbraw/zinc/92/51/10/1321925110.db2.gz HXLBKGYZEHNKGH-YOEHRIQHSA-N 0 3 332.444 2.480 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203623090 1321925114 /nfs/dbraw/zinc/92/51/14/1321925114.db2.gz HXLBKGYZEHNKGH-YOEHRIQHSA-N 0 3 332.444 2.480 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001203635159 1321929302 /nfs/dbraw/zinc/92/93/02/1321929302.db2.gz LWMLEVFGUBVJGC-OAHLLOKOSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001203635159 1321929306 /nfs/dbraw/zinc/92/93/06/1321929306.db2.gz LWMLEVFGUBVJGC-OAHLLOKOSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc(Br)cc(C[N@H+](C)CCC(=O)N(C)C)c1[O-] ZINC001204339495 1322113785 /nfs/dbraw/zinc/11/37/85/1322113785.db2.gz LVGAMHPZRDGLCH-UHFFFAOYSA-N 0 3 345.237 2.073 20 10 EECDHN COc1cc(Br)cc(C[N@@H+](C)CCC(=O)N(C)C)c1[O-] ZINC001204339495 1322113791 /nfs/dbraw/zinc/11/37/91/1322113791.db2.gz LVGAMHPZRDGLCH-UHFFFAOYSA-N 0 3 345.237 2.073 20 10 EECDHN Nc1ccc(CNC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC001262562645 1322323296 /nfs/dbraw/zinc/32/32/96/1322323296.db2.gz IADXAICJKRLNDZ-UHFFFAOYSA-N 0 3 348.516 2.430 20 10 EECDHN COc1cc([O-])c(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)c(Br)c1 ZINC001206201884 1323424748 /nfs/dbraw/zinc/42/47/48/1323424748.db2.gz ZPQYRQUDBRHHTD-OLZOCXBDSA-N 0 3 347.228 2.425 20 10 EECDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(OCC(N)=O)CC3)c2c1 ZINC001319450438 1332703683 /nfs/dbraw/zinc/70/36/83/1332703683.db2.gz ULJOJUIZJPGKNJ-UHFFFAOYSA-N 0 3 344.411 2.020 20 10 EECDHN COC1CCN(c2ccc(CN(C)[C@@H]3CCCCNC3=O)cc2)CC1 ZINC001327984505 1334374123 /nfs/dbraw/zinc/37/41/23/1334374123.db2.gz HKOOXCDRORVEIC-LJQANCHMSA-N 0 3 345.487 2.402 20 10 EECDHN COC(=O)CN(Cc1ccc(N2CCN(C)CC2)cc1)CC(C)C ZINC001337241593 1336669259 /nfs/dbraw/zinc/66/92/59/1336669259.db2.gz YWPOADFIZPHALS-UHFFFAOYSA-N 0 3 333.476 2.069 20 10 EECDHN CCN(CCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OCO2 ZINC000862468452 1369537227 /nfs/dbraw/zinc/53/72/27/1369537227.db2.gz IMQGWLTUJRYUHX-UHFFFAOYSA-N 0 3 338.404 2.468 20 10 EECDHN CN(C)C(=O)NC1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138359292 1372386558 /nfs/dbraw/zinc/38/65/58/1372386558.db2.gz PNZNZQKFUSJHDJ-UHFFFAOYSA-N 0 3 330.476 2.305 20 10 EECDHN COC(=O)C1(C)CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140286035 1372556494 /nfs/dbraw/zinc/55/64/94/1372556494.db2.gz IIKLSJYHIOSVKC-UHFFFAOYSA-N 0 3 346.471 2.423 20 10 EECDHN COc1cc(O)c(CN2CCC[C@H](Oc3cnccn3)C2)c(OC)c1 ZINC001141032628 1372746267 /nfs/dbraw/zinc/74/62/67/1372746267.db2.gz JPYNTIVFKQMVGB-ZDUSSCGKSA-N 0 3 345.399 2.243 20 10 EECDHN C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(F)ccc1[O-] ZINC000840781842 782982394 /nfs/dbraw/zinc/98/23/94/782982394.db2.gz XJWDOPYQIQFOLY-CQSZACIVSA-N 0 3 338.423 2.063 20 10 EECDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183460955 780987802 /nfs/dbraw/zinc/98/78/02/780987802.db2.gz HXCBKFLQFKOBSZ-CQSZACIVSA-N 0 3 334.441 2.330 20 10 EECDHN CN1CCN(c2ccc(C[NH2+][C@H]3CCc4cccc([O-])c43)cn2)CC1 ZINC000295952237 465032761 /nfs/dbraw/zinc/03/27/61/465032761.db2.gz LMZIMPJFFLTUOY-KRWDZBQOSA-N 0 3 338.455 2.316 20 10 EECDHN COC[C@@]1(C)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000296723716 465231665 /nfs/dbraw/zinc/23/16/65/465231665.db2.gz NQDUFCMCQOIBOO-IBGZPJMESA-N 0 3 333.476 2.069 20 10 EECDHN CN(C)c1ccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000077458413 462988843 /nfs/dbraw/zinc/98/88/43/462988843.db2.gz RNWJBRBDXHALDU-UONOGXRCSA-N 0 3 328.453 2.337 20 10 EECDHN COc1cc(Br)cc(CN2CC[C@H]([NH3+])C[C@@H]2C)c1[O-] ZINC000097095759 463321480 /nfs/dbraw/zinc/32/14/80/463321480.db2.gz UBPAARONCGZSRS-CABZTGNLSA-N 0 3 329.238 2.475 20 10 EECDHN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(F)ccc1[O-] ZINC000185141342 463761740 /nfs/dbraw/zinc/76/17/40/463761740.db2.gz ATHWMFZSZDILNA-GUYCJALGSA-N 0 3 340.464 2.390 20 10 EECDHN CC(C)[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000269262001 463933078 /nfs/dbraw/zinc/93/30/78/463933078.db2.gz WPVSGFOBTPTMAN-XNJGSVPQSA-N 0 3 337.439 2.039 20 10 EECDHN Cc1cc(N2CC[C@@H](N[C@@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186083131 463933230 /nfs/dbraw/zinc/93/32/30/463933230.db2.gz DVKSLANDCIUGJG-DZGCQCFKSA-N 0 3 328.416 2.199 20 10 EECDHN COc1ccc(C[C@H](CO)C[NH2+]Cc2cccc(C)c2[O-])cc1O ZINC000289388341 464077038 /nfs/dbraw/zinc/07/70/38/464077038.db2.gz DKYZDVNFVMECIL-HNNXBMFYSA-N 0 3 331.412 2.356 20 10 EECDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(N3CCCC3)cc2)C1(C)C ZINC000188093808 464197608 /nfs/dbraw/zinc/19/76/08/464197608.db2.gz NULRDDIJIMCGMS-FXAWDEMLSA-N 0 3 345.487 2.436 20 10 EECDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1[O-] ZINC000189156751 464447233 /nfs/dbraw/zinc/44/72/33/464447233.db2.gz JWJFXMCLEQKQPP-KRWDZBQOSA-N 0 3 349.452 2.399 20 10 EECDHN CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000273391915 464712942 /nfs/dbraw/zinc/71/29/42/464712942.db2.gz KYKANDFJBNBSEY-LLVKDONJSA-N 0 3 338.404 2.290 20 10 EECDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000183349568 464853506 /nfs/dbraw/zinc/85/35/06/464853506.db2.gz PKFPERRPXGPJHA-CABCVRRESA-N 0 3 328.416 2.362 20 10 EECDHN CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccccc1[O-])CC2 ZINC000372621921 466511438 /nfs/dbraw/zinc/51/14/38/466511438.db2.gz SXPHPUQSHYMKKZ-CQSZACIVSA-N 0 3 342.443 2.079 20 10 EECDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000418093784 467042578 /nfs/dbraw/zinc/04/25/78/467042578.db2.gz CKZYNUORISQPMS-HNNXBMFYSA-N 0 3 336.386 2.283 20 10 EECDHN CN1CCC(N2CC[C@@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000377387234 467055915 /nfs/dbraw/zinc/05/59/15/467055915.db2.gz STJNZCNEPUAEAY-GFCCVEGCSA-N 0 3 341.858 2.443 20 10 EECDHN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000377687939 467116653 /nfs/dbraw/zinc/11/66/53/467116653.db2.gz AZUYCGMVBHNFOJ-CVEARBPZSA-N 0 3 334.416 2.262 20 10 EECDHN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000377687939 467116656 /nfs/dbraw/zinc/11/66/56/467116656.db2.gz AZUYCGMVBHNFOJ-CVEARBPZSA-N 0 3 334.416 2.262 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378443312 467302725 /nfs/dbraw/zinc/30/27/25/467302725.db2.gz RZCBCBZEJUNZRE-MAUKXSAKSA-N 0 3 331.416 2.222 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378443312 467302729 /nfs/dbraw/zinc/30/27/29/467302729.db2.gz RZCBCBZEJUNZRE-MAUKXSAKSA-N 0 3 331.416 2.222 20 10 EECDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000104316121 528995978 /nfs/dbraw/zinc/99/59/78/528995978.db2.gz TUSYQOCZGLCHCF-GOSISDBHSA-N 0 3 331.460 2.014 20 10 EECDHN COCCN(C)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000726983386 576364273 /nfs/dbraw/zinc/36/42/73/576364273.db2.gz UCESOLUKHPRXDG-UHFFFAOYSA-N 0 3 329.444 2.402 20 10 EECDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(N(C)C)cc1 ZINC000775833195 577446850 /nfs/dbraw/zinc/44/68/50/577446850.db2.gz HXSYBFJSZMNVFU-CYBMUJFWSA-N 0 3 330.388 2.173 20 10 EECDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762721870 577706560 /nfs/dbraw/zinc/70/65/60/577706560.db2.gz PBBDSCCBEYCDHV-HXUWFJFHSA-N 0 3 341.455 2.199 20 10 EECDHN CC(C)NCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000753554408 577789886 /nfs/dbraw/zinc/78/98/86/577789886.db2.gz PTIHHWISJWTYLS-SFHVURJKSA-N 0 3 333.476 2.258 20 10 EECDHN CCN1CCN(CCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756408702 577843648 /nfs/dbraw/zinc/84/36/48/577843648.db2.gz RJWQOKANIDUQCU-CYBMUJFWSA-N 0 3 327.419 2.349 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c([O-])c1 ZINC000756837651 577850877 /nfs/dbraw/zinc/85/08/77/577850877.db2.gz INADMEYTOCOCNB-DVOMOZLQSA-N 0 3 328.416 2.279 20 10 EECDHN C[C@@H]1COCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247549 676242088 /nfs/dbraw/zinc/24/20/88/676242088.db2.gz IDEXQXFBHYWNKX-ZTFGCOKTSA-N 0 3 333.476 2.144 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)COC2CCCC2)N(C)C)cc1 ZINC000891251265 676247447 /nfs/dbraw/zinc/24/74/47/676247447.db2.gz BIAOCXXODUZWBC-GOSISDBHSA-N 0 3 333.476 2.431 20 10 EECDHN COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891255474 676252868 /nfs/dbraw/zinc/25/28/68/676252868.db2.gz QCBVGDAMNMWZCB-KRWDZBQOSA-N 0 3 342.443 2.189 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@H]2CCCO2)N(C)C)cc1 ZINC000891748530 676814568 /nfs/dbraw/zinc/81/45/68/676814568.db2.gz PTBMFMJHVWTTLN-QZTJIDSGSA-N 0 3 348.491 2.224 20 10 EECDHN COCCCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891901334 676896965 /nfs/dbraw/zinc/89/69/65/676896965.db2.gz AKNILSKRBBHCOF-KRWDZBQOSA-N 0 3 336.480 2.081 20 10 EECDHN COc1cc(C)cc(CNCc2cccnc2N2CCOCC2)c1O ZINC000894173398 682131817 /nfs/dbraw/zinc/13/18/17/682131817.db2.gz ZPQRWJZIKXPTIC-UHFFFAOYSA-N 0 3 343.427 2.231 20 10 EECDHN CO[C@@H](C)[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894977896 683447746 /nfs/dbraw/zinc/44/77/46/683447746.db2.gz WAFGBWATFRKSFE-JKIFEVAISA-N 0 3 336.480 2.078 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCC(C)(F)F)N(C)C)cc1 ZINC000895048409 683521617 /nfs/dbraw/zinc/52/16/17/683521617.db2.gz IDXWICBBOGTJJT-AWEZNQCLSA-N 0 3 328.407 2.310 20 10 EECDHN COC[C@@H]1CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098687 693611664 /nfs/dbraw/zinc/61/16/64/693611664.db2.gz RBBIXWXCRALATD-ROUUACIJSA-N 0 3 348.491 2.176 20 10 EECDHN COc1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)CC2 ZINC000783981478 1188721860 /nfs/dbraw/zinc/72/18/60/1188721860.db2.gz WOSWALHPPFVFTA-LJQANCHMSA-N 0 3 341.407 2.427 20 10 EECDHN COc1ccc2c(c1)CC[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)CC2 ZINC000783981478 1188721862 /nfs/dbraw/zinc/72/18/62/1188721862.db2.gz WOSWALHPPFVFTA-LJQANCHMSA-N 0 3 341.407 2.427 20 10 EECDHN CN1CCN(c2ccc(CNc3cc(NC4CC4)ncn3)cc2)CC1 ZINC000882879670 1201966090 /nfs/dbraw/zinc/96/60/90/1201966090.db2.gz HESWMDHYHWMULJ-UHFFFAOYSA-N 0 3 338.459 2.415 20 10 EECDHN Cc1nocc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000931817439 1207469830 /nfs/dbraw/zinc/46/98/30/1207469830.db2.gz UBIJFSBPKHRDKR-MRXNPFEDSA-N 0 3 331.420 2.473 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@H](CC3CC3)C2=O)N(C)C)cc1 ZINC000900185567 1234073980 /nfs/dbraw/zinc/07/39/80/1234073980.db2.gz OTOQYUIFMFDSCT-SJORKVTESA-N 0 3 344.459 2.076 20 10 EECDHN CCN(CC)c1ccc(CNC(=O)c2ccnn2CCN(C)C)cc1 ZINC000900261093 1234130675 /nfs/dbraw/zinc/13/06/75/1234130675.db2.gz NYVDRAYHLUGKIH-UHFFFAOYSA-N 0 3 343.475 2.221 20 10 EECDHN COc1ccc2c(c1O[C@H]1CNC[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001218019707 1297549806 /nfs/dbraw/zinc/54/98/06/1297549806.db2.gz KJEYHONHDCLDDI-ZFWWWQNUSA-N 0 3 341.338 2.159 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)cccc21 ZINC001218326412 1297633183 /nfs/dbraw/zinc/63/31/83/1297633183.db2.gz PBEIIIMIMJOXID-AKWBHNSASA-N 0 3 335.359 2.154 20 10 EECDHN O=C([C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2)N1CC=CC1 ZINC001277196549 1301766912 /nfs/dbraw/zinc/76/69/12/1301766912.db2.gz KCWWUMAHAVSYMG-INIZCTEOSA-N 0 3 328.412 2.098 20 10 EECDHN CN(C(=O)[C@@H]1CC12CN(Cc1ccccc1O)C2)C1CC(F)(F)C1 ZINC001277446621 1303081054 /nfs/dbraw/zinc/08/10/54/1303081054.db2.gz RUETUDSKFMQIKX-AWEZNQCLSA-N 0 3 336.382 2.470 20 10 EECDHN CCN(CC)c1ccc(CN2CC3(C[C@H]3C(=O)N(C)C)C2)c(O)c1 ZINC001277533606 1303848420 /nfs/dbraw/zinc/84/84/20/1303848420.db2.gz LQFHSXAKXWAEEE-INIZCTEOSA-N 0 3 331.460 2.149 20 10 EECDHN COc1cc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)c(O)cc1O ZINC001231639258 1303874840 /nfs/dbraw/zinc/87/48/40/1303874840.db2.gz GZCAQSPYUQUCFD-CQSZACIVSA-N 0 3 330.384 2.463 20 10 EECDHN CC(=O)N1CCCCC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233485312 1304477032 /nfs/dbraw/zinc/47/70/32/1304477032.db2.gz QMKRMZGECGXWCU-UHFFFAOYSA-N 0 3 334.416 2.170 20 10 EECDHN O=c1cc2[nH]cnc(O[C@H]3CC[C@H](N4CCOCC4)CC3)c-2cc1O ZINC001233948980 1304654313 /nfs/dbraw/zinc/65/43/13/1304654313.db2.gz RTVOKYVMFMYSNK-JOCQHMNTSA-N 0 3 345.399 2.063 20 10 EECDHN COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001236198398 1305531857 /nfs/dbraw/zinc/53/18/57/1305531857.db2.gz BPVZWJUORVGLFB-FZMZJTMJSA-N 0 3 340.851 2.418 20 10 EECDHN CN1CCN(Cc2cc(O)c(Br)cc2O)CC1(C)C ZINC001236772011 1305670164 /nfs/dbraw/zinc/67/01/64/1305670164.db2.gz WVZWGMHCEYHPAE-UHFFFAOYSA-N 0 3 329.238 2.386 20 10 EECDHN CC[N@@H+]1CCO[C@@H]2CN(Cc3c([O-])cc(OC)cc3Cl)C[C@@H]2C1 ZINC001236796580 1305679440 /nfs/dbraw/zinc/67/94/40/1305679440.db2.gz HUZZREOLIUIIRN-YVEFUNNKSA-N 0 3 340.851 2.207 20 10 EECDHN CC[N@H+]1CCO[C@@H]2CN(Cc3c([O-])cc(OC)cc3Cl)C[C@@H]2C1 ZINC001236796580 1305679445 /nfs/dbraw/zinc/67/94/45/1305679445.db2.gz HUZZREOLIUIIRN-YVEFUNNKSA-N 0 3 340.851 2.207 20 10 EECDHN CNc1ncccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120785433 1309749806 /nfs/dbraw/zinc/74/98/06/1309749806.db2.gz AHRUEESFUIHAJR-KRWDZBQOSA-N 0 3 341.459 2.222 20 10 EECDHN O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1 ZINC001140054200 1314806267 /nfs/dbraw/zinc/80/62/67/1314806267.db2.gz LRVQVNPDYPNDIJ-OKILXGFUSA-N 0 3 330.359 2.328 20 10 EECDHN O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1 ZINC001140054200 1314806269 /nfs/dbraw/zinc/80/62/69/1314806269.db2.gz LRVQVNPDYPNDIJ-OKILXGFUSA-N 0 3 330.359 2.328 20 10 EECDHN COc1ccnc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140750255 1314955625 /nfs/dbraw/zinc/95/56/25/1314955625.db2.gz ZCMJXQUPGJBCNE-UHFFFAOYSA-N 0 3 329.400 2.132 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c([O-])c1 ZINC001140950558 1314994745 /nfs/dbraw/zinc/99/47/45/1314994745.db2.gz YODASXLFCCRXTE-IYBDPMFKSA-N 0 3 326.396 2.498 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c([O-])c1 ZINC001140950558 1314994750 /nfs/dbraw/zinc/99/47/50/1314994750.db2.gz YODASXLFCCRXTE-IYBDPMFKSA-N 0 3 326.396 2.498 20 10 EECDHN Cc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c([O-])c1 ZINC001140950557 1314994874 /nfs/dbraw/zinc/99/48/74/1314994874.db2.gz YODASXLFCCRXTE-HZPDHXFCSA-N 0 3 326.396 2.498 20 10 EECDHN COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000839825346 1315249258 /nfs/dbraw/zinc/24/92/58/1315249258.db2.gz JPQCUYAASFJKFS-UHFFFAOYSA-N 0 3 346.383 2.299 20 10 EECDHN COc1ccc(O)c([C@@H](C)NC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000843488995 1315922844 /nfs/dbraw/zinc/92/28/44/1315922844.db2.gz AGVBQRJEQTUADG-GFCCVEGCSA-N 0 3 326.396 2.074 20 10 EECDHN O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]12)NCC1CC1 ZINC001203552858 1321910942 /nfs/dbraw/zinc/91/09/42/1321910942.db2.gz SXTPFJZHSCMCHR-ZHALLVOQSA-N 0 3 344.455 2.145 20 10 EECDHN O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]12)NCC1CC1 ZINC001203552858 1321910943 /nfs/dbraw/zinc/91/09/43/1321910943.db2.gz SXTPFJZHSCMCHR-ZHALLVOQSA-N 0 3 344.455 2.145 20 10 EECDHN COc1ccc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c([O-])c1 ZINC001203635364 1321929090 /nfs/dbraw/zinc/92/90/90/1321929090.db2.gz RDMVPBZIINMDCZ-UHFFFAOYSA-N 0 3 333.363 2.373 20 10 EECDHN COc1ccc(CN2CCC(Oc3ncc(F)cn3)CC2)c(O)c1 ZINC001203635364 1321929093 /nfs/dbraw/zinc/92/90/93/1321929093.db2.gz RDMVPBZIINMDCZ-UHFFFAOYSA-N 0 3 333.363 2.373 20 10 EECDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001204275483 1322101122 /nfs/dbraw/zinc/10/11/22/1322101122.db2.gz SIXLWYNCYLKBPX-UHFFFAOYSA-N 0 3 331.416 2.262 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)OC2CCOCC2)N(C)C)cc1 ZINC001335432367 1336374685 /nfs/dbraw/zinc/37/46/85/1336374685.db2.gz IECYEWNEHBOYNE-KRWDZBQOSA-N 0 3 335.448 2.261 20 10 EECDHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747528 1369659215 /nfs/dbraw/zinc/65/92/15/1369659215.db2.gz XEAPXBPKOIXYNG-CYBMUJFWSA-N 0 3 341.459 2.271 20 10 EECDHN COc1cccc(C[NH2+][C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1O ZINC001591640144 1403931718 /nfs/dbraw/zinc/93/17/18/1403931718.db2.gz ZTQNTPLFMKTHSQ-HNNXBMFYSA-N 0 3 337.383 2.358 20 10 EECDHN COc1cccc(CNC(=O)CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182338383 778761815 /nfs/dbraw/zinc/76/18/15/778761815.db2.gz YZSMHROVPJBAEQ-ZDUSSCGKSA-N 0 3 344.411 2.376 20 10 EECDHN COC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000893785718 780187092 /nfs/dbraw/zinc/18/70/92/780187092.db2.gz KGBCOSRWBMCTFG-ROUUACIJSA-N 0 3 348.491 2.080 20 10 EECDHN COC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000893785712 780187342 /nfs/dbraw/zinc/18/73/42/780187342.db2.gz KGBCOSRWBMCTFG-MSOLQXFVSA-N 0 3 348.491 2.080 20 10 EECDHN COc1ccnc(N2CCN(Cc3ccc(OC)cc3O)CC2)c1 ZINC000093079301 781639430 /nfs/dbraw/zinc/63/94/30/781639430.db2.gz IRDOASICCBJYTM-UHFFFAOYSA-N 0 3 329.400 2.127 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CCC2(CO)CC2)c1[O-] ZINC000825040310 788410992 /nfs/dbraw/zinc/41/09/92/788410992.db2.gz GAXUNFGIVMKJBV-UHFFFAOYSA-N 0 3 330.222 2.416 20 10 EECDHN CNC(=O)C[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000825068691 788428569 /nfs/dbraw/zinc/42/85/69/788428569.db2.gz VZCZDGMOXZQEAD-ZDUSSCGKSA-N 0 3 334.420 2.199 20 10 EECDHN COC[C@]1(CO)CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000825158725 788489476 /nfs/dbraw/zinc/48/94/76/788489476.db2.gz XGWWJSHZERWTCX-OAHLLOKOSA-N 0 3 344.249 2.294 20 10 EECDHN COC[C@]1(CO)CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000825158725 788489483 /nfs/dbraw/zinc/48/94/83/788489483.db2.gz XGWWJSHZERWTCX-OAHLLOKOSA-N 0 3 344.249 2.294 20 10 EECDHN COC[C@]1(CO)CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000825158725 788489489 /nfs/dbraw/zinc/48/94/89/788489489.db2.gz XGWWJSHZERWTCX-OAHLLOKOSA-N 0 3 344.249 2.294 20 10 EECDHN CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000323797322 788721484 /nfs/dbraw/zinc/72/14/84/788721484.db2.gz FOCALFLUTYYNMD-OAHLLOKOSA-N 0 3 338.473 2.173 20 10 EECDHN O=C1CCCN1CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846076216 790041763 /nfs/dbraw/zinc/04/17/63/790041763.db2.gz HBRRWNYTKZLPLW-UHFFFAOYSA-N 0 3 346.431 2.297 20 10 EECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000093017465 237043694 /nfs/dbraw/zinc/04/36/94/237043694.db2.gz NJFSZTPFOFFEEM-INIZCTEOSA-N 0 3 334.460 2.335 20 10 EECDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000093017465 237043697 /nfs/dbraw/zinc/04/36/97/237043697.db2.gz NJFSZTPFOFFEEM-INIZCTEOSA-N 0 3 334.460 2.335 20 10 EECDHN Cc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)c(C)n1-c1ccccc1 ZINC000116790534 237187189 /nfs/dbraw/zinc/18/71/89/237187189.db2.gz OMXTXESVOJLCBR-GOSISDBHSA-N 0 3 341.455 2.497 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+][C@@H](CO)Cc1c[nH]c3ccccc13)OCO2 ZINC000116350215 237188493 /nfs/dbraw/zinc/18/84/93/237188493.db2.gz ZNRNOBJCTNDETE-CQSZACIVSA-N 0 3 340.379 2.295 20 10 EECDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CN1C1CC1 ZINC000127755254 462580516 /nfs/dbraw/zinc/58/05/16/462580516.db2.gz BGDNEOWJTLDKAM-RHSMWYFYSA-N 0 3 342.487 2.493 20 10 EECDHN COc1ccc(N2CCN(CCCNCc3c[nH]nc3C)CC2)cc1 ZINC000120863557 463047790 /nfs/dbraw/zinc/04/77/90/463047790.db2.gz DONBFNXDERTGJV-UHFFFAOYSA-N 0 3 343.475 2.029 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC000160341978 463330870 /nfs/dbraw/zinc/33/08/70/463330870.db2.gz OCDSXALZKBFODW-CYBMUJFWSA-N 0 3 331.416 2.208 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC000160341978 463330872 /nfs/dbraw/zinc/33/08/72/463330872.db2.gz OCDSXALZKBFODW-CYBMUJFWSA-N 0 3 331.416 2.208 20 10 EECDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269234257 463921327 /nfs/dbraw/zinc/92/13/27/463921327.db2.gz FRQBZERPOPNIMZ-LJQANCHMSA-N 0 3 333.476 2.029 20 10 EECDHN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(C)ccc2[O-])cc1O ZINC000289429364 464078412 /nfs/dbraw/zinc/07/84/12/464078412.db2.gz KMDSLGLGRMBEEX-OAHLLOKOSA-N 0 3 331.412 2.356 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290390752 464117379 /nfs/dbraw/zinc/11/73/79/464117379.db2.gz IUXISTDMNJZZCC-GFCCVEGCSA-N 0 3 338.835 2.499 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290390752 464117380 /nfs/dbraw/zinc/11/73/80/464117380.db2.gz IUXISTDMNJZZCC-GFCCVEGCSA-N 0 3 338.835 2.499 20 10 EECDHN CN(C)c1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1F ZINC000269968611 464143288 /nfs/dbraw/zinc/14/32/88/464143288.db2.gz WXABKOSHRLLGHL-QFBILLFUSA-N 0 3 332.419 2.466 20 10 EECDHN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000179886383 464203302 /nfs/dbraw/zinc/20/33/02/464203302.db2.gz VHGBNXAHAGHRDL-ZDUSSCGKSA-N 0 3 334.441 2.493 20 10 EECDHN CCN1CCC(n2nccc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000236922870 464239140 /nfs/dbraw/zinc/23/91/40/464239140.db2.gz DVWMBMUJIBDVBO-UHFFFAOYSA-N 0 3 327.432 2.303 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](C)CC2(O)CCOCC2)c1[O-] ZINC000188841645 464381216 /nfs/dbraw/zinc/38/12/16/464381216.db2.gz WKGNLFDMQFJEHN-UHFFFAOYSA-N 0 3 344.249 2.436 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](C)CC2(O)CCOCC2)c1[O-] ZINC000188841645 464381218 /nfs/dbraw/zinc/38/12/18/464381218.db2.gz WKGNLFDMQFJEHN-UHFFFAOYSA-N 0 3 344.249 2.436 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000293559338 464412398 /nfs/dbraw/zinc/41/23/98/464412398.db2.gz FXRYRVNJPJPEFR-QGZVFWFLSA-N 0 3 335.404 2.227 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000293559338 464412403 /nfs/dbraw/zinc/41/24/03/464412403.db2.gz FXRYRVNJPJPEFR-QGZVFWFLSA-N 0 3 335.404 2.227 20 10 EECDHN COc1c([O-])c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293559338 464412406 /nfs/dbraw/zinc/41/24/06/464412406.db2.gz FXRYRVNJPJPEFR-QGZVFWFLSA-N 0 3 335.404 2.227 20 10 EECDHN COc1c([O-])c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293559338 464412413 /nfs/dbraw/zinc/41/24/13/464412413.db2.gz FXRYRVNJPJPEFR-QGZVFWFLSA-N 0 3 335.404 2.227 20 10 EECDHN Cc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c([O-])c1O ZINC000182539515 464678582 /nfs/dbraw/zinc/67/85/82/464678582.db2.gz AYQVPHQCZYBNMP-UHFFFAOYSA-N 0 3 348.443 2.123 20 10 EECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000273486973 464718730 /nfs/dbraw/zinc/71/87/30/464718730.db2.gz NNTDLKIQJFDRHZ-UONOGXRCSA-N 0 3 330.432 2.413 20 10 EECDHN CCCOc1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c(O)c1 ZINC000273731436 464724769 /nfs/dbraw/zinc/72/47/69/464724769.db2.gz KFBRAHUOHBSLGD-OAHLLOKOSA-N 0 3 333.432 2.217 20 10 EECDHN Cc1cccc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1[O-] ZINC000367693607 466497658 /nfs/dbraw/zinc/49/76/58/466497658.db2.gz AFIQBRUTIGHTFM-UHFFFAOYSA-N 0 3 345.443 2.435 20 10 EECDHN Cc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1[O-] ZINC000362043043 466509214 /nfs/dbraw/zinc/50/92/14/466509214.db2.gz VPZPABQOOQASCX-OAHLLOKOSA-N 0 3 325.412 2.168 20 10 EECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000377644912 467105122 /nfs/dbraw/zinc/10/51/22/467105122.db2.gz ICVONBWSTPJVFQ-OAHLLOKOSA-N 0 3 325.412 2.168 20 10 EECDHN O=S1(=O)CCN(c2ccc(CNCc3cccc(F)c3)cc2)CC1 ZINC000733330645 577223227 /nfs/dbraw/zinc/22/32/27/577223227.db2.gz GQQDRKWQHXIRED-UHFFFAOYSA-N 0 3 348.443 2.350 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(=O)Nc2ccccc2)c1 ZINC000775375477 577436111 /nfs/dbraw/zinc/43/61/11/577436111.db2.gz LVLCKMYXVXPUFJ-GFCCVEGCSA-N 0 3 343.383 2.400 20 10 EECDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000776869271 577469116 /nfs/dbraw/zinc/46/91/16/577469116.db2.gz WTBZYZUXNGWTSD-ATVPRXPUSA-N 0 3 339.407 2.490 20 10 EECDHN CC(C)(C)OC(=O)C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768451016 577556027 /nfs/dbraw/zinc/55/60/27/577556027.db2.gz LKDFVIVEDLRLQI-MRXNPFEDSA-N 0 3 349.427 2.372 20 10 EECDHN C[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCN1C ZINC000759586296 577646054 /nfs/dbraw/zinc/64/60/54/577646054.db2.gz YVUWOKRVKSMRLH-VXGBXAGGSA-N 0 3 328.507 2.407 20 10 EECDHN C[C@@](O)(CNCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000760452534 577663122 /nfs/dbraw/zinc/66/31/22/577663122.db2.gz YPMHECZEDBWHLH-CQSZACIVSA-N 0 3 336.329 2.065 20 10 EECDHN CN(C)CCOc1ccc(N(C)Cc2cc(C(N)=O)cs2)cc1 ZINC000761220779 577679538 /nfs/dbraw/zinc/67/95/38/577679538.db2.gz KWCFWYVPPJNSMO-UHFFFAOYSA-N 0 3 333.457 2.424 20 10 EECDHN Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1[O-] ZINC000756131016 577839052 /nfs/dbraw/zinc/83/90/52/577839052.db2.gz WITZJAGOZNTUHB-UHFFFAOYSA-N 0 3 340.489 2.383 20 10 EECDHN C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756550094 577846431 /nfs/dbraw/zinc/84/64/31/577846431.db2.gz QBDWIOQXDCALCR-ZDUSSCGKSA-N 0 3 327.419 2.349 20 10 EECDHN CCCN1CCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000749562654 577978085 /nfs/dbraw/zinc/97/80/85/577978085.db2.gz ZKZXNQMVASEUMU-GOSISDBHSA-N 0 3 331.460 2.218 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCOCC2)N(C)C)cc1 ZINC000891247515 676242084 /nfs/dbraw/zinc/24/20/84/676242084.db2.gz HZDVBDUDUSTLLQ-FUHWJXTLSA-N 0 3 333.476 2.288 20 10 EECDHN COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)sn1 ZINC000891249762 676244626 /nfs/dbraw/zinc/24/46/26/676244626.db2.gz SMMFLQCKHJURNC-AWEZNQCLSA-N 0 3 348.472 2.250 20 10 EECDHN CCc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cnn1C ZINC000891250533 676245437 /nfs/dbraw/zinc/24/54/37/676245437.db2.gz ATUPIMZNFPBQFV-GOSISDBHSA-N 0 3 343.475 2.081 20 10 EECDHN CCc1nnsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251588 676248100 /nfs/dbraw/zinc/24/81/00/676248100.db2.gz BXRNROBNRLGADD-OAHLLOKOSA-N 0 3 347.488 2.199 20 10 EECDHN C[C@H](OCC1CC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256498 676252253 /nfs/dbraw/zinc/25/22/53/676252253.db2.gz YUBGHMOSJBXHHV-KBXCAEBGSA-N 0 3 333.476 2.287 20 10 EECDHN COc1ccc(CN2CCS[C@@H]3COCC[C@H]32)c(O)c1OC ZINC000892209259 678256656 /nfs/dbraw/zinc/25/66/56/678256656.db2.gz AHFBNJSRNZHQQL-TZMCWYRMSA-N 0 3 325.430 2.116 20 10 EECDHN COc1ccc(N2CCC(N[C@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000102416430 679781581 /nfs/dbraw/zinc/78/15/81/679781581.db2.gz QXKRKOFUADEUPE-IBGZPJMESA-N 0 3 339.439 2.480 20 10 EECDHN CC[N@H+](CCC(=O)NC)Cc1cc(Br)cc(C)c1[O-] ZINC000897709383 691753242 /nfs/dbraw/zinc/75/32/42/691753242.db2.gz BTFNFEIPFYFVPO-UHFFFAOYSA-N 0 3 329.238 2.421 20 10 EECDHN CC[N@@H+](CCC(=O)NC)Cc1cc(Br)cc(C)c1[O-] ZINC000897709383 691753246 /nfs/dbraw/zinc/75/32/46/691753246.db2.gz BTFNFEIPFYFVPO-UHFFFAOYSA-N 0 3 329.238 2.421 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCOC(C)(C)C2)N(C)C)cc1 ZINC000899101307 693605885 /nfs/dbraw/zinc/60/58/85/693605885.db2.gz IOJVFUILXLRXKS-QGZVFWFLSA-N 0 3 348.491 2.176 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@]2(C)CCCOC2)N(C)C)cc1 ZINC000899104970 693607437 /nfs/dbraw/zinc/60/74/37/693607437.db2.gz UGSSSSSBBLKTMY-IEBWSBKVSA-N 0 3 348.491 2.224 20 10 EECDHN CCN(CC)c1ccc(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)cc1 ZINC001272916716 1193602552 /nfs/dbraw/zinc/60/25/52/1193602552.db2.gz KGKJBFMKGBPTQM-FQEVSTJZSA-N 0 3 345.487 2.214 20 10 EECDHN CCCCN1CC[C@@]2(CCN(Cc3cc(O)c(O)c(OC)c3)C2)C1=O ZINC001272988734 1194297882 /nfs/dbraw/zinc/29/78/82/1194297882.db2.gz WBLQGFWPUDTUFY-LJQANCHMSA-N 0 3 348.443 2.331 20 10 EECDHN CC(C)=CCN1C[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273283872 1197951606 /nfs/dbraw/zinc/95/16/06/1197951606.db2.gz AUKMEHXUUIDLJN-LJQANCHMSA-N 0 3 348.418 2.301 20 10 EECDHN CC(C)=CCN1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273283872 1197951609 /nfs/dbraw/zinc/95/16/09/1197951609.db2.gz AUKMEHXUUIDLJN-LJQANCHMSA-N 0 3 348.418 2.301 20 10 EECDHN CCCCN1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273286091 1197956195 /nfs/dbraw/zinc/95/61/95/1197956195.db2.gz YTMVNTQRVBHMTJ-SFHVURJKSA-N 0 3 336.407 2.135 20 10 EECDHN CCCCN1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273286091 1197956199 /nfs/dbraw/zinc/95/61/99/1197956199.db2.gz YTMVNTQRVBHMTJ-SFHVURJKSA-N 0 3 336.407 2.135 20 10 EECDHN CCCCN1C[C@@]2(CCN(Cc3cc(F)ccc3O)C2)OCC1=O ZINC001273286091 1197956202 /nfs/dbraw/zinc/95/62/02/1197956202.db2.gz YTMVNTQRVBHMTJ-SFHVURJKSA-N 0 3 336.407 2.135 20 10 EECDHN CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648100 1201193978 /nfs/dbraw/zinc/19/39/78/1201193978.db2.gz YJGLBXHOJCZAAN-KDOFPFPSSA-N 0 3 340.423 2.359 20 10 EECDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cc2n(n1)CCC2 ZINC000883291129 1202041802 /nfs/dbraw/zinc/04/18/02/1202041802.db2.gz SZBHXFOMNGEDCI-MRXNPFEDSA-N 0 3 339.487 2.432 20 10 EECDHN COc1cc(CN2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)cc(O)c1O ZINC001275962868 1205605383 /nfs/dbraw/zinc/60/53/83/1205605383.db2.gz LTMKQUKFDPTZOP-GOEBONIOSA-N 0 3 343.427 2.141 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)[C@H]3CCCCN3C2=O)N(C)C)cc1 ZINC000900185683 1234073602 /nfs/dbraw/zinc/07/36/02/1234073602.db2.gz QYERRTKFKWYFBT-IAGOWNOFSA-N 0 3 344.459 2.172 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCCC2)c1[O-] ZINC000903290728 1240185826 /nfs/dbraw/zinc/18/58/26/1240185826.db2.gz DBBCCUYVBFOCJO-GFCCVEGCSA-N 0 3 346.880 2.430 20 10 EECDHN C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000903290769 1240187180 /nfs/dbraw/zinc/18/71/80/1240187180.db2.gz FHHGSWXTOFITSH-AAEUAGOBSA-N 0 3 342.436 2.095 20 10 EECDHN C[C@@H]1C[C@H](NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c2ncnn21 ZINC000903449194 1240497799 /nfs/dbraw/zinc/49/77/99/1240497799.db2.gz WKUNGMBJYQFMDG-XOKHGSTOSA-N 0 3 328.464 2.242 20 10 EECDHN Oc1cccc2c1CN(Cc1ccnc(N3CCOCC3)c1)CC2 ZINC001137439152 1248419761 /nfs/dbraw/zinc/41/97/61/1248419761.db2.gz HZZSTJNHLPYEMW-UHFFFAOYSA-N 0 3 325.412 2.182 20 10 EECDHN CCN1CCCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000104137107 1284914314 /nfs/dbraw/zinc/91/43/14/1284914314.db2.gz WNDCKFMWYXLTFJ-LJQANCHMSA-N 0 3 345.487 2.356 20 10 EECDHN CC(C)(C)NC(=O)[C@@H]1COCCC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277440554 1303025782 /nfs/dbraw/zinc/02/57/82/1303025782.db2.gz BWNNJHPJQNUHPQ-HNNXBMFYSA-N 0 3 332.444 2.145 20 10 EECDHN CC(C)(C)NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441945 1303033660 /nfs/dbraw/zinc/03/36/60/1303033660.db2.gz RZKTVSCJDLJMBL-VYDXJSESSA-N 0 3 332.444 2.286 20 10 EECDHN CC(C)(C)NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441945 1303033673 /nfs/dbraw/zinc/03/36/73/1303033673.db2.gz RZKTVSCJDLJMBL-VYDXJSESSA-N 0 3 332.444 2.286 20 10 EECDHN Cc1cccc(CN2Cc3ccnn3C[C@@H](C(=O)NC(C)C)C2)c1O ZINC001231591395 1303858099 /nfs/dbraw/zinc/85/80/99/1303858099.db2.gz BRILCCYYWWXKPU-INIZCTEOSA-N 0 3 342.443 2.054 20 10 EECDHN COc1ccnc(N2CCN(Cc3c(C)cc(C)cc3O)CC2)n1 ZINC001231849104 1303929808 /nfs/dbraw/zinc/92/98/08/1303929808.db2.gz MSJQQZSFRPQQEF-UHFFFAOYSA-N 0 3 328.416 2.130 20 10 EECDHN COc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([O-])cc1Br ZINC001236757028 1305661529 /nfs/dbraw/zinc/66/15/29/1305661529.db2.gz QSHBVVSSEIHTDV-GXFFZTMASA-N 0 3 341.249 2.299 20 10 EECDHN COc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([O-])cc1Br ZINC001236757028 1305661532 /nfs/dbraw/zinc/66/15/32/1305661532.db2.gz QSHBVVSSEIHTDV-GXFFZTMASA-N 0 3 341.249 2.299 20 10 EECDHN O=C1COCCN1C1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236836938 1305695106 /nfs/dbraw/zinc/69/51/06/1305695106.db2.gz LTKYSKXHKXLEFF-UHFFFAOYSA-N 0 3 340.423 2.369 20 10 EECDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001237051568 1305778390 /nfs/dbraw/zinc/77/83/90/1305778390.db2.gz NFKNGSLCSOTPLU-IEBWSBKVSA-N 0 3 332.444 2.243 20 10 EECDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(C(C)C)cc1[O-])C2 ZINC001237051568 1305778394 /nfs/dbraw/zinc/77/83/94/1305778394.db2.gz NFKNGSLCSOTPLU-IEBWSBKVSA-N 0 3 332.444 2.243 20 10 EECDHN COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237048436 1305778871 /nfs/dbraw/zinc/77/88/71/1305778871.db2.gz GBGFNWVIPRILFQ-IYBDPMFKSA-N 0 3 349.427 2.300 20 10 EECDHN COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237048436 1305778879 /nfs/dbraw/zinc/77/88/79/1305778879.db2.gz GBGFNWVIPRILFQ-IYBDPMFKSA-N 0 3 349.427 2.300 20 10 EECDHN CC1(C)[C@@H]2CN(Cc3ccc(N4CCS(=O)(=O)CC4)cc3)C[C@@H]21 ZINC001237211397 1305850820 /nfs/dbraw/zinc/85/08/20/1305850820.db2.gz GKWWECQRRRWDOF-CALCHBBNSA-N 0 3 334.485 2.009 20 10 EECDHN CCN(CC)c1ccc(CN2CCC(OCC(N)=O)CC2)cc1F ZINC001116445943 1305885720 /nfs/dbraw/zinc/88/57/20/1305885720.db2.gz WGKOZQGJSUXOJC-UHFFFAOYSA-N 0 3 337.439 2.138 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001237640938 1306020020 /nfs/dbraw/zinc/02/00/20/1306020020.db2.gz IHTOGMQQINKULK-VQIMIIECSA-N 0 3 331.387 2.373 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001237640938 1306020033 /nfs/dbraw/zinc/02/00/33/1306020033.db2.gz IHTOGMQQINKULK-VQIMIIECSA-N 0 3 331.387 2.373 20 10 EECDHN Cc1cc(F)cc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1[O-] ZINC001238062608 1306206595 /nfs/dbraw/zinc/20/65/95/1306206595.db2.gz VEGHWBQCSJWIDY-GJZGRUSLSA-N 0 3 328.391 2.198 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278249000 1308911782 /nfs/dbraw/zinc/91/17/82/1308911782.db2.gz VQDIHEBSEXVRSV-DPIQGUFMSA-N 0 3 344.390 2.351 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278249000 1308911788 /nfs/dbraw/zinc/91/17/88/1308911788.db2.gz VQDIHEBSEXVRSV-DPIQGUFMSA-N 0 3 344.390 2.351 20 10 EECDHN COc1ccc(CN[C@H](C)C(=O)N2CCCC[C@H]2C)c(O)c1OC ZINC001120027920 1309288121 /nfs/dbraw/zinc/28/81/21/1309288121.db2.gz VDYOAMPNSCLEHT-CHWSQXEVSA-N 0 3 336.432 2.289 20 10 EECDHN CCN1CCN(c2ccc(CN3CCn4c(C)ncc4C3)cc2)CC1 ZINC001140302118 1314860034 /nfs/dbraw/zinc/86/00/34/1314860034.db2.gz KJCMVKHVGIBJKY-UHFFFAOYSA-N 0 3 339.487 2.349 20 10 EECDHN CCN1CCN(c2ccc(CN3CC(N4CC[C@H](F)C4)C3)cc2)CC1 ZINC001140303794 1314861769 /nfs/dbraw/zinc/86/17/69/1314861769.db2.gz ASKGPZYTPMYNFU-SFHVURJKSA-N 0 3 346.494 2.057 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC001249171766 1317016820 /nfs/dbraw/zinc/01/68/20/1317016820.db2.gz FLXVFDYWJKVGFS-HNNXBMFYSA-N 0 3 345.399 2.179 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](c3noc(C)n3)C2)c([O-])c1 ZINC001249171766 1317016828 /nfs/dbraw/zinc/01/68/28/1317016828.db2.gz FLXVFDYWJKVGFS-HNNXBMFYSA-N 0 3 345.399 2.179 20 10 EECDHN COc1cccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203599602 1321920462 /nfs/dbraw/zinc/92/04/62/1321920462.db2.gz JLJCKMNHLZVYOW-UONOGXRCSA-N 0 3 334.416 2.452 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203623088 1321925192 /nfs/dbraw/zinc/92/51/92/1321925192.db2.gz HXLBKGYZEHNKGH-RHSMWYFYSA-N 0 3 332.444 2.480 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203623088 1321925194 /nfs/dbraw/zinc/92/51/94/1321925194.db2.gz HXLBKGYZEHNKGH-RHSMWYFYSA-N 0 3 332.444 2.480 20 10 EECDHN COc1ccc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)c([O-])c1 ZINC001203634845 1321929155 /nfs/dbraw/zinc/92/91/55/1321929155.db2.gz XVMRYRMQEHCMCR-UHFFFAOYSA-N 0 3 341.411 2.190 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001204273496 1322100449 /nfs/dbraw/zinc/10/04/49/1322100449.db2.gz QFOVIMVBFYRQEQ-HKUYNNGSSA-N 0 3 342.395 2.305 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001204273496 1322100455 /nfs/dbraw/zinc/10/04/55/1322100455.db2.gz QFOVIMVBFYRQEQ-HKUYNNGSSA-N 0 3 342.395 2.305 20 10 EECDHN Cc1ncc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001262372799 1322289510 /nfs/dbraw/zinc/28/95/10/1322289510.db2.gz BTXWLACZEUUGBX-QGZVFWFLSA-N 0 3 345.447 2.151 20 10 EECDHN COc1ccc(N2CCN(CCNCc3ncccc3C)CC2)cc1 ZINC001325582042 1333916861 /nfs/dbraw/zinc/91/68/61/1333916861.db2.gz LRHWONLOYATURT-UHFFFAOYSA-N 0 3 340.471 2.310 20 10 EECDHN COc1ccc(O)c(C[NH2+][C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001609358425 1351945586 /nfs/dbraw/zinc/94/55/86/1351945586.db2.gz YIRDBUFVCLSGPS-MRXNPFEDSA-N 0 3 337.383 2.358 20 10 EECDHN CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963548 1349082978 /nfs/dbraw/zinc/08/29/78/1349082978.db2.gz LAZWDSKBKNBVPR-KGLIPLIRSA-N 0 3 344.463 2.343 20 10 EECDHN c1cc(-c2nnn[n-]2)cc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001607122932 1351427965 /nfs/dbraw/zinc/42/79/65/1351427965.db2.gz CYQWTLPKJWMZMR-QGZVFWFLSA-N 0 3 333.395 2.059 20 10 EECDHN c1cc(-c2nn[n-]n2)cc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001607122932 1351427968 /nfs/dbraw/zinc/42/79/68/1351427968.db2.gz CYQWTLPKJWMZMR-QGZVFWFLSA-N 0 3 333.395 2.059 20 10 EECDHN Cc1n[nH]c(C(=O)NCCC2=CCN(c3ccnc(C)n3)CC2)c1C ZINC001089822738 777075508 /nfs/dbraw/zinc/07/55/08/777075508.db2.gz OUSITDMSGNPEPV-UHFFFAOYSA-N 0 3 340.431 2.082 20 10 EECDHN COCCNC(=O)[C@H](CC(C)C)NCc1ccc2c(c1)CCCO2 ZINC000921933057 798191331 /nfs/dbraw/zinc/19/13/31/798191331.db2.gz KHQMDEBORGBVHU-KRWDZBQOSA-N 0 3 334.460 2.279 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CCN(CCCF)C[C@H]32)cc1 ZINC001084862113 798514018 /nfs/dbraw/zinc/51/40/18/798514018.db2.gz VIDDFQDHOIFPBW-UKRRQHHQSA-N 0 3 347.394 2.355 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1OC ZINC000191683441 237270026 /nfs/dbraw/zinc/27/00/26/237270026.db2.gz ZQAYKSVXGVTXGY-INIZCTEOSA-N 0 3 331.412 2.411 20 10 EECDHN CC[C@@H](N[C@@H](CC)CNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000296481619 465208068 /nfs/dbraw/zinc/20/80/68/465208068.db2.gz OFXGFZWSZNZWKO-GOEBONIOSA-N 0 3 327.494 2.121 20 10 EECDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CN1C1CC1 ZINC000127754854 462580732 /nfs/dbraw/zinc/58/07/32/462580732.db2.gz BGDNEOWJTLDKAM-PBHICJAKSA-N 0 3 342.487 2.493 20 10 EECDHN CCCOc1ccc(C[NH2+][C@H](C)CCN2CCN(C)CC2)c([O-])c1 ZINC000185866891 463894339 /nfs/dbraw/zinc/89/43/39/463894339.db2.gz HQFQPNMZBPUVBZ-MRXNPFEDSA-N 0 3 335.492 2.297 20 10 EECDHN CCOc1cccc(CN2CCN(C3CCOCC3)C[C@H]2C)c1O ZINC000278737934 463979312 /nfs/dbraw/zinc/97/93/12/463979312.db2.gz RPBBRZSVRJCYJB-OAHLLOKOSA-N 0 3 334.460 2.476 20 10 EECDHN COc1cccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000263709937 464161662 /nfs/dbraw/zinc/16/16/62/464161662.db2.gz UDKWPVXEHIOLAY-MRXNPFEDSA-N 0 3 326.396 2.292 20 10 EECDHN CC[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000280075652 464185564 /nfs/dbraw/zinc/18/55/64/464185564.db2.gz LJNHMXBIKMWHQC-UKRRQHHQSA-N 0 3 326.462 2.165 20 10 EECDHN CN(C)c1ccc(CN2CCC[C@@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000280519278 464217207 /nfs/dbraw/zinc/21/72/07/464217207.db2.gz IUEOTBNWDMXBGW-GFCCVEGCSA-N 0 3 329.366 2.469 20 10 EECDHN C[C@@H](CO)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC1CCC1 ZINC000280615396 464220770 /nfs/dbraw/zinc/22/07/70/464220770.db2.gz WDVUZVSNIXXYTD-INIZCTEOSA-N 0 3 347.503 2.194 20 10 EECDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000271096880 464279667 /nfs/dbraw/zinc/27/96/67/464279667.db2.gz MZYTYUIJKIMKQO-ZDUSSCGKSA-N 0 3 335.400 2.185 20 10 EECDHN COC(=O)[C@@H]1CC12CCN(Cc1cc(OC)c(OC)cc1O)CC2 ZINC000271096880 464279674 /nfs/dbraw/zinc/27/96/74/464279674.db2.gz MZYTYUIJKIMKQO-ZDUSSCGKSA-N 0 3 335.400 2.185 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000271245645 464291280 /nfs/dbraw/zinc/29/12/80/464291280.db2.gz BZCTUKAABCJPTQ-KBXCAEBGSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000271245645 464291286 /nfs/dbraw/zinc/29/12/86/464291286.db2.gz BZCTUKAABCJPTQ-KBXCAEBGSA-N 0 3 345.443 2.470 20 10 EECDHN COCCCNC(=O)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293457018 464405794 /nfs/dbraw/zinc/40/57/94/464405794.db2.gz KZPKGIHJUSDGOJ-UHFFFAOYSA-N 0 3 347.503 2.426 20 10 EECDHN O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000174853523 464458051 /nfs/dbraw/zinc/45/80/51/464458051.db2.gz VMLPUCFZUFYRLR-INIZCTEOSA-N 0 3 346.387 2.178 20 10 EECDHN O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000174853523 464458058 /nfs/dbraw/zinc/45/80/58/464458058.db2.gz VMLPUCFZUFYRLR-INIZCTEOSA-N 0 3 346.387 2.178 20 10 EECDHN Oc1cc2c(cc1CN1CCC[C@](O)(C(F)(F)F)CC1)OCO2 ZINC000285181830 464479142 /nfs/dbraw/zinc/47/91/42/464479142.db2.gz RDXOVWVRTZEROQ-CQSZACIVSA-N 0 3 333.306 2.400 20 10 EECDHN Cc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1[O-] ZINC000182215053 464601134 /nfs/dbraw/zinc/60/11/34/464601134.db2.gz YJLFCOGYGGJWCK-UHFFFAOYSA-N 0 3 348.415 2.055 20 10 EECDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000273558593 464719590 /nfs/dbraw/zinc/71/95/90/464719590.db2.gz HODSJEMVRVDQGZ-NSHDSACASA-N 0 3 343.265 2.262 20 10 EECDHN COc1ccc(O)c(CNCCS(=O)(=O)CCc2ccccc2)c1 ZINC000282720104 464921395 /nfs/dbraw/zinc/92/13/95/464921395.db2.gz LMAYSEFAPYCAKS-UHFFFAOYSA-N 0 3 349.452 2.148 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000363847041 466636645 /nfs/dbraw/zinc/63/66/45/466636645.db2.gz DCBMRFGEUQQYAL-ZJNRKIDTSA-N 0 3 331.416 2.072 20 10 EECDHN OC[C@]1(NCc2ccc3c(c2)CCN3Cc2ccccc2)CCOC1 ZINC000368506432 466653168 /nfs/dbraw/zinc/65/31/68/466653168.db2.gz DCMAQUJIMPZXEL-OAQYLSRUSA-N 0 3 338.451 2.490 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1C1CCC1)cc2=O ZINC000102927639 528318130 /nfs/dbraw/zinc/31/81/30/528318130.db2.gz RBDPZWOFQXUEJB-OAHLLOKOSA-N 0 3 344.415 2.376 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192081221 528764635 /nfs/dbraw/zinc/76/46/35/528764635.db2.gz FVHUBJLOHYHQME-UWVGGRQHSA-N 0 3 329.238 2.487 20 10 EECDHN COCCN1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773372897 577337342 /nfs/dbraw/zinc/33/73/42/577337342.db2.gz XDEGXCRRYOHEDY-HNNXBMFYSA-N 0 3 348.491 2.224 20 10 EECDHN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000776001045 577450444 /nfs/dbraw/zinc/45/04/44/577450444.db2.gz OJNNLPYAFPGMQU-QFBILLFUSA-N 0 3 345.487 2.212 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000777722873 577485382 /nfs/dbraw/zinc/48/53/82/577485382.db2.gz WQSQZYUZICXUTJ-OBJOEFQTSA-N 0 3 327.446 2.407 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000769107016 577569816 /nfs/dbraw/zinc/56/98/16/577569816.db2.gz JBYLWGZMPKNGPD-HRCADAONSA-N 0 3 334.460 2.474 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000769107016 577569817 /nfs/dbraw/zinc/56/98/17/577569817.db2.gz JBYLWGZMPKNGPD-HRCADAONSA-N 0 3 334.460 2.474 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c([O-])c1 ZINC000769525576 577579727 /nfs/dbraw/zinc/57/97/27/577579727.db2.gz IPWUDOVPQRTNOM-QFBILLFUSA-N 0 3 347.503 2.249 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c([O-])c1 ZINC000769525576 577579728 /nfs/dbraw/zinc/57/97/28/577579728.db2.gz IPWUDOVPQRTNOM-QFBILLFUSA-N 0 3 347.503 2.249 20 10 EECDHN C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756484399 577844866 /nfs/dbraw/zinc/84/48/66/577844866.db2.gz WPSQXTOVJGAELW-JQWIXIFHSA-N 0 3 344.452 2.387 20 10 EECDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000745948616 577920680 /nfs/dbraw/zinc/92/06/80/577920680.db2.gz MSYLHMAPDALMRG-DLBZAZTESA-N 0 3 345.487 2.464 20 10 EECDHN C[S@](=O)CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735085316 578133055 /nfs/dbraw/zinc/13/30/55/578133055.db2.gz RAVQAQBIAWFXDP-QHCPKHFHSA-N 0 3 339.461 2.443 20 10 EECDHN Cn1cc(N2CCN(Cc3cc4c(cc3O)CCCC4)CC2)cn1 ZINC000160337734 676037056 /nfs/dbraw/zinc/03/70/56/676037056.db2.gz ZHSCSZNDYDAJRJ-UHFFFAOYSA-N 0 3 326.444 2.327 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2nnc(C3CC3)o2)N(C)C)cc1 ZINC000891246188 676239737 /nfs/dbraw/zinc/23/97/37/676239737.db2.gz NDDJUWSQGXNFLI-OAHLLOKOSA-N 0 3 343.431 2.046 20 10 EECDHN CCn1nccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249598 676244363 /nfs/dbraw/zinc/24/43/63/676244363.db2.gz UYCZPKNZZZQEGL-KRWDZBQOSA-N 0 3 329.448 2.002 20 10 EECDHN COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891251619 676248073 /nfs/dbraw/zinc/24/80/73/676248073.db2.gz HFBXCXKRFATROK-QGZVFWFLSA-N 0 3 342.443 2.189 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)nc2)N(C)C)cc1 ZINC000891252443 676248517 /nfs/dbraw/zinc/24/85/17/676248517.db2.gz LRCFRMZIBXXYIX-MRXNPFEDSA-N 0 3 330.407 2.319 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(O)cc2)N(C)C)cc1 ZINC000891254655 676250428 /nfs/dbraw/zinc/25/04/28/676250428.db2.gz ZXRGQDAWGCYLHH-LJQANCHMSA-N 0 3 341.455 2.420 20 10 EECDHN CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000177439250 681292306 /nfs/dbraw/zinc/29/23/06/681292306.db2.gz PCBFPHRXDPJPEH-MAUKXSAKSA-N 0 3 331.460 2.183 20 10 EECDHN COc1ccc(CN(C)CCNC(=O)OC(C)(C)C)c(O)c1OC ZINC000894815344 683109139 /nfs/dbraw/zinc/10/91/39/683109139.db2.gz LFYKSKHKZWRKMW-UHFFFAOYSA-N 0 3 340.420 2.366 20 10 EECDHN CO[C@@H](C)[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894977899 683447727 /nfs/dbraw/zinc/44/77/27/683447727.db2.gz WAFGBWATFRKSFE-KEYYUXOJSA-N 0 3 336.480 2.078 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c([O-])c1 ZINC001272626225 1190938303 /nfs/dbraw/zinc/93/83/03/1190938303.db2.gz UVOVRTWPICWUTJ-ZIAGYGMSSA-N 0 3 340.370 2.231 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c([O-])c1 ZINC001272626225 1190938306 /nfs/dbraw/zinc/93/83/06/1190938306.db2.gz UVOVRTWPICWUTJ-ZIAGYGMSSA-N 0 3 340.370 2.231 20 10 EECDHN COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c(O)c1 ZINC001272626225 1190938308 /nfs/dbraw/zinc/93/83/08/1190938308.db2.gz UVOVRTWPICWUTJ-ZIAGYGMSSA-N 0 3 340.370 2.231 20 10 EECDHN CC(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001272982508 1194290910 /nfs/dbraw/zinc/29/09/10/1194290910.db2.gz JHPKLVJGNZBZSE-MRXNPFEDSA-N 0 3 332.444 2.472 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273283869 1197951217 /nfs/dbraw/zinc/95/12/17/1197951217.db2.gz ASRKPSZGBKTNTC-GOSISDBHSA-N 0 3 345.374 2.144 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273283869 1197951220 /nfs/dbraw/zinc/95/12/20/1197951220.db2.gz ASRKPSZGBKTNTC-GOSISDBHSA-N 0 3 345.374 2.144 20 10 EECDHN O=C1N(C2COC2)CC[C@]12CCC[N@@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285613 1197956523 /nfs/dbraw/zinc/95/65/23/1197956523.db2.gz UBOAKBPKEVHUFE-LJQANCHMSA-N 0 3 348.418 2.135 20 10 EECDHN O=C1N(C2COC2)CC[C@]12CCC[N@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285613 1197956528 /nfs/dbraw/zinc/95/65/28/1197956528.db2.gz UBOAKBPKEVHUFE-LJQANCHMSA-N 0 3 348.418 2.135 20 10 EECDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000879650227 1201193243 /nfs/dbraw/zinc/19/32/43/1201193243.db2.gz QLOUYHRWQXSFPC-ACJLOTCBSA-N 0 3 336.432 2.415 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879647615 1201193620 /nfs/dbraw/zinc/19/36/20/1201193620.db2.gz GFHVRRWQLUKPCW-GUTXKFCHSA-N 0 3 333.432 2.447 20 10 EECDHN Fc1cc(CN[C@@H]2CCCC23OCCO3)ccc1N1CCOCC1 ZINC000883179027 1202026362 /nfs/dbraw/zinc/02/63/62/1202026362.db2.gz LMRYBASXQHRWST-QGZVFWFLSA-N 0 3 336.407 2.048 20 10 EECDHN COc1cccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c1O ZINC001275273382 1205296063 /nfs/dbraw/zinc/29/60/63/1205296063.db2.gz MXZKLZHRNYAJST-CALCHBBNSA-N 0 3 332.444 2.228 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1[O-] ZINC000827634595 1248516246 /nfs/dbraw/zinc/51/62/46/1248516246.db2.gz UYUMHPQPURHDNP-LBPRGKRZSA-N 0 3 338.835 2.499 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c1[O-] ZINC000827634595 1248516257 /nfs/dbraw/zinc/51/62/57/1248516257.db2.gz UYUMHPQPURHDNP-LBPRGKRZSA-N 0 3 338.835 2.499 20 10 EECDHN CCOC(=O)[C@H]1CNCCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001211354226 1295837261 /nfs/dbraw/zinc/83/72/61/1295837261.db2.gz LOLUVHOKNGMNHN-LJQANCHMSA-N 0 3 341.455 2.431 20 10 EECDHN CN(C)[C@@H](CNC(=O)CN(C)c1ccc(N)cc1)c1ccccc1 ZINC000863558667 1296336930 /nfs/dbraw/zinc/33/69/30/1296336930.db2.gz SBJFIVSEXIBZKR-SFHVURJKSA-N 0 3 326.444 2.124 20 10 EECDHN COc1cc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)on1 ZINC000926853989 1296941770 /nfs/dbraw/zinc/94/17/70/1296941770.db2.gz KMXRORBJVKMKSY-AWEZNQCLSA-N 0 3 330.432 2.286 20 10 EECDHN O=C(N1CCCC12CC2)[C@]12C[C@H]1CCN2Cc1ccc(O)cc1O ZINC001277190596 1301738760 /nfs/dbraw/zinc/73/87/60/1301738760.db2.gz MBZFWGXRFBDXMV-KUHUBIRLSA-N 0 3 328.412 2.217 20 10 EECDHN O=C(NCC1COC1)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441780 1303030748 /nfs/dbraw/zinc/03/07/48/1303030748.db2.gz OXZYPEOQYVILKP-YLJYHZDGSA-N 0 3 344.455 2.147 20 10 EECDHN O=C(NCC1COC1)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441780 1303030756 /nfs/dbraw/zinc/03/07/56/1303030756.db2.gz OXZYPEOQYVILKP-YLJYHZDGSA-N 0 3 344.455 2.147 20 10 EECDHN O=C(N1CC(F)(C2CC2)C1)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277446058 1303070146 /nfs/dbraw/zinc/07/01/46/1303070146.db2.gz LQAXTCJQOJDOJP-UHFFFAOYSA-N 0 3 330.403 2.365 20 10 EECDHN CCc1nc(C2CCN(Cc3cc(OC)c(O)cc3O)CC2)no1 ZINC001231637367 1303874031 /nfs/dbraw/zinc/87/40/31/1303874031.db2.gz KSPWKLOEMIGUDK-UHFFFAOYSA-N 0 3 333.388 2.431 20 10 EECDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)c(O)c1 ZINC001277567372 1303920482 /nfs/dbraw/zinc/92/04/82/1303920482.db2.gz GGKMZRJFDVLVTL-HLLBOEOZSA-N 0 3 344.455 2.158 20 10 EECDHN Cc1ccc(C[NH2+]C23CC(C(=O)N[C@H](C)c4ncc[nH]4)(C2)C3)c([O-])c1 ZINC001277569080 1303923392 /nfs/dbraw/zinc/92/33/92/1303923392.db2.gz VAGWCUBCSKLTDR-XYJCDUHRSA-N 0 3 340.427 2.313 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c(OC)c1 ZINC001277587980 1303948059 /nfs/dbraw/zinc/94/80/59/1303948059.db2.gz ARGHDOCJSYKMMM-CWTRNNRKSA-N 0 3 348.443 2.146 20 10 EECDHN COc1cc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c(OC)c1 ZINC001277587980 1303948060 /nfs/dbraw/zinc/94/80/60/1303948060.db2.gz ARGHDOCJSYKMMM-CWTRNNRKSA-N 0 3 348.443 2.146 20 10 EECDHN CCO[C@@H]1C[C@H]2CN(Cc3cc(Cl)c([O-])cc3O)CC[N@@H+]2C1 ZINC001232259662 1304056678 /nfs/dbraw/zinc/05/66/78/1304056678.db2.gz HOSPQXXXLGTLHN-QWHCGFSZSA-N 0 3 326.824 2.046 20 10 EECDHN CCO[C@@H]1C[C@H]2CN(Cc3cc(Cl)c([O-])cc3O)CC[N@H+]2C1 ZINC001232259662 1304056688 /nfs/dbraw/zinc/05/66/88/1304056688.db2.gz HOSPQXXXLGTLHN-QWHCGFSZSA-N 0 3 326.824 2.046 20 10 EECDHN CN(C)C1=NOC2(C1)CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232259491 1304056761 /nfs/dbraw/zinc/05/67/61/1304056761.db2.gz DAWRMJQPGSNULR-UHFFFAOYSA-N 0 3 339.823 2.381 20 10 EECDHN O=C(NC1CCC1)[C@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233484410 1304477313 /nfs/dbraw/zinc/47/73/13/1304477313.db2.gz JZEBLBQJKMWORH-CQSZACIVSA-N 0 3 346.427 2.074 20 10 EECDHN Cc1cccc(O)c1CN1Cc2ccnn2C[C@@H](C(=O)NC(C)C)C1 ZINC001237486277 1305954506 /nfs/dbraw/zinc/95/45/06/1305954506.db2.gz PTLIIOMFVMPVDN-HNNXBMFYSA-N 0 3 342.443 2.054 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC(C)(C)C[C@@H]1C)cc2=O ZINC000839657923 1315227270 /nfs/dbraw/zinc/22/72/70/1315227270.db2.gz IHYIEBGWBJSUCW-NSHDSACASA-N 0 3 332.404 2.232 20 10 EECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@]1(O)CCc2ccccc21 ZINC000842624119 1315736519 /nfs/dbraw/zinc/73/65/19/1315736519.db2.gz NBVMEQRJDLGOED-UYAOXDASSA-N 0 3 341.407 2.084 20 10 EECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@]1(O)CCc2ccccc21 ZINC000842624119 1315736522 /nfs/dbraw/zinc/73/65/22/1315736522.db2.gz NBVMEQRJDLGOED-UYAOXDASSA-N 0 3 341.407 2.084 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001249201011 1317022013 /nfs/dbraw/zinc/02/20/13/1317022013.db2.gz ASSAMOSHOOVVAE-HNNXBMFYSA-N 0 3 349.427 2.271 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001249201011 1317022021 /nfs/dbraw/zinc/02/20/21/1317022021.db2.gz ASSAMOSHOOVVAE-HNNXBMFYSA-N 0 3 349.427 2.271 20 10 EECDHN CCCC[C@H](O)CN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001252099047 1317554778 /nfs/dbraw/zinc/55/47/78/1317554778.db2.gz XYSAISXFTCVRHO-SFHVURJKSA-N 0 3 336.476 2.385 20 10 EECDHN Oc1ccc(CN2CCC3(CC(N4CCCC4)=NO3)CC2)cc1O ZINC001203878318 1321981107 /nfs/dbraw/zinc/98/11/07/1321981107.db2.gz DFXGJTGOFPTDGB-UHFFFAOYSA-N 0 3 331.416 2.262 20 10 EECDHN Cc1noc(C[C@@H]2C[C@H]3CN(Cc4ccc(N(C)C)cc4)C[C@H]3O2)n1 ZINC001203932120 1321992871 /nfs/dbraw/zinc/99/28/71/1321992871.db2.gz SLFWZXGXPYFYJJ-RYQLBKOJSA-N 0 3 342.443 2.276 20 10 EECDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324159133 1333620846 /nfs/dbraw/zinc/62/08/46/1333620846.db2.gz MWDFTMCCJXMHHF-JKSUJKDBSA-N 0 3 334.483 2.102 20 10 EECDHN Cc1n[nH]c(C)c1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001331700734 1335060361 /nfs/dbraw/zinc/06/03/61/1335060361.db2.gz CFWCINHWYYMMNK-UHFFFAOYSA-N 0 3 341.459 2.018 20 10 EECDHN Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC001341279916 1337288579 /nfs/dbraw/zinc/28/85/79/1337288579.db2.gz JKGWDEUPBFUBBT-GFCCVEGCSA-N 0 3 333.461 2.314 20 10 EECDHN Nc1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC001356083724 1338790943 /nfs/dbraw/zinc/79/09/43/1338790943.db2.gz ZCNMXMFPMWTQKT-UHFFFAOYSA-N 0 3 331.382 2.355 20 10 EECDHN CC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604055646 1350842064 /nfs/dbraw/zinc/84/20/64/1350842064.db2.gz REGVYQXLSRGQKC-ZENOOKHLSA-N 0 3 344.463 2.486 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604055638 1350842198 /nfs/dbraw/zinc/84/21/98/1350842198.db2.gz REGVYQXLSRGQKC-IOASZLSFSA-N 0 3 344.463 2.486 20 10 EECDHN C[C@H](CO)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852421735 1369269593 /nfs/dbraw/zinc/26/95/93/1369269593.db2.gz HQYXTQSKAWNCRM-APWZRJJASA-N 0 3 347.503 2.194 20 10 EECDHN C[C@@H](CO)[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852421737 1369270055 /nfs/dbraw/zinc/27/00/55/1369270055.db2.gz HQYXTQSKAWNCRM-QFBILLFUSA-N 0 3 347.503 2.194 20 10 EECDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000400902782 1409773212 /nfs/dbraw/zinc/77/32/12/1409773212.db2.gz LVVCUHCLAQPSEU-BBRMVZONSA-N 0 3 337.439 2.042 20 10 EECDHN COc1cc([O-])c(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc1Br ZINC001236424545 774348113 /nfs/dbraw/zinc/34/81/13/774348113.db2.gz MQXDMSMJKOFYMM-UWVGGRQHSA-N 0 3 329.238 2.346 20 10 EECDHN CN(C)C1(C(=O)NCCC2=CCN(c3cccc(F)n3)CC2)CCC1 ZINC001089844649 777845702 /nfs/dbraw/zinc/84/57/02/777845702.db2.gz HTEJWCISMSHTHF-UHFFFAOYSA-N 0 3 346.450 2.348 20 10 EECDHN COC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000893785720 780187718 /nfs/dbraw/zinc/18/77/18/780187718.db2.gz KGBCOSRWBMCTFG-ZWKOTPCHSA-N 0 3 348.491 2.080 20 10 EECDHN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000893940880 780322900 /nfs/dbraw/zinc/32/29/00/780322900.db2.gz SMRPSXBSAFUJPU-UHFFFAOYSA-N 0 3 326.387 2.215 20 10 EECDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)c(C(F)(F)F)c1 ZINC000822520918 787232565 /nfs/dbraw/zinc/23/25/65/787232565.db2.gz RQMJAVXJPUULMT-CYBMUJFWSA-N 0 3 343.349 2.008 20 10 EECDHN CC(C)OCc1ncn2c1CN(Cc1c(O)cc(O)cc1O)CCC2 ZINC001144508700 789891267 /nfs/dbraw/zinc/89/12/67/789891267.db2.gz VQEOBEMCSQCXNU-UHFFFAOYSA-N 0 3 347.415 2.331 20 10 EECDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000785539399 806511994 /nfs/dbraw/zinc/51/19/94/806511994.db2.gz AMTBKCAKKPSCSP-GJYPPUQNSA-N 0 3 347.503 2.192 20 10 EECDHN CC(C)(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCCC1 ZINC000793395100 810316129 /nfs/dbraw/zinc/31/61/29/810316129.db2.gz GQZGACUDUPVOOF-UHFFFAOYSA-N 0 3 349.450 2.153 20 10 EECDHN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccccc2[O-])cc1OC ZINC000873192145 1126120188 /nfs/dbraw/zinc/12/01/88/1126120188.db2.gz ZNZHBAZHJOYZNL-IBGZPJMESA-N 0 3 331.412 2.493 20 10 EECDHN C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CC1 ZINC000192986488 530054064 /nfs/dbraw/zinc/05/40/64/530054064.db2.gz AHOUYDRTHASLAE-UHFFFAOYSA-N 0 3 341.411 2.492 20 10 EECDHN C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CC1 ZINC000192986488 530054065 /nfs/dbraw/zinc/05/40/65/530054065.db2.gz AHOUYDRTHASLAE-UHFFFAOYSA-N 0 3 341.411 2.492 20 10 EECDHN CCOc1cccc(CN2CCC(N3CCCNC3=O)CC2)c1O ZINC000093669099 237049112 /nfs/dbraw/zinc/04/91/12/237049112.db2.gz GLPDZTCIHZFHRM-UHFFFAOYSA-N 0 3 333.432 2.171 20 10 EECDHN C[C@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CN1C1CC1 ZINC000127755051 462580368 /nfs/dbraw/zinc/58/03/68/462580368.db2.gz BGDNEOWJTLDKAM-YOEHRIQHSA-N 0 3 342.487 2.493 20 10 EECDHN CCN1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000152970833 462600566 /nfs/dbraw/zinc/60/05/66/462600566.db2.gz SNQLSSJLFPAPIU-UHFFFAOYSA-N 0 3 328.460 2.346 20 10 EECDHN CCOc1cccc(CN2CCC([C@H](O)c3nccn3C)CC2)c1O ZINC000093454659 463037984 /nfs/dbraw/zinc/03/79/84/463037984.db2.gz UPOIFPXUEKHOAO-SFHVURJKSA-N 0 3 345.443 2.470 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c([O-])c1 ZINC000185161428 463765343 /nfs/dbraw/zinc/76/53/43/463765343.db2.gz DRXAAWUUMRBMLS-HNNXBMFYSA-N 0 3 348.468 2.471 20 10 EECDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000269021779 463849246 /nfs/dbraw/zinc/84/92/46/463849246.db2.gz PSVUCFYERLXLOR-GOEBONIOSA-N 0 3 339.505 2.217 20 10 EECDHN COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccccc2[O-])cc1OC ZINC000289880598 464098501 /nfs/dbraw/zinc/09/85/01/464098501.db2.gz RVFMGGSVGLNVLD-LJQANCHMSA-N 0 3 331.412 2.493 20 10 EECDHN CNS(=O)(=O)CCN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000187184089 464103820 /nfs/dbraw/zinc/10/38/20/464103820.db2.gz CXKNCCIAIGPBOJ-OAHLLOKOSA-N 0 3 339.505 2.267 20 10 EECDHN CSC[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000292357754 464206411 /nfs/dbraw/zinc/20/64/11/464206411.db2.gz HYSQTLKZCLLNRQ-INIZCTEOSA-N 0 3 335.517 2.444 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@]3(C)CCCCN3)CC2)cc1F ZINC000181013121 464433153 /nfs/dbraw/zinc/43/31/53/464433153.db2.gz HXUVJFOCZKZSPU-SFHVURJKSA-N 0 3 335.423 2.015 20 10 EECDHN COc1ccc(O)c(CNCC(=O)N2CCCc3ccccc32)c1 ZINC000181033789 464436196 /nfs/dbraw/zinc/43/61/96/464436196.db2.gz ZDSPGIGQOWTZOK-UHFFFAOYSA-N 0 3 326.396 2.470 20 10 EECDHN CN1CC=C(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000272108156 464480360 /nfs/dbraw/zinc/48/03/60/464480360.db2.gz PXYDKQDVJUQAEN-UHFFFAOYSA-N 0 3 328.460 2.130 20 10 EECDHN CCC[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272273445 464546751 /nfs/dbraw/zinc/54/67/51/464546751.db2.gz BXPYJZCYYDGNSZ-DVOMOZLQSA-N 0 3 337.439 2.183 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285638766 464638586 /nfs/dbraw/zinc/63/85/86/464638586.db2.gz KTOUYSNLDAUENL-UONOGXRCSA-N 0 3 338.473 2.308 20 10 EECDHN CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275119852 464764655 /nfs/dbraw/zinc/76/46/55/464764655.db2.gz GPXXRJBHNVFMED-LBPRGKRZSA-N 0 3 346.349 2.291 20 10 EECDHN CCOc1cccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275119852 464764662 /nfs/dbraw/zinc/76/46/62/464764662.db2.gz GPXXRJBHNVFMED-LBPRGKRZSA-N 0 3 346.349 2.291 20 10 EECDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000183349534 464853452 /nfs/dbraw/zinc/85/34/52/464853452.db2.gz PKFPERRPXGPJHA-HUUCEWRRSA-N 0 3 328.416 2.362 20 10 EECDHN COc1ncc(/C=C/C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cn1 ZINC000363688014 466559234 /nfs/dbraw/zinc/55/92/34/466559234.db2.gz QAGOOFHUOYCQHY-ROJDOSBLSA-N 0 3 338.411 2.018 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378377133 467284648 /nfs/dbraw/zinc/28/46/48/467284648.db2.gz MCUDVNDTZXCEIF-CVEARBPZSA-N 0 3 331.416 2.222 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378377133 467284652 /nfs/dbraw/zinc/28/46/52/467284652.db2.gz MCUDVNDTZXCEIF-CVEARBPZSA-N 0 3 331.416 2.222 20 10 EECDHN CC[C@H]1[C@@H](C)CCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000775783788 577445538 /nfs/dbraw/zinc/44/55/38/577445538.db2.gz VITLWMIVDVDYGX-LPHOPBHVSA-N 0 3 345.487 2.464 20 10 EECDHN Cc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1[O-] ZINC000775847553 577447203 /nfs/dbraw/zinc/44/72/03/577447203.db2.gz HWRQAQDUHAESTG-UHFFFAOYSA-N 0 3 340.423 2.463 20 10 EECDHN Cc1cccc(CNCc2ccc(C(=O)N3CCOCC3)cc2)c1O ZINC000775847553 577447204 /nfs/dbraw/zinc/44/72/04/577447204.db2.gz HWRQAQDUHAESTG-UHFFFAOYSA-N 0 3 340.423 2.463 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000776213576 577454712 /nfs/dbraw/zinc/45/47/12/577454712.db2.gz VAIMAXUECMGNKX-GFCCVEGCSA-N 0 3 348.262 2.130 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C)[C@@H](C)C3)CC2)cc1 ZINC000766987488 577528496 /nfs/dbraw/zinc/52/84/96/577528496.db2.gz ANUPPUKQORLQGD-SJORKVTESA-N 0 3 345.487 2.322 20 10 EECDHN COc1ccc(OCC[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768442997 577555759 /nfs/dbraw/zinc/55/57/59/577555759.db2.gz VOUMAYWSZSAVRV-GOSISDBHSA-N 0 3 345.395 2.337 20 10 EECDHN COc1ccc(OCC[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768442997 577555760 /nfs/dbraw/zinc/55/57/60/577555760.db2.gz VOUMAYWSZSAVRV-GOSISDBHSA-N 0 3 345.395 2.337 20 10 EECDHN CCOc1ccc(C[N@H+](CCC(=O)OC)C[C@@H]2CCCO2)c([O-])c1 ZINC000769445077 577578112 /nfs/dbraw/zinc/57/81/12/577578112.db2.gz BNMYFCLEIJNBNO-INIZCTEOSA-N 0 3 337.416 2.335 20 10 EECDHN CCOc1ccc(C[N@@H+](CCC(=O)OC)C[C@@H]2CCCO2)c([O-])c1 ZINC000769445077 577578113 /nfs/dbraw/zinc/57/81/13/577578113.db2.gz BNMYFCLEIJNBNO-INIZCTEOSA-N 0 3 337.416 2.335 20 10 EECDHN CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(C)c(C)cc2[O-])CC1 ZINC000758058454 577615337 /nfs/dbraw/zinc/61/53/37/577615337.db2.gz UTLXCTSASWDBBL-UHFFFAOYSA-N 0 3 340.489 2.160 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3[C@H](C)CC[C@H]3C)CC2)cc1F ZINC000753741265 577792630 /nfs/dbraw/zinc/79/26/30/577792630.db2.gz FQMBIXRBGQMUGV-HUUCEWRRSA-N 0 3 349.450 2.356 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c([O-])c1 ZINC000756484638 577844873 /nfs/dbraw/zinc/84/48/73/577844873.db2.gz ZUXRYMQOSOXWPT-CQSZACIVSA-N 0 3 334.441 2.330 20 10 EECDHN CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000757702832 577862778 /nfs/dbraw/zinc/86/27/78/577862778.db2.gz DPNDEJVYBBPKPZ-CYBMUJFWSA-N 0 3 326.462 2.105 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000893054444 683652246 /nfs/dbraw/zinc/65/22/46/683652246.db2.gz XFQOSUWGLFIUKJ-QZTJIDSGSA-N 0 3 330.476 2.439 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3C[C@H]3C2)N(C)C)cc1 ZINC000899098065 693610968 /nfs/dbraw/zinc/61/09/68/693610968.db2.gz LIGFXNFDCCSZRJ-BQFCYCMXSA-N 0 3 330.476 2.407 20 10 EECDHN CO[C@@H](C)CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100544 693612746 /nfs/dbraw/zinc/61/27/46/693612746.db2.gz AKOCNJIGPFHPAB-YOEHRIQHSA-N 0 3 336.480 2.032 20 10 EECDHN COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272618507 1190932958 /nfs/dbraw/zinc/93/29/58/1190932958.db2.gz JYZNJQZLKXNAPU-IBGZPJMESA-N 0 3 332.444 2.384 20 10 EECDHN COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272618507 1190932959 /nfs/dbraw/zinc/93/29/59/1190932959.db2.gz JYZNJQZLKXNAPU-IBGZPJMESA-N 0 3 332.444 2.384 20 10 EECDHN COCc1nc(CNCc2ccc(N3CCN(C)CC3)cc2)cs1 ZINC000810169875 1199309313 /nfs/dbraw/zinc/30/93/13/1199309313.db2.gz AYESALLLNVLWHY-UHFFFAOYSA-N 0 3 346.500 2.331 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302230 1204990830 /nfs/dbraw/zinc/99/08/30/1204990830.db2.gz YSMBKRKXKKYQPV-KUHUBIRLSA-N 0 3 330.428 2.103 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302230 1204990832 /nfs/dbraw/zinc/99/08/32/1204990832.db2.gz YSMBKRKXKKYQPV-KUHUBIRLSA-N 0 3 330.428 2.103 20 10 EECDHN CN(C)c1ccc(CN2CC3(CN(Cc4ccc[nH]4)C3)C2)c(O)c1 ZINC001275584425 1205431199 /nfs/dbraw/zinc/43/11/99/1205431199.db2.gz ASEOJIWIBDZCLO-UHFFFAOYSA-N 0 3 326.444 2.104 20 10 EECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000076074395 1209026928 /nfs/dbraw/zinc/02/69/28/1209026928.db2.gz XIBXAXSAMFBSMU-CQSZACIVSA-N 0 3 335.448 2.475 20 10 EECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000076074395 1209026929 /nfs/dbraw/zinc/02/69/29/1209026929.db2.gz XIBXAXSAMFBSMU-CQSZACIVSA-N 0 3 335.448 2.475 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1)[C@H](O)CO2 ZINC000795718797 1215014737 /nfs/dbraw/zinc/01/47/37/1215014737.db2.gz NJXMHLBFPMYDGB-HIFRSBDPSA-N 0 3 347.333 2.097 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1)[C@H](O)CO2 ZINC000795718797 1215014739 /nfs/dbraw/zinc/01/47/39/1215014739.db2.gz NJXMHLBFPMYDGB-HIFRSBDPSA-N 0 3 347.333 2.097 20 10 EECDHN CCCN1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)[C@H]1C ZINC000900186437 1234074234 /nfs/dbraw/zinc/07/42/34/1234074234.db2.gz ZVQIFIYHKXHFRN-PBHICJAKSA-N 0 3 346.475 2.418 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2nc(C3CC3)no2)N(C)C)cc1 ZINC000903046716 1239613566 /nfs/dbraw/zinc/61/35/66/1239613566.db2.gz YEABMPQEDLDRTG-OAHLLOKOSA-N 0 3 343.431 2.046 20 10 EECDHN C[C@@H]1C[C@H](NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c2ncnn21 ZINC000903449192 1240497698 /nfs/dbraw/zinc/49/76/98/1240497698.db2.gz WKUNGMBJYQFMDG-COXVUDFISA-N 0 3 328.464 2.242 20 10 EECDHN C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000855733870 1293312423 /nfs/dbraw/zinc/31/24/23/1293312423.db2.gz BEAQLMRBEZXINS-MRXNPFEDSA-N 0 3 340.423 2.487 20 10 EECDHN C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000855733870 1293312428 /nfs/dbraw/zinc/31/24/28/1293312428.db2.gz BEAQLMRBEZXINS-MRXNPFEDSA-N 0 3 340.423 2.487 20 10 EECDHN COC1CCN(CCNCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858148833 1294023317 /nfs/dbraw/zinc/02/33/17/1294023317.db2.gz NBLLPHKPNYPNJX-UHFFFAOYSA-N 0 3 327.419 2.231 20 10 EECDHN C[C@@H](NCC(=O)NCC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000859229958 1294356067 /nfs/dbraw/zinc/35/60/67/1294356067.db2.gz QXSKMSHGHBOYQZ-OAHLLOKOSA-N 0 3 333.476 2.336 20 10 EECDHN CCN(CC)c1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N(C)C)c(O)c1 ZINC001277534773 1303832642 /nfs/dbraw/zinc/83/26/42/1303832642.db2.gz YGCLOLOETMNWPR-BEFAXECRSA-N 0 3 331.460 2.291 20 10 EECDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231586524 1303856011 /nfs/dbraw/zinc/85/60/11/1303856011.db2.gz BUEHRBCKDPBQND-UYAOXDASSA-N 0 3 340.423 2.272 20 10 EECDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231586524 1303856015 /nfs/dbraw/zinc/85/60/15/1303856015.db2.gz BUEHRBCKDPBQND-UYAOXDASSA-N 0 3 340.423 2.272 20 10 EECDHN CCc1noc(C2CCN(Cc3cc(OC)c(O)cc3O)CC2)n1 ZINC001231637453 1303873887 /nfs/dbraw/zinc/87/38/87/1303873887.db2.gz MSAOVWRXURUNJH-UHFFFAOYSA-N 0 3 333.388 2.431 20 10 EECDHN CC(=O)NCc1ncn2c1CN(Cc1c(C)cc(C)cc1O)CCC2 ZINC001231843821 1303928792 /nfs/dbraw/zinc/92/87/92/1303928792.db2.gz BMHIQNTYKLOOPM-UHFFFAOYSA-N 0 3 342.443 2.248 20 10 EECDHN Cc1nc(N)ccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001232345050 1304086595 /nfs/dbraw/zinc/08/65/95/1304086595.db2.gz XRCVKCZLXMNMTN-UHFFFAOYSA-N 0 3 326.444 2.441 20 10 EECDHN COC(=O)c1c(CN2CCN(C(C)C)CC2)c2ccccc2n1C ZINC001232401439 1304107645 /nfs/dbraw/zinc/10/76/45/1304107645.db2.gz JWIRUHMNICXXKR-UHFFFAOYSA-N 0 3 329.444 2.491 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCN3CCOCC3)c2c1 ZINC001234518024 1304950634 /nfs/dbraw/zinc/95/06/34/1304950634.db2.gz AQXXQENGNYGUBH-UHFFFAOYSA-N 0 3 330.428 2.318 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCN3CCOCC3)c2c1 ZINC001234518024 1304950635 /nfs/dbraw/zinc/95/06/35/1304950635.db2.gz AQXXQENGNYGUBH-UHFFFAOYSA-N 0 3 330.428 2.318 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC(N3CCOCC3)CC2)c(Cl)c1 ZINC001236798442 1305678871 /nfs/dbraw/zinc/67/88/71/1305678871.db2.gz OHOCSFPDPGLLLA-UHFFFAOYSA-N 0 3 340.851 2.351 20 10 EECDHN Cc1cccc(O)c1CN1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001237485088 1305954891 /nfs/dbraw/zinc/95/48/91/1305954891.db2.gz DCNVICLBENTVLQ-LJQANCHMSA-N 0 3 345.443 2.288 20 10 EECDHN CN1CCOc2cc(CN3CCC(C(=O)N4CCCC4)CC3)ccc21 ZINC001141143302 1315049419 /nfs/dbraw/zinc/04/94/19/1315049419.db2.gz TWKIIDHUFJQEPJ-UHFFFAOYSA-N 0 3 343.471 2.350 20 10 EECDHN COc1ccc(O)c(CN[C@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000840967068 1315448308 /nfs/dbraw/zinc/44/83/08/1315448308.db2.gz KIQSQEDMRWQTGN-INIZCTEOSA-N 0 3 330.359 2.435 20 10 EECDHN O=C(NC[C@H]1CNCCO1)N(Cc1ccccc1O)C1CCCCC1 ZINC000842012192 1315651306 /nfs/dbraw/zinc/65/13/06/1315651306.db2.gz VHALSBKEVODRDD-QGZVFWFLSA-N 0 3 347.459 2.225 20 10 EECDHN Cc1cncc(CNCCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001153048006 1316767239 /nfs/dbraw/zinc/76/72/39/1316767239.db2.gz PXAXOHVBECSXKG-UHFFFAOYSA-N 0 3 340.387 2.072 20 10 EECDHN COc1ccc(N2CCN(CCCNc3ccc(N)nc3)CC2)cc1 ZINC001164334720 1321354088 /nfs/dbraw/zinc/35/40/88/1321354088.db2.gz ZAMYRAGDHSOFBR-UHFFFAOYSA-N 0 3 341.459 2.297 20 10 EECDHN O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552277 1321910718 /nfs/dbraw/zinc/91/07/18/1321910718.db2.gz HKJUGJIELPYWCB-PXNSSMCTSA-N 0 3 337.423 2.316 20 10 EECDHN O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552277 1321910719 /nfs/dbraw/zinc/91/07/19/1321910719.db2.gz HKJUGJIELPYWCB-PXNSSMCTSA-N 0 3 337.423 2.316 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001203621352 1321924552 /nfs/dbraw/zinc/92/45/52/1321924552.db2.gz BFXZCSWNGFUBJE-FOLVSLTJSA-N 0 3 334.416 2.356 20 10 EECDHN COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c([O-])c1 ZINC001203621352 1321924553 /nfs/dbraw/zinc/92/45/53/1321924553.db2.gz BFXZCSWNGFUBJE-FOLVSLTJSA-N 0 3 334.416 2.356 20 10 EECDHN Oc1ccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)cc1O ZINC001203877753 1321980727 /nfs/dbraw/zinc/98/07/27/1321980727.db2.gz IULFDPPFRVGVNE-IBGZPJMESA-N 0 3 340.427 2.380 20 10 EECDHN O=C1CCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)N1CC1CC1 ZINC001204273049 1322098516 /nfs/dbraw/zinc/09/85/16/1322098516.db2.gz KGHJZMIOZSHWNL-UHFFFAOYSA-N 0 3 330.428 2.465 20 10 EECDHN CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204272444 1322099335 /nfs/dbraw/zinc/09/93/35/1322099335.db2.gz ODZYIVNZBFKIQZ-QKDCVEJESA-N 0 3 334.416 2.300 20 10 EECDHN CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204272444 1322099342 /nfs/dbraw/zinc/09/93/42/1322099342.db2.gz ODZYIVNZBFKIQZ-QKDCVEJESA-N 0 3 334.416 2.300 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1Br ZINC001206435095 1323492717 /nfs/dbraw/zinc/49/27/17/1323492717.db2.gz JRDTTXHIJXPIFU-NXEZZACHSA-N 0 3 333.201 2.034 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc(C3CC3)[nH]2)N(C)C)cc1 ZINC001333624722 1336090744 /nfs/dbraw/zinc/09/07/44/1336090744.db2.gz HVEFKFLVOBQONZ-KRWDZBQOSA-N 0 3 341.459 2.386 20 10 EECDHN CCOc1ccnc(N2CCCN(Cc3ccc(N)cc3)CC2)n1 ZINC001337837595 1336742642 /nfs/dbraw/zinc/74/26/42/1336742642.db2.gz CUGHOCPQCWUZFT-UHFFFAOYSA-N 0 3 327.432 2.170 20 10 EECDHN C[C@H](CO)[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852421738 1369269764 /nfs/dbraw/zinc/26/97/64/1369269764.db2.gz HQYXTQSKAWNCRM-VQIMIIECSA-N 0 3 347.503 2.194 20 10 EECDHN CCN(CC)c1ccc(CN2CCN(c3ccncn3)CC2)c(O)c1 ZINC001140856695 1372698800 /nfs/dbraw/zinc/69/88/00/1372698800.db2.gz GWQVLCDRTIPECF-UHFFFAOYSA-N 0 3 341.459 2.351 20 10 EECDHN CCN(CC)c1ccc(CN2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC001140857351 1372699001 /nfs/dbraw/zinc/69/90/01/1372699001.db2.gz VODZYAUAPVVHHR-UHFFFAOYSA-N 0 3 335.492 2.127 20 10 EECDHN CS[C@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893796727 780180378 /nfs/dbraw/zinc/18/03/78/780180378.db2.gz BCTYTFOQYYCCAA-CJNGLKHVSA-N 0 3 338.521 2.406 20 10 EECDHN C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000893968021 780349876 /nfs/dbraw/zinc/34/98/76/780349876.db2.gz MJERHAIOLSKRJY-QGPMSJSTSA-N 0 3 348.491 2.222 20 10 EECDHN C[N@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000816617212 784154337 /nfs/dbraw/zinc/15/43/37/784154337.db2.gz RAKWZJRUTJRIFQ-OAHLLOKOSA-N 0 3 334.441 2.011 20 10 EECDHN C[N@@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000816617212 784154340 /nfs/dbraw/zinc/15/43/40/784154340.db2.gz RAKWZJRUTJRIFQ-OAHLLOKOSA-N 0 3 334.441 2.011 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](C)C3)CC2)cc1 ZINC000009996485 785718613 /nfs/dbraw/zinc/71/86/13/785718613.db2.gz XEBLTSTVIFHBJX-INIZCTEOSA-N 0 3 331.460 2.076 20 10 EECDHN COc1cc(Cl)cc(CN2CCC3(CNC(=O)N3C)CC2)c1O ZINC000822529489 787236384 /nfs/dbraw/zinc/23/63/84/787236384.db2.gz DQSUGXYVOHKZRG-UHFFFAOYSA-N 0 3 339.823 2.044 20 10 EECDHN COc1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1[O-] ZINC000822529489 787236388 /nfs/dbraw/zinc/23/63/88/787236388.db2.gz DQSUGXYVOHKZRG-UHFFFAOYSA-N 0 3 339.823 2.044 20 10 EECDHN O=C(N1C[C@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824828092 788330600 /nfs/dbraw/zinc/33/06/00/788330600.db2.gz LBCOTNPFEZLISJ-DGCLKSJQSA-N 0 3 328.334 2.235 20 10 EECDHN O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824828092 788330608 /nfs/dbraw/zinc/33/06/08/788330608.db2.gz LBCOTNPFEZLISJ-DGCLKSJQSA-N 0 3 328.334 2.235 20 10 EECDHN CN1CCC(CCO)([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825519230 788663154 /nfs/dbraw/zinc/66/31/54/788663154.db2.gz BGMBCVWMRYFGAE-UHFFFAOYSA-N 0 3 343.265 2.091 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(C)CC3CCCC3)CC2)cc1 ZINC000064014488 792112051 /nfs/dbraw/zinc/11/20/51/792112051.db2.gz UJTIJLGFRGMTNK-UHFFFAOYSA-N 0 3 345.487 2.466 20 10 EECDHN CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc3c(c2)CCO3)CC1=O ZINC001171687352 796710340 /nfs/dbraw/zinc/71/03/40/796710340.db2.gz JSSONAQDVYMOPP-AWEZNQCLSA-N 0 3 332.400 2.247 20 10 EECDHN CCOc1ccc(O)c(CN[C@H]2CCCc3c2cnn3CCO)c1 ZINC000377168503 238285023 /nfs/dbraw/zinc/28/50/23/238285023.db2.gz MWQGSZHRIHXVIQ-INIZCTEOSA-N 0 3 331.416 2.147 20 10 EECDHN CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191202223 285316165 /nfs/dbraw/zinc/31/61/65/285316165.db2.gz LCXKVDLWJGGVFJ-ZDUSSCGKSA-N 0 3 327.419 2.349 20 10 EECDHN CC[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccccc1[O-] ZINC000156713431 463060495 /nfs/dbraw/zinc/06/04/95/463060495.db2.gz REEBSTRINHZCCE-INIZCTEOSA-N 0 3 338.473 2.390 20 10 EECDHN COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])ccc1OCC(N)=O ZINC000185204934 463777478 /nfs/dbraw/zinc/77/74/78/463777478.db2.gz FNIWQYROXRFYKW-ZDUSSCGKSA-N 0 3 344.411 2.424 20 10 EECDHN CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000277076641 463866421 /nfs/dbraw/zinc/86/64/21/463866421.db2.gz RUXPGLMVRREMPB-UHFFFAOYSA-N 0 3 344.452 2.214 20 10 EECDHN Cc1cc(N2CC[C@@H](N[C@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186083113 463934047 /nfs/dbraw/zinc/93/40/47/463934047.db2.gz DVKSLANDCIUGJG-UKRRQHHQSA-N 0 3 328.416 2.199 20 10 EECDHN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000289570279 464086312 /nfs/dbraw/zinc/08/63/12/464086312.db2.gz JMPCOJRKBVWWJM-CQSZACIVSA-N 0 3 336.432 2.290 20 10 EECDHN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000289570279 464086317 /nfs/dbraw/zinc/08/63/17/464086317.db2.gz JMPCOJRKBVWWJM-CQSZACIVSA-N 0 3 336.432 2.290 20 10 EECDHN CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(C)cc1[O-] ZINC000280036771 464183573 /nfs/dbraw/zinc/18/35/73/464183573.db2.gz INSRHVWXWSOZSN-CVEARBPZSA-N 0 3 328.416 2.280 20 10 EECDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000228099362 464190866 /nfs/dbraw/zinc/19/08/66/464190866.db2.gz WJTZBXTUIUAWAC-OAHLLOKOSA-N 0 3 341.249 2.421 20 10 EECDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000228099362 464190871 /nfs/dbraw/zinc/19/08/71/464190871.db2.gz WJTZBXTUIUAWAC-OAHLLOKOSA-N 0 3 341.249 2.421 20 10 EECDHN C[C@@H](O)CN1CCN(Cc2cc(Br)ccc2O)[C@@H](C)C1 ZINC000284455903 464198551 /nfs/dbraw/zinc/19/85/51/464198551.db2.gz USCANTPFUVJUBX-NWDGAFQWSA-N 0 3 343.265 2.042 20 10 EECDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCCC1 ZINC000281610659 464520804 /nfs/dbraw/zinc/52/08/04/464520804.db2.gz MWURFRBZSOCAKZ-GJZGRUSLSA-N 0 3 349.450 2.324 20 10 EECDHN CCN(CCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-])S(C)(=O)=O ZINC000273297321 464711048 /nfs/dbraw/zinc/71/10/48/464711048.db2.gz AKBDMSCHBGSTAM-CQSZACIVSA-N 0 3 328.478 2.331 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@H](C)COC ZINC000282484977 464836444 /nfs/dbraw/zinc/83/64/44/464836444.db2.gz PESOCWOCEUXXCZ-WBVHZDCISA-N 0 3 325.449 2.407 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@H](C)COC ZINC000282484977 464836449 /nfs/dbraw/zinc/83/64/49/464836449.db2.gz PESOCWOCEUXXCZ-WBVHZDCISA-N 0 3 325.449 2.407 20 10 EECDHN CNC(=O)C[C@H](C)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000298717071 465482388 /nfs/dbraw/zinc/48/23/88/465482388.db2.gz YHZLKHHULGTSQL-IHRRRGAJSA-N 0 3 337.439 2.054 20 10 EECDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369126267 466715195 /nfs/dbraw/zinc/71/51/95/466715195.db2.gz RCBYEMRDTRCIJC-IAGOWNOFSA-N 0 3 347.459 2.177 20 10 EECDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000418093800 467042736 /nfs/dbraw/zinc/04/27/36/467042736.db2.gz CKZYNUORISQPMS-OAHLLOKOSA-N 0 3 336.386 2.283 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@](O)(c3ccc(F)cc3)C1)OCO2 ZINC000378475861 467315565 /nfs/dbraw/zinc/31/55/65/467315565.db2.gz UUTLWRHYZFFSBO-SFHVURJKSA-N 0 3 331.343 2.354 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@](O)(c3ccc(F)cc3)C1)OCO2 ZINC000378475861 467315569 /nfs/dbraw/zinc/31/55/69/467315569.db2.gz UUTLWRHYZFFSBO-SFHVURJKSA-N 0 3 331.343 2.354 20 10 EECDHN Oc1cc2c(cc1CN1CC[C@@](O)(c3ccc(F)cc3)C1)OCO2 ZINC000378475861 467315571 /nfs/dbraw/zinc/31/55/71/467315571.db2.gz UUTLWRHYZFFSBO-SFHVURJKSA-N 0 3 331.343 2.354 20 10 EECDHN COc1ccc(C[NH2+]C[C@@]([O-])(c2nccn2C)C(F)(F)F)cc1C ZINC000299304514 524071893 /nfs/dbraw/zinc/07/18/93/524071893.db2.gz BUHJOFPAWJDPTO-OAHLLOKOSA-N 0 3 343.349 2.277 20 10 EECDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000776869269 577469138 /nfs/dbraw/zinc/46/91/38/577469138.db2.gz WTBZYZUXNGWTSD-AOLWHUPESA-N 0 3 339.407 2.490 20 10 EECDHN [O-]c1cc2c(cc1CN1CC[C@@H](C[NH+]3CCCCC3)C1)[C@@H](O)CO2 ZINC000768466129 577556527 /nfs/dbraw/zinc/55/65/27/577556527.db2.gz MPLOORZIJUGFMG-KSSFIOAISA-N 0 3 332.444 2.126 20 10 EECDHN COc1cccc([O-])c1CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000769191440 577572053 /nfs/dbraw/zinc/57/20/53/577572053.db2.gz ANAUQAZNRSDMNK-CALCHBBNSA-N 0 3 347.503 2.391 20 10 EECDHN COc1cccc([O-])c1CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000769191440 577572054 /nfs/dbraw/zinc/57/20/54/577572054.db2.gz ANAUQAZNRSDMNK-CALCHBBNSA-N 0 3 347.503 2.391 20 10 EECDHN CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c([O-])c1 ZINC000770332660 577594129 /nfs/dbraw/zinc/59/41/29/577594129.db2.gz PLELMOUAIDBAIM-YJBOKZPZSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c([O-])c1 ZINC000770332660 577594130 /nfs/dbraw/zinc/59/41/30/577594130.db2.gz PLELMOUAIDBAIM-YJBOKZPZSA-N 0 3 345.443 2.470 20 10 EECDHN COc1cc(Br)cc(C[NH2+][C@H](CO)CC(F)F)c1[O-] ZINC000758614856 577628456 /nfs/dbraw/zinc/62/84/56/577628456.db2.gz KIWREGXRRSFDSR-VIFPVBQESA-N 0 3 340.164 2.269 20 10 EECDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1-c1nnn[n-]1 ZINC000826201901 608459871 /nfs/dbraw/zinc/45/98/71/608459871.db2.gz IBABWJMZAWGUPJ-LLVKDONJSA-N 0 3 325.372 2.432 20 10 EECDHN Cc1oc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1CO ZINC000891246934 676242297 /nfs/dbraw/zinc/24/22/97/676242297.db2.gz QYANEFPOVXNSPY-KRWDZBQOSA-N 0 3 345.443 2.179 20 10 EECDHN CCn1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891248645 676242732 /nfs/dbraw/zinc/24/27/32/676242732.db2.gz ZPKMGTHLXDIBBB-KRWDZBQOSA-N 0 3 329.448 2.002 20 10 EECDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnccn1 ZINC000891248576 676242761 /nfs/dbraw/zinc/24/27/61/676242761.db2.gz ZDVAEARZXBLSQY-RDTXWAMCSA-N 0 3 341.459 2.065 20 10 EECDHN COC[C@H](C)[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247766 676243084 /nfs/dbraw/zinc/24/30/84/676243084.db2.gz KEJLWXXQKZHRMK-RLFYNMQTSA-N 0 3 335.492 2.390 20 10 EECDHN CCn1ccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249078 676245125 /nfs/dbraw/zinc/24/51/25/676245125.db2.gz PFMOEEWLGPRCFG-INIZCTEOSA-N 0 3 329.448 2.002 20 10 EECDHN COc1cc(Br)cc(CN[C@@H](C)c2n[nH]c(C)n2)c1O ZINC000894771832 683076856 /nfs/dbraw/zinc/07/68/56/683076856.db2.gz XTQOZJVWQOCQDD-ZETCQYMHSA-N 0 3 341.209 2.441 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000893054443 683652277 /nfs/dbraw/zinc/65/22/77/683652277.db2.gz XFQOSUWGLFIUKJ-MSOLQXFVSA-N 0 3 330.476 2.439 20 10 EECDHN CCCOc1ccc(CN[C@@H](CC)CNS(C)(=O)=O)cc1C ZINC000873131376 1198508819 /nfs/dbraw/zinc/50/88/19/1198508819.db2.gz OKIJUPOQBMOPKZ-HNNXBMFYSA-N 0 3 328.478 2.201 20 10 EECDHN CCCCN1CC[C@@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836042 1205183835 /nfs/dbraw/zinc/18/38/35/1205183835.db2.gz DAKYABZFBNUHGS-GOSISDBHSA-N 0 3 334.416 2.028 20 10 EECDHN COC1(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4[O-])[C@@H]3C2)CCC1 ZINC001275267192 1205294410 /nfs/dbraw/zinc/29/44/10/1205294410.db2.gz ZHVIOMPPVFNVEO-DOTOQJQBSA-N 0 3 344.455 2.384 20 10 EECDHN COC1(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4[O-])[C@@H]3C2)CCC1 ZINC001275267192 1205294412 /nfs/dbraw/zinc/29/44/12/1205294412.db2.gz ZHVIOMPPVFNVEO-DOTOQJQBSA-N 0 3 344.455 2.384 20 10 EECDHN Cc1n[nH]cc1[C@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000779020910 1208443925 /nfs/dbraw/zinc/44/39/25/1208443925.db2.gz VQHMFFBMEMGILF-BBRMVZONSA-N 0 3 341.459 2.271 20 10 EECDHN COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])cccc1F ZINC001276359928 1213968062 /nfs/dbraw/zinc/96/80/62/1213968062.db2.gz NRFCNEBLJGWSNB-GOOCMWNKSA-N 0 3 338.423 2.237 20 10 EECDHN COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])cccc1F ZINC001276359928 1213968069 /nfs/dbraw/zinc/96/80/69/1213968069.db2.gz NRFCNEBLJGWSNB-GOOCMWNKSA-N 0 3 338.423 2.237 20 10 EECDHN CC[C@@H](C)N1CC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184738 1234073352 /nfs/dbraw/zinc/07/33/52/1234073352.db2.gz FXPTZSKEXVRDJH-RHSMWYFYSA-N 0 3 346.475 2.418 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000903290772 1240187505 /nfs/dbraw/zinc/18/75/05/1240187505.db2.gz FHHGSWXTOFITSH-YPMHNXCESA-N 0 3 342.436 2.095 20 10 EECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000815607314 1278159450 /nfs/dbraw/zinc/15/94/50/1278159450.db2.gz WFWZFZBOYSWPMS-IQUTYRLHSA-N 0 3 345.443 2.380 20 10 EECDHN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)CCN(C)C)cc1 ZINC000859808730 1294655389 /nfs/dbraw/zinc/65/53/89/1294655389.db2.gz VHGZIZXVOJARHG-UHFFFAOYSA-N 0 3 341.455 2.469 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCNC2=O)c1[O-] ZINC000886745106 1296706679 /nfs/dbraw/zinc/70/66/79/1296706679.db2.gz OGOGXSITCUHVDW-SNVBAGLBSA-N 0 3 342.237 2.139 20 10 EECDHN C[C@@]1(NC(=O)c2cccc(O)c2O)CCN(Cc2ccccc2)C1 ZINC000406066335 1297498891 /nfs/dbraw/zinc/49/88/91/1297498891.db2.gz OURMUMCFGLOVGC-LJQANCHMSA-N 0 3 326.396 2.492 20 10 EECDHN O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[C@@H]4NCCO[C@H]43)cccc21 ZINC001218149824 1297584562 /nfs/dbraw/zinc/58/45/62/1297584562.db2.gz SQYSVIPLQWBBKP-HZUJVAHNSA-N 0 3 349.386 2.360 20 10 EECDHN CCc1ccc(CN2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c(O)c1 ZINC001276805195 1298025518 /nfs/dbraw/zinc/02/55/18/1298025518.db2.gz SJYPDBKIXJNGQN-KDURUIRLSA-N 0 3 341.455 2.368 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3CN(CC(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001276814046 1298443323 /nfs/dbraw/zinc/44/33/23/1298443323.db2.gz BQWXXBFOLFQQNS-FUHWJXTLSA-N 0 3 345.487 2.110 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3CN(CC(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001276814046 1298443329 /nfs/dbraw/zinc/44/33/29/1298443329.db2.gz BQWXXBFOLFQQNS-FUHWJXTLSA-N 0 3 345.487 2.110 20 10 EECDHN CCOC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(N(CC)CC)cc3)C[C@@H]2N1 ZINC001235269353 1305171859 /nfs/dbraw/zinc/17/18/59/1305171859.db2.gz NFFADPYJHDTGFL-QRQLOZEOSA-N 0 3 345.487 2.258 20 10 EECDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCOC)C3=O)C2)c([O-])c1 ZINC001236788392 1305676259 /nfs/dbraw/zinc/67/62/59/1305676259.db2.gz SVQPRPJINZGTSZ-HXUWFJFHSA-N 0 3 346.471 2.416 20 10 EECDHN CCc1ccc(C[N@H+]2CCC[C@@]3(CCN(CCOC)C3=O)C2)c([O-])c1 ZINC001236788392 1305676261 /nfs/dbraw/zinc/67/62/61/1305676261.db2.gz SVQPRPJINZGTSZ-HXUWFJFHSA-N 0 3 346.471 2.416 20 10 EECDHN CC(=O)N1CCCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051299 1305778676 /nfs/dbraw/zinc/77/86/76/1305778676.db2.gz JVWIJYCTBAUDSL-UHFFFAOYSA-N 0 3 346.349 2.388 20 10 EECDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000828667056 1314469193 /nfs/dbraw/zinc/46/91/93/1314469193.db2.gz MEOSALSHDMKQHV-SJCJKPOMSA-N 0 3 326.396 2.465 20 10 EECDHN CC(=O)c1ccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000832300268 1314670178 /nfs/dbraw/zinc/67/01/78/1314670178.db2.gz QIMWCHWDSIPWHJ-SFHVURJKSA-N 0 3 325.412 2.385 20 10 EECDHN Cc1c(O)ccc(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)c1O ZINC001140749973 1314955374 /nfs/dbraw/zinc/95/53/74/1314955374.db2.gz QOLJJBLSLZGGSC-OAHLLOKOSA-N 0 3 333.432 2.176 20 10 EECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000841332205 1315533227 /nfs/dbraw/zinc/53/32/27/1315533227.db2.gz NXDRERSTVVKQLD-LLVKDONJSA-N 0 3 327.384 2.454 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H](O)[C@](C)(CO)C3)ccc2O1 ZINC001249223449 1317027885 /nfs/dbraw/zinc/02/78/85/1317027885.db2.gz GSGVIYINQLKEMQ-LPHOPBHVSA-N 0 3 333.428 2.142 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H](O)[C@](C)(CO)C3)ccc2O1 ZINC001249223449 1317027893 /nfs/dbraw/zinc/02/78/93/1317027893.db2.gz GSGVIYINQLKEMQ-LPHOPBHVSA-N 0 3 333.428 2.142 20 10 EECDHN CC(C)(C)OC(=O)N1CC[C@](O)(C[N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001251409170 1317456866 /nfs/dbraw/zinc/45/68/66/1317456866.db2.gz DFVJRLWQXIJKHJ-IBGZPJMESA-N 0 3 348.443 2.122 20 10 EECDHN CC(C)(C)OC(=O)N1CC[C@](O)(C[N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001251409170 1317456871 /nfs/dbraw/zinc/45/68/71/1317456871.db2.gz DFVJRLWQXIJKHJ-IBGZPJMESA-N 0 3 348.443 2.122 20 10 EECDHN CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001254020187 1317983678 /nfs/dbraw/zinc/98/36/78/1317983678.db2.gz VEGHPYQFGXEWLQ-INIZCTEOSA-N 0 3 347.411 2.415 20 10 EECDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001157435632 1318640515 /nfs/dbraw/zinc/64/05/15/1318640515.db2.gz UMAWIVUJTOKQFS-RHSMWYFYSA-N 0 3 342.443 2.042 20 10 EECDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001157435632 1318640525 /nfs/dbraw/zinc/64/05/25/1318640525.db2.gz UMAWIVUJTOKQFS-RHSMWYFYSA-N 0 3 342.443 2.042 20 10 EECDHN COc1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001203634567 1321929359 /nfs/dbraw/zinc/92/93/59/1321929359.db2.gz MCBIEICITMFHGX-HIFRSBDPSA-N 0 3 334.416 2.452 20 10 EECDHN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)c1 ZINC001203681373 1321940081 /nfs/dbraw/zinc/94/00/81/1321940081.db2.gz VINXGTMJHKMZJX-OAHLLOKOSA-N 0 3 333.432 2.171 20 10 EECDHN Oc1ccc(CN2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)cc1O ZINC001203877896 1321980314 /nfs/dbraw/zinc/98/03/14/1321980314.db2.gz YSYNJSZZAYLAMJ-HNAYVOBHSA-N 0 3 344.411 2.024 20 10 EECDHN O=c1ccc2c(n1CC1CC1)CC[N@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204275114 1322101431 /nfs/dbraw/zinc/10/14/31/1322101431.db2.gz XDBLAPVJIPXEBQ-UHFFFAOYSA-N 0 3 340.423 2.270 20 10 EECDHN O=c1ccc2c(n1CC1CC1)CC[N@@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204275114 1322101434 /nfs/dbraw/zinc/10/14/34/1322101434.db2.gz XDBLAPVJIPXEBQ-UHFFFAOYSA-N 0 3 340.423 2.270 20 10 EECDHN COc1cc(C)c(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c([O-])c1 ZINC001308943677 1331609399 /nfs/dbraw/zinc/60/93/99/1331609399.db2.gz LUACOIZOBONHHL-GOSISDBHSA-N 0 3 334.416 2.420 20 10 EECDHN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(N2CCCC2)cc1 ZINC001321448033 1333106884 /nfs/dbraw/zinc/10/68/84/1333106884.db2.gz JYZHFGMBVZFCPB-LJQANCHMSA-N 0 3 334.460 2.469 20 10 EECDHN COc1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c(O)c1OC ZINC001334214387 1336222636 /nfs/dbraw/zinc/22/26/36/1336222636.db2.gz MIOQVZBNBWLZNB-INIZCTEOSA-N 0 3 347.415 2.078 20 10 EECDHN Cc1nccnc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001345501570 1337448311 /nfs/dbraw/zinc/44/83/11/1337448311.db2.gz XLRBZMRBNAMMSK-MRXNPFEDSA-N 0 3 342.447 2.275 20 10 EECDHN COc1ccccc1CCNC(=O)CNCc1cc(C)ccc1O ZINC000797883625 1371551074 /nfs/dbraw/zinc/55/10/74/1371551074.db2.gz IAPVWAYQERUKTB-UHFFFAOYSA-N 0 3 328.412 2.158 20 10 EECDHN O=C1OCCC12CCN(Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC001140287310 1372557721 /nfs/dbraw/zinc/55/77/21/1372557721.db2.gz OINDWPNVWZAZFM-UHFFFAOYSA-N 0 3 344.455 2.177 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(N)c2)N(C)C)cc1 ZINC001355639921 1373168671 /nfs/dbraw/zinc/16/86/71/1373168671.db2.gz LZNAGEMBCAAVHO-GOSISDBHSA-N 0 3 326.444 2.368 20 10 EECDHN CCCN1C[C@@H](C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1=O ZINC000817411299 784763665 /nfs/dbraw/zinc/76/36/65/784763665.db2.gz PEUPOFPHVHPLTE-LLVKDONJSA-N 0 3 326.824 2.402 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CC[C@@]2(O)CCCOC2)c1[O-] ZINC000846106665 790063904 /nfs/dbraw/zinc/06/39/04/790063904.db2.gz DHSGQISTSIIQCO-HNNXBMFYSA-N 0 3 344.249 2.484 20 10 EECDHN CC[C@@H](C)CN(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000171949935 791508835 /nfs/dbraw/zinc/50/88/35/791508835.db2.gz KWQOFVFWVMXNEP-MRXNPFEDSA-N 0 3 333.476 2.322 20 10 EECDHN CC(C)(C)N(C(=O)c1cccc(O)c1[O-])[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001148213535 792247504 /nfs/dbraw/zinc/24/75/04/792247504.db2.gz FWPZEWORWQCCAV-CYBMUJFWSA-N 0 3 348.443 2.250 20 10 EECDHN COc1ccc(N2CCN([C@@H]3CCN(C4CC4)C(=O)C3)CC2)c(C)c1 ZINC001172019710 796846826 /nfs/dbraw/zinc/84/68/26/796846826.db2.gz QQRQMLCWURETHC-QGZVFWFLSA-N 0 3 343.471 2.279 20 10 EECDHN COCC(=O)NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000917457653 798232815 /nfs/dbraw/zinc/23/28/15/798232815.db2.gz TYVFJJBMOVPANI-UHFFFAOYSA-N 0 3 328.412 2.272 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000806173940 811772624 /nfs/dbraw/zinc/77/26/24/811772624.db2.gz OXNTXVYZWFTDJA-NTZNESFSSA-N 0 3 327.421 2.494 20 10 EECDHN CC[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000090017851 529671699 /nfs/dbraw/zinc/67/16/99/529671699.db2.gz HMPUTLGOYZIWQA-ROUUACIJSA-N 0 3 341.459 2.332 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1OC ZINC000191683456 237268970 /nfs/dbraw/zinc/26/89/70/237268970.db2.gz ZQAYKSVXGVTXGY-MRXNPFEDSA-N 0 3 331.412 2.411 20 10 EECDHN CCN1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191202243 285316175 /nfs/dbraw/zinc/31/61/75/285316175.db2.gz LCXKVDLWJGGVFJ-CYBMUJFWSA-N 0 3 327.419 2.349 20 10 EECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000296167584 465101330 /nfs/dbraw/zinc/10/13/30/465101330.db2.gz XNIRSTPMUABODB-ZFWWWQNUSA-N 0 3 343.379 2.138 20 10 EECDHN C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N(C)C1CC1 ZINC000154732179 462802331 /nfs/dbraw/zinc/80/23/31/462802331.db2.gz ZSEHLYRTKNAWMV-HNNXBMFYSA-N 0 3 328.460 2.345 20 10 EECDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H](C)C(=O)N(C)C ZINC000076118427 462811379 /nfs/dbraw/zinc/81/13/79/462811379.db2.gz BFEDMLKCNTZWNA-JTQLQIEISA-N 0 3 329.238 2.453 20 10 EECDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H](C)C(=O)N(C)C ZINC000076118427 462811381 /nfs/dbraw/zinc/81/13/81/462811381.db2.gz BFEDMLKCNTZWNA-JTQLQIEISA-N 0 3 329.238 2.453 20 10 EECDHN CC[C@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000269039806 463854245 /nfs/dbraw/zinc/85/42/45/463854245.db2.gz TUPXYZNELXWGKH-RDJZCZTQSA-N 0 3 339.505 2.217 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000194454097 463865236 /nfs/dbraw/zinc/86/52/36/463865236.db2.gz HYLTZPHRHRWAPJ-ZDUSSCGKSA-N 0 3 334.441 2.241 20 10 EECDHN C[C@H](CN1CCCC1=O)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178498442 463910811 /nfs/dbraw/zinc/91/08/11/463910811.db2.gz JZJWOTYSMLVGEX-CABCVRRESA-N 0 3 349.450 2.324 20 10 EECDHN CN(c1ccc(CNC(=O)C[C@H]2CNCCO2)cc1)C1CCCCC1 ZINC000269239325 463922724 /nfs/dbraw/zinc/92/27/24/463922724.db2.gz INEGMWGHURJPQQ-IBGZPJMESA-N 0 3 345.487 2.450 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1[C@H](CC)CC[C@@H]1C)cc2=O ZINC000271558708 464332877 /nfs/dbraw/zinc/33/28/77/464332877.db2.gz PHZURIMEZFAZSK-WCQYABFASA-N 0 3 332.404 2.375 20 10 EECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1c(C)cc(C)cc1[O-])CC2 ZINC000285197976 464484307 /nfs/dbraw/zinc/48/43/07/464484307.db2.gz NZVIUVJEWDVUKV-ZIAGYGMSSA-N 0 3 330.432 2.413 20 10 EECDHN CCOc1cccc(C[NH2+]CC2(OCCOC)CCOCC2)c1[O-] ZINC000294809012 464612242 /nfs/dbraw/zinc/61/22/42/464612242.db2.gz NQLWSMGMGGIKSB-UHFFFAOYSA-N 0 3 339.432 2.093 20 10 EECDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369126268 466714922 /nfs/dbraw/zinc/71/49/22/466714922.db2.gz RCBYEMRDTRCIJC-IRXDYDNUSA-N 0 3 347.459 2.177 20 10 EECDHN OCCOCCNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375666917 466854071 /nfs/dbraw/zinc/85/40/71/466854071.db2.gz UDAWLOUIIWVBSM-UHFFFAOYSA-N 0 3 326.440 2.348 20 10 EECDHN CCOc1cccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1[O-] ZINC000529663257 467892171 /nfs/dbraw/zinc/89/21/71/467892171.db2.gz IEKGBUUZQDUTSF-UHFFFAOYSA-N 0 3 334.460 2.478 20 10 EECDHN CN(C)c1ccc(C[NH2+]C[C@]([O-])(c2nccn2C)C(F)(F)F)cc1 ZINC000299319064 522209433 /nfs/dbraw/zinc/20/94/33/522209433.db2.gz HSHNEPFFICRUEA-HNNXBMFYSA-N 0 3 342.365 2.026 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c([O-])c1C ZINC000756395867 577843316 /nfs/dbraw/zinc/84/33/16/577843316.db2.gz ZYADSOMKSXPRQZ-CYBMUJFWSA-N 0 3 326.462 2.084 20 10 EECDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1-c1nnn[n-]1 ZINC000826201902 608459896 /nfs/dbraw/zinc/45/98/96/608459896.db2.gz IBABWJMZAWGUPJ-NSHDSACASA-N 0 3 325.372 2.432 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C2CCC(O)CC2)N(C)C)cc1 ZINC000891248366 676242550 /nfs/dbraw/zinc/24/25/50/676242550.db2.gz LEEKHENCKKRFKS-VJFUWPCTSA-N 0 3 333.476 2.023 20 10 EECDHN CCn1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000891248668 676244862 /nfs/dbraw/zinc/24/48/62/676244862.db2.gz ZXRGIAMTZXPMMJ-SFHVURJKSA-N 0 3 343.475 2.310 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C2(C)CCOCC2)N(C)C)cc1 ZINC000891250493 676245482 /nfs/dbraw/zinc/24/54/82/676245482.db2.gz AIIAOBBILFDLFY-QGZVFWFLSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NOC/C=C\Cl)N(C)C)cc1 ZINC000894991357 683453556 /nfs/dbraw/zinc/45/35/56/683453556.db2.gz NUVPBHWOASLLSZ-ANOSYLROSA-N 0 3 340.855 2.339 20 10 EECDHN COc1ccc(C[N@H+](C)C2CCC(NC(C)=O)CC2)c([O-])c1OC ZINC000893534042 693294453 /nfs/dbraw/zinc/29/44/53/693294453.db2.gz GDOFSOZIXRDHQM-UHFFFAOYSA-N 0 3 336.432 2.289 20 10 EECDHN COc1ccc(C[N@@H+](C)C2CCC(NC(C)=O)CC2)c([O-])c1OC ZINC000893534042 693294454 /nfs/dbraw/zinc/29/44/54/693294454.db2.gz GDOFSOZIXRDHQM-UHFFFAOYSA-N 0 3 336.432 2.289 20 10 EECDHN CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982126 1194291101 /nfs/dbraw/zinc/29/11/01/1194291101.db2.gz GCAPMVHRGCEUTE-IBGZPJMESA-N 0 3 346.427 2.239 20 10 EECDHN CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982126 1194291104 /nfs/dbraw/zinc/29/11/04/1194291104.db2.gz GCAPMVHRGCEUTE-IBGZPJMESA-N 0 3 346.427 2.239 20 10 EECDHN CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000794814049 1198082323 /nfs/dbraw/zinc/08/23/23/1198082323.db2.gz GPFAKSYVZHXQPT-DZGCQCFKSA-N 0 3 326.462 2.023 20 10 EECDHN OC1CCN(c2ccc(CN3CCC[C@@H](n4ccnn4)C3)cc2)CC1 ZINC000877597707 1199976814 /nfs/dbraw/zinc/97/68/14/1199976814.db2.gz VTWRXERGRZDSLM-GOSISDBHSA-N 0 3 341.459 2.076 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099388 1204370412 /nfs/dbraw/zinc/37/04/12/1204370412.db2.gz GFQALPUVZSZKSZ-BFUOFWGJSA-N 0 3 348.418 2.242 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099388 1204370416 /nfs/dbraw/zinc/37/04/16/1204370416.db2.gz GFQALPUVZSZKSZ-BFUOFWGJSA-N 0 3 348.418 2.242 20 10 EECDHN CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3cc(F)ccc3[O-])(C1)CCC2 ZINC001275909451 1205581360 /nfs/dbraw/zinc/58/13/60/1205581360.db2.gz ZHOHDTBSKIOTNW-MOPGFXCFSA-N 0 3 349.450 2.144 20 10 EECDHN COc1cc(CN2CC3(C2)CCN(Cc2ccc[nH]2)C3)cc(O)c1O ZINC001275962865 1205605470 /nfs/dbraw/zinc/60/54/70/1205605470.db2.gz LHRGQOBKKSHEPM-UHFFFAOYSA-N 0 3 343.427 2.142 20 10 EECDHN CCn1ccnc1CN1CC2(C1)CN(Cc1ccc(C)cc1O)C2 ZINC001276168172 1205811239 /nfs/dbraw/zinc/81/12/39/1205811239.db2.gz BREAJVPTUDUSHY-UHFFFAOYSA-N 0 3 326.444 2.235 20 10 EECDHN COCCOCN1CC2(C1)CCC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001276169334 1205811647 /nfs/dbraw/zinc/81/16/47/1205811647.db2.gz PWSCYFXPTALFTA-UHFFFAOYSA-N 0 3 334.460 2.219 20 10 EECDHN COCCOCN1CC2(C1)CCC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001276169334 1205811648 /nfs/dbraw/zinc/81/16/48/1205811648.db2.gz PWSCYFXPTALFTA-UHFFFAOYSA-N 0 3 334.460 2.219 20 10 EECDHN Cn1ccnc1[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000796466922 1218472126 /nfs/dbraw/zinc/47/21/26/1218472126.db2.gz XGKOUGYAJRLXRA-LJQANCHMSA-N 0 3 339.487 2.413 20 10 EECDHN COC[C@@H](C)N1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009673268 1223328444 /nfs/dbraw/zinc/32/84/44/1223328444.db2.gz OVBPOYGQBUVLBP-IUODEOHRSA-N 0 3 347.419 2.078 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](C)C2(CO)CCOCC2)c1[O-] ZINC000827907675 1248970441 /nfs/dbraw/zinc/97/04/41/1248970441.db2.gz GFKGXAFEIXEYCA-UHFFFAOYSA-N 0 3 344.249 2.436 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](C)C2(CO)CCOCC2)c1[O-] ZINC000827907675 1248970452 /nfs/dbraw/zinc/97/04/52/1248970452.db2.gz GFKGXAFEIXEYCA-UHFFFAOYSA-N 0 3 344.249 2.436 20 10 EECDHN CC[C@H](C)[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184426 1234072713 /nfs/dbraw/zinc/07/27/13/1234072713.db2.gz CBQDXVNITDRWKM-XKQJLSEDSA-N 0 3 346.475 2.322 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)CN(C3CCC3)C2=O)N(C)C)cc1 ZINC000900185576 1234073974 /nfs/dbraw/zinc/07/39/74/1234073974.db2.gz OUPRWSSCZBOWNS-QGZVFWFLSA-N 0 3 344.459 2.172 20 10 EECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000800537436 1234281198 /nfs/dbraw/zinc/28/11/98/1234281198.db2.gz YVYCUILAKLURHN-INIZCTEOSA-N 0 3 334.460 2.335 20 10 EECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000800537436 1234281202 /nfs/dbraw/zinc/28/12/02/1234281202.db2.gz YVYCUILAKLURHN-INIZCTEOSA-N 0 3 334.460 2.335 20 10 EECDHN CS(=O)(=O)NC1CC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000800890319 1234751681 /nfs/dbraw/zinc/75/16/81/1234751681.db2.gz GGEQABHLWFFSIP-UHFFFAOYSA-N 0 3 346.452 2.229 20 10 EECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c1 ZINC000903198179 1239992765 /nfs/dbraw/zinc/99/27/65/1239992765.db2.gz GQRHLDOZKPFELL-LBPRGKRZSA-N 0 3 329.400 2.491 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1[O-] ZINC000827549963 1248428389 /nfs/dbraw/zinc/42/83/89/1248428389.db2.gz ZGPCJDBFDOCZEY-OAHLLOKOSA-N 0 3 340.851 2.397 20 10 EECDHN COc1ccc(N(C)CCN(C)CCc2nnn(C(C)(C)C)n2)cc1 ZINC000852211152 1292041984 /nfs/dbraw/zinc/04/19/84/1292041984.db2.gz GUCRLDXJFWWKLC-UHFFFAOYSA-N 0 3 346.479 2.047 20 10 EECDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnccc1N ZINC000854230404 1292678987 /nfs/dbraw/zinc/67/89/87/1292678987.db2.gz OUGVCKJSHAIEQD-CQSZACIVSA-N 0 3 326.444 2.306 20 10 EECDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210988 1293445684 /nfs/dbraw/zinc/44/56/84/1293445684.db2.gz VBKYAOGKXKYINQ-LJQANCHMSA-N 0 3 345.487 2.138 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000862551817 1295879853 /nfs/dbraw/zinc/87/98/53/1295879853.db2.gz PXUCVOOHANUYRD-SFHVURJKSA-N 0 3 342.439 2.127 20 10 EECDHN CN(C)[C@H](CNC(=O)CN(C)c1ccc(N)cc1)c1ccccc1 ZINC000863558666 1296336200 /nfs/dbraw/zinc/33/62/00/1296336200.db2.gz SBJFIVSEXIBZKR-GOSISDBHSA-N 0 3 326.444 2.124 20 10 EECDHN Cc1noc(NC(=O)[C@H]2CC23CN(Cc2ccccc2O)C3)c1C ZINC001277441598 1303031468 /nfs/dbraw/zinc/03/14/68/1303031468.db2.gz ORTOSIISAHRGDE-CQSZACIVSA-N 0 3 327.384 2.458 20 10 EECDHN COCCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277445076 1303053274 /nfs/dbraw/zinc/05/32/74/1303053274.db2.gz AQNCIDGORMEBPM-FXAWDEMLSA-N 0 3 346.471 2.489 20 10 EECDHN COCCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277445076 1303053282 /nfs/dbraw/zinc/05/32/82/1303053282.db2.gz AQNCIDGORMEBPM-FXAWDEMLSA-N 0 3 346.471 2.489 20 10 EECDHN COc1cc(CN2CCC(NC(=O)C3CCCC3)CC2)c(O)cc1O ZINC001231635988 1303873631 /nfs/dbraw/zinc/87/36/31/1303873631.db2.gz NKKDLLJUFLCLFN-UHFFFAOYSA-N 0 3 348.443 2.377 20 10 EECDHN CC[N@H+](CCN1CCOCC1)Cc1cc(Cl)cc(OC)c1[O-] ZINC001233290324 1304417896 /nfs/dbraw/zinc/41/78/96/1304417896.db2.gz WWQNDRLDWSNFCX-UHFFFAOYSA-N 0 3 328.840 2.208 20 10 EECDHN CC[N@@H+](CCN1CCOCC1)Cc1cc(Cl)cc(OC)c1[O-] ZINC001233290324 1304417900 /nfs/dbraw/zinc/41/79/00/1304417900.db2.gz WWQNDRLDWSNFCX-UHFFFAOYSA-N 0 3 328.840 2.208 20 10 EECDHN CCN1CCN(c2ccc(O[C@H]3CCCN(C(C)=O)C3)cc2)CC1 ZINC001234657746 1305002288 /nfs/dbraw/zinc/00/22/88/1305002288.db2.gz HFCAZIJFIGXQFA-IBGZPJMESA-N 0 3 331.460 2.218 20 10 EECDHN CCc1ccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c([O-])c1 ZINC001236795193 1305679270 /nfs/dbraw/zinc/67/92/70/1305679270.db2.gz RNXACTFUGGTVBM-UHFFFAOYSA-N 0 3 346.471 2.462 20 10 EECDHN Clc1cc(N2CCOCC2)ccc1CN1CC(N2CCCC2)C1 ZINC001236926412 1305730283 /nfs/dbraw/zinc/73/02/83/1305730283.db2.gz FKESCJZGCVMGAQ-UHFFFAOYSA-N 0 3 335.879 2.457 20 10 EECDHN COc1cc(CN2CCC(Oc3cnccn3)CC2)c(O)c(OC)c1 ZINC001237680943 1306042427 /nfs/dbraw/zinc/04/24/27/1306042427.db2.gz NFLMLJQQQFWVDX-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN COc1cc(CN2CC[C@@H](Oc3nccc(C)n3)C2)c(O)c(OC)c1 ZINC001237684842 1306046766 /nfs/dbraw/zinc/04/67/66/1306046766.db2.gz SIWHHSXWBWHYOB-CQSZACIVSA-N 0 3 345.399 2.161 20 10 EECDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3cc(F)cc(C)c3[O-])CC[C@H]21 ZINC001238061276 1306204150 /nfs/dbraw/zinc/20/41/50/1306204150.db2.gz LCHJBNUNXUJCKN-IAGOWNOFSA-N 0 3 336.407 2.051 20 10 EECDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3cc(F)cc(C)c3[O-])CC[C@H]21 ZINC001238061276 1306204159 /nfs/dbraw/zinc/20/41/59/1306204159.db2.gz LCHJBNUNXUJCKN-IAGOWNOFSA-N 0 3 336.407 2.051 20 10 EECDHN Cc1ccc(O)c(CN2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c1 ZINC001140620812 1314916226 /nfs/dbraw/zinc/91/62/26/1314916226.db2.gz CAFIEXQAWJXDFF-IBGZPJMESA-N 0 3 345.443 2.288 20 10 EECDHN Cc1ccc(O)c(CN2CCC(N3CCCCS3(=O)=O)CC2)c1 ZINC001140624211 1314917037 /nfs/dbraw/zinc/91/70/37/1314917037.db2.gz LCJXTDBNFWCQDQ-UHFFFAOYSA-N 0 3 338.473 2.091 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@](C)(CO)[C@H](O)C3)ccc2O1 ZINC001249224011 1317028042 /nfs/dbraw/zinc/02/80/42/1317028042.db2.gz QTTKOQWVUFZAJI-VQIMIIECSA-N 0 3 333.428 2.142 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@](C)(CO)[C@H](O)C3)ccc2O1 ZINC001249224011 1317028051 /nfs/dbraw/zinc/02/80/51/1317028051.db2.gz QTTKOQWVUFZAJI-VQIMIIECSA-N 0 3 333.428 2.142 20 10 EECDHN COc1ccc(CN2CCC[C@@H](NC(=O)c3ccncc3)C2)c(O)c1 ZINC001203635338 1321929054 /nfs/dbraw/zinc/92/90/54/1321929054.db2.gz PXDLQNXHVKSDQN-MRXNPFEDSA-N 0 3 341.411 2.190 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c([O-])c1 ZINC001203634967 1321929208 /nfs/dbraw/zinc/92/92/08/1321929208.db2.gz DCOHCSXCOWRPCH-OAHLLOKOSA-N 0 3 345.399 2.161 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c([O-])c1 ZINC001203634967 1321929210 /nfs/dbraw/zinc/92/92/10/1321929210.db2.gz DCOHCSXCOWRPCH-OAHLLOKOSA-N 0 3 345.399 2.161 20 10 EECDHN CCc1cccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1O ZINC000848888424 1338792973 /nfs/dbraw/zinc/79/29/73/1338792973.db2.gz UDRMLAZJMZVXPG-UHFFFAOYSA-N 0 3 339.439 2.376 20 10 EECDHN COC[C@@]1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCCCN1 ZINC001578976042 1344325638 /nfs/dbraw/zinc/32/56/38/1344325638.db2.gz YYZNBSHIBHIXKW-OXJNMPFZSA-N 0 3 347.503 2.267 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc(N)c2)N(C)C)cc1 ZINC001355641760 1373168899 /nfs/dbraw/zinc/16/88/99/1373168899.db2.gz YDQHPMVKTHRBCJ-LJQANCHMSA-N 0 3 340.471 2.296 20 10 EECDHN COc1ccc(C[C@H](CO)C[NH2+]Cc2c([O-])cccc2OC)cc1O ZINC000809748992 783356401 /nfs/dbraw/zinc/35/64/01/783356401.db2.gz HXTJWZJSXFQRQL-AWEZNQCLSA-N 0 3 347.411 2.056 20 10 EECDHN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000910951988 787132415 /nfs/dbraw/zinc/13/24/15/787132415.db2.gz NRHFUDPJGCMRDR-MRXNPFEDSA-N 0 3 341.411 2.021 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000825279905 788547625 /nfs/dbraw/zinc/54/76/25/788547625.db2.gz UPQNVIVVQVIQPN-JOYOIKCWSA-N 0 3 327.222 2.207 20 10 EECDHN O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)c1cc(O)c([O-])c(O)c1 ZINC001148590730 792575134 /nfs/dbraw/zinc/57/51/34/792575134.db2.gz NUUMGBSLQHTUBD-AWEZNQCLSA-N 0 3 334.416 2.188 20 10 EECDHN O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1cc(O)c([O-])c(O)c1 ZINC001148590730 792575145 /nfs/dbraw/zinc/57/51/45/792575145.db2.gz NUUMGBSLQHTUBD-AWEZNQCLSA-N 0 3 334.416 2.188 20 10 EECDHN CN(CCN1C(=O)CCC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000917019390 798022818 /nfs/dbraw/zinc/02/28/18/798022818.db2.gz DNNJDJQOTWLSMC-UHFFFAOYSA-N 0 3 329.444 2.258 20 10 EECDHN C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790989404 809014629 /nfs/dbraw/zinc/01/46/29/809014629.db2.gz CRWCANSQWIZNAE-LBPRGKRZSA-N 0 3 329.847 2.300 20 10 EECDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000296470966 465204838 /nfs/dbraw/zinc/20/48/38/465204838.db2.gz PLOGIFZQLBXZJK-MCIONIFRSA-N 0 3 349.450 2.196 20 10 EECDHN COC1CCN(c2ccc(CN(CC(N)=O)C(C)(C)C)cc2)CC1 ZINC000296877310 465236660 /nfs/dbraw/zinc/23/66/60/465236660.db2.gz WPBXDLVEHBZSDE-UHFFFAOYSA-N 0 3 333.476 2.388 20 10 EECDHN CC[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1[O-] ZINC000155560058 462909739 /nfs/dbraw/zinc/90/97/39/462909739.db2.gz FDKVKUWCHFKAJG-DLBZAZTESA-N 0 3 333.476 2.376 20 10 EECDHN CCN1CCN([C@@H]2CCN(Cc3ccc(N(C)C)c(F)c3)C2)CC1 ZINC000119593620 462913754 /nfs/dbraw/zinc/91/37/54/462913754.db2.gz CYOXQFIKFXSJRI-QGZVFWFLSA-N 0 3 334.483 2.104 20 10 EECDHN CCOC1CC(C[NH2+]Cc2cc(C)c(C)cc2[O-])(N2CCOCC2)C1 ZINC000277461511 463917466 /nfs/dbraw/zinc/91/74/66/463917466.db2.gz BEWXQJQGIQDRHX-UHFFFAOYSA-N 0 3 348.487 2.369 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]CCOCC(F)(F)C(F)F)OCO2 ZINC000277498839 463918884 /nfs/dbraw/zinc/91/88/84/463918884.db2.gz OVCYSBOJFKQWHZ-UHFFFAOYSA-N 0 3 325.258 2.128 20 10 EECDHN CN(C)CCOc1ccc(CCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000269273544 463936515 /nfs/dbraw/zinc/93/65/15/463936515.db2.gz UUMKFYDPWDHORD-UHFFFAOYSA-N 0 3 341.455 2.111 20 10 EECDHN CCCOc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000284038405 464072853 /nfs/dbraw/zinc/07/28/53/464072853.db2.gz OOLXDNXHEFIWII-RHSMWYFYSA-N 0 3 325.449 2.429 20 10 EECDHN Fc1cc(CNCc2c[nH]c3nccnc23)ccc1N1CCOCC1 ZINC000290804707 464133264 /nfs/dbraw/zinc/13/32/64/464133264.db2.gz FOSZGGXOHNQZNW-UHFFFAOYSA-N 0 3 341.390 2.223 20 10 EECDHN CCOc1cccc(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1[O-] ZINC000236939915 464241528 /nfs/dbraw/zinc/24/15/28/464241528.db2.gz HGHUENRCAPCVAF-QGZVFWFLSA-N 0 3 335.492 2.153 20 10 EECDHN Cc1ccc(S(=O)(=O)NCCNCc2cccc(C)c2O)cc1 ZINC000181035548 464436161 /nfs/dbraw/zinc/43/61/61/464436161.db2.gz GFJDMHCBPMLKQK-UHFFFAOYSA-N 0 3 334.441 2.077 20 10 EECDHN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc(C)c2[O-])cc1 ZINC000181035548 464436167 /nfs/dbraw/zinc/43/61/67/464436167.db2.gz GFJDMHCBPMLKQK-UHFFFAOYSA-N 0 3 334.441 2.077 20 10 EECDHN COCCOC1(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])CCOCC1 ZINC000294858143 464626841 /nfs/dbraw/zinc/62/68/41/464626841.db2.gz SSNQLXLWKIXHCQ-AWEZNQCLSA-N 0 3 339.432 2.264 20 10 EECDHN Cc1cc([O-])c(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1C ZINC000295113680 464711285 /nfs/dbraw/zinc/71/12/85/464711285.db2.gz MCHLTDHIQQCGOE-HNNXBMFYSA-N 0 3 338.448 2.326 20 10 EECDHN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1C ZINC000295113680 464711289 /nfs/dbraw/zinc/71/12/89/464711289.db2.gz MCHLTDHIQQCGOE-HNNXBMFYSA-N 0 3 338.448 2.326 20 10 EECDHN Cc1cc(O)c(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1C ZINC000295113680 464711291 /nfs/dbraw/zinc/71/12/91/464711291.db2.gz MCHLTDHIQQCGOE-HNNXBMFYSA-N 0 3 338.448 2.326 20 10 EECDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cc1[O-] ZINC000273362557 464712984 /nfs/dbraw/zinc/71/29/84/464712984.db2.gz DFHXPIQPMKNNJD-YPMHNXCESA-N 0 3 343.265 2.262 20 10 EECDHN O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000176236797 464727950 /nfs/dbraw/zinc/72/79/50/464727950.db2.gz IUGCRGDMENDKST-OAHLLOKOSA-N 0 3 346.387 2.178 20 10 EECDHN O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000176236797 464727955 /nfs/dbraw/zinc/72/79/55/464727955.db2.gz IUGCRGDMENDKST-OAHLLOKOSA-N 0 3 346.387 2.178 20 10 EECDHN CS[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1N1CCCC1 ZINC000275352369 464771398 /nfs/dbraw/zinc/77/13/98/464771398.db2.gz ZLGPFGOESPKTBM-UGZTXVKMSA-N 0 3 348.468 2.149 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1OC ZINC000275595393 464780437 /nfs/dbraw/zinc/78/04/37/464780437.db2.gz PZBWLPDVYPGEPI-KBXCAEBGSA-N 0 3 347.415 2.153 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000183374375 464856247 /nfs/dbraw/zinc/85/62/47/464856247.db2.gz RYJJSNNZDXAVAJ-SNVBAGLBSA-N 0 3 327.222 2.160 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000183374375 464856253 /nfs/dbraw/zinc/85/62/53/464856253.db2.gz RYJJSNNZDXAVAJ-SNVBAGLBSA-N 0 3 327.222 2.160 20 10 EECDHN COc1cc(Cl)cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000360341271 465557578 /nfs/dbraw/zinc/55/75/78/465557578.db2.gz DQPOFKNLNFOTRN-LSDHHAIUSA-N 0 3 340.851 2.085 20 10 EECDHN COC(=O)c1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000771852592 577234379 /nfs/dbraw/zinc/23/43/79/577234379.db2.gz IFAQFRJJDWAAEC-UHFFFAOYSA-N 0 3 343.427 2.108 20 10 EECDHN COc1cccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c1[O-] ZINC000769444696 577578011 /nfs/dbraw/zinc/57/80/11/577578011.db2.gz BVASYFZHSDEEIV-UHFFFAOYSA-N 0 3 340.423 2.420 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c1 ZINC000756483805 577844870 /nfs/dbraw/zinc/84/48/70/577844870.db2.gz RGLTVMGOPGNZIQ-AWEZNQCLSA-N 0 3 334.441 2.330 20 10 EECDHN Cc1ccc(O)c([C@H](C)NCCNS(=O)(=O)c2ccccc2)c1 ZINC000756483805 577844871 /nfs/dbraw/zinc/84/48/71/577844871.db2.gz RGLTVMGOPGNZIQ-AWEZNQCLSA-N 0 3 334.441 2.330 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](C)[C@H]3C)CC2)cc1 ZINC000741790611 578124368 /nfs/dbraw/zinc/12/43/68/578124368.db2.gz IYCSKHWKQDLUAB-IAGOWNOFSA-N 0 3 345.487 2.464 20 10 EECDHN CO[C@](C)(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891246239 676238535 /nfs/dbraw/zinc/23/85/35/676238535.db2.gz BCGVPGGLTBSMKS-MJGOQNOKSA-N 0 3 333.476 2.287 20 10 EECDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nc(C)n1 ZINC000891249026 676245133 /nfs/dbraw/zinc/24/51/33/676245133.db2.gz PAPPSNLWWFRKAM-SFHVURJKSA-N 0 3 341.459 2.192 20 10 EECDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC000891250027 676246044 /nfs/dbraw/zinc/24/60/44/676246044.db2.gz XZOKILJFKOQKDK-SFHVURJKSA-N 0 3 326.444 2.489 20 10 EECDHN CN1CCCc2cc(CNC(=O)N3CC[C@H]4[C@H]3CCCN4C)ccc21 ZINC000892491681 681203629 /nfs/dbraw/zinc/20/36/29/681203629.db2.gz FAWNKWUYGPOYHQ-RBUKOAKNSA-N 0 3 342.487 2.447 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)CN2CCOCC2)c1[O-] ZINC000308637611 683330124 /nfs/dbraw/zinc/33/01/24/683330124.db2.gz RJROBDCAWFQUFS-UHFFFAOYSA-N 0 3 328.840 2.255 20 10 EECDHN CCO[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899096005 693600610 /nfs/dbraw/zinc/60/06/10/693600610.db2.gz OJEXIUKYSFWWIW-ROUUACIJSA-N 0 3 348.491 2.176 20 10 EECDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CCN2C2CCCC2)C1 ZINC001270703709 1185330118 /nfs/dbraw/zinc/33/01/18/1185330118.db2.gz QZTONMKGZSHVQF-SOFGYWHQSA-N 0 3 328.412 2.340 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c([O-])c1 ZINC001272626358 1190938060 /nfs/dbraw/zinc/93/80/60/1190938060.db2.gz WPVYRHMZGZCJTK-LJQANCHMSA-N 0 3 332.444 2.481 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@]3(CCN(CC(C)C)C3=O)C2)c([O-])c1 ZINC001272626358 1190938063 /nfs/dbraw/zinc/93/80/63/1190938063.db2.gz WPVYRHMZGZCJTK-LJQANCHMSA-N 0 3 332.444 2.481 20 10 EECDHN CCCOc1ccc(CN[C@H](CC)CNS(C)(=O)=O)cc1C ZINC000873131377 1198508874 /nfs/dbraw/zinc/50/88/74/1198508874.db2.gz OKIJUPOQBMOPKZ-OAHLLOKOSA-N 0 3 328.478 2.201 20 10 EECDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c(Cn3cccn3)c2)[C@H]1OC ZINC000877351898 1199911220 /nfs/dbraw/zinc/91/12/20/1199911220.db2.gz RPEGQHZIIXAMRY-BHIYHBOVSA-N 0 3 345.443 2.222 20 10 EECDHN Cc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)c([O-])c1 ZINC000877556739 1199964474 /nfs/dbraw/zinc/96/44/74/1199964474.db2.gz YOLPJRPBFKFAEN-UHFFFAOYSA-N 0 3 337.217 2.415 20 10 EECDHN CC[C@@H](C)N1CC[C@@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836940 1205180224 /nfs/dbraw/zinc/18/02/24/1205180224.db2.gz PSNGUSMJGUGSDQ-KZULUSFZSA-N 0 3 334.416 2.026 20 10 EECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275908298 1205581015 /nfs/dbraw/zinc/58/10/15/1205581015.db2.gz AJQFSEPIQWLDLO-UHFFFAOYSA-N 0 3 330.407 2.352 20 10 EECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275908298 1205581016 /nfs/dbraw/zinc/58/10/16/1205581016.db2.gz AJQFSEPIQWLDLO-UHFFFAOYSA-N 0 3 330.407 2.352 20 10 EECDHN C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CN1Cc1ccccc1 ZINC000193132851 1210738050 /nfs/dbraw/zinc/73/80/50/1210738050.db2.gz CAASBLIHPPOROT-HIFRSBDPSA-N 0 3 326.396 2.491 20 10 EECDHN CCCN1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)[C@@H]1C ZINC000900186442 1234074181 /nfs/dbraw/zinc/07/41/81/1234074181.db2.gz ZVQIFIYHKXHFRN-YOEHRIQHSA-N 0 3 346.475 2.418 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000903233359 1240060751 /nfs/dbraw/zinc/06/07/51/1240060751.db2.gz HAXGVTMIIGNJHO-OFQRWUPVSA-N 0 3 340.489 2.459 20 10 EECDHN COC(=O)c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)[nH]1 ZINC000827661776 1248622448 /nfs/dbraw/zinc/62/24/48/1248622448.db2.gz FXKBEECILSXEPK-UHFFFAOYSA-N 0 3 343.427 2.052 20 10 EECDHN COc1ccc(N2CCCN(C[C@H](O)c3ccccn3)CC2)cc1 ZINC000851733058 1277734333 /nfs/dbraw/zinc/73/43/33/1277734333.db2.gz ITZHRXSQVZMGAL-IBGZPJMESA-N 0 3 327.428 2.336 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](NC/C=C\Cl)C2)cc1 ZINC001188266131 1279822467 /nfs/dbraw/zinc/82/24/67/1279822467.db2.gz UXRAJQZFLXDDKM-QYNNZRLBSA-N 0 3 335.795 2.406 20 10 EECDHN CC(C)n1cc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC000926852823 1296940522 /nfs/dbraw/zinc/94/05/22/1296940522.db2.gz BIJSMBFOKCGTTK-INIZCTEOSA-N 0 3 342.491 2.462 20 10 EECDHN Cc1ccc(C[NH2+]C23CC(C(=O)Nc4nccn4C)(C2)C3)c([O-])c1 ZINC001277559725 1303908205 /nfs/dbraw/zinc/90/82/05/1303908205.db2.gz HRPGLTMPMLLAOL-UHFFFAOYSA-N 0 3 326.400 2.085 20 10 EECDHN CN1CC[C@H]([N@H+](C)Cc2ccc(I)cc2[O-])C1 ZINC001232978602 1304314998 /nfs/dbraw/zinc/31/49/98/1304314998.db2.gz LIUWBSULBAIYKB-LBPRGKRZSA-N 0 3 346.212 2.133 20 10 EECDHN CN1CC[C@H]([N@@H+](C)Cc2ccc(I)cc2[O-])C1 ZINC001232978602 1304315005 /nfs/dbraw/zinc/31/50/05/1304315005.db2.gz LIUWBSULBAIYKB-LBPRGKRZSA-N 0 3 346.212 2.133 20 10 EECDHN C[C@H]1CC[C@H]([NH3+])CN1Cc1ccc(I)cc1[O-] ZINC001235901564 1305440387 /nfs/dbraw/zinc/44/03/87/1305440387.db2.gz DLLABVALCCVXJK-CABZTGNLSA-N 0 3 346.212 2.308 20 10 EECDHN COc1cc([O-])c(CN2CCN(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC001236804149 1305681528 /nfs/dbraw/zinc/68/15/28/1305681528.db2.gz SKCONRANEFKQBG-UHFFFAOYSA-N 0 3 341.883 2.124 20 10 EECDHN COc1cc(C)c(CN2CCN(c3ccnc(OC)c3)CC2)c(O)c1 ZINC001236812471 1305686645 /nfs/dbraw/zinc/68/66/45/1305686645.db2.gz AIUSILGHNZWIPJ-UHFFFAOYSA-N 0 3 343.427 2.435 20 10 EECDHN Cc1cccc(O)c1CN1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001237481106 1305952974 /nfs/dbraw/zinc/95/29/74/1305952974.db2.gz CFZWJIPTOMYDCN-ZIAGYGMSSA-N 0 3 336.432 2.161 20 10 EECDHN COc1cc(CN2CCC[C@@H](Oc3cnccn3)C2)c(O)c(OC)c1 ZINC001237686425 1306049419 /nfs/dbraw/zinc/04/94/19/1306049419.db2.gz ZCYBUEZVIOUOJS-CQSZACIVSA-N 0 3 345.399 2.243 20 10 EECDHN COC(=O)CO[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138222305 1314578116 /nfs/dbraw/zinc/57/81/16/1314578116.db2.gz RANPTKACZZLSPZ-SFHVURJKSA-N 0 3 332.444 2.441 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC[C@@H](N1CCOCC1)C(F)(F)F ZINC000840946601 1315443119 /nfs/dbraw/zinc/44/31/19/1315443119.db2.gz AUTWMQQIWBQYRA-MRXNPFEDSA-N 0 3 345.409 2.414 20 10 EECDHN Cc1ccc(C)n1-c1ccc(-c2noc(CNC(=O)[C@@H](C)N)n2)cc1 ZINC001249265888 1317037440 /nfs/dbraw/zinc/03/74/40/1317037440.db2.gz WMSQQCFUFSVQBE-CYBMUJFWSA-N 0 3 339.399 2.108 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001249724138 1317158209 /nfs/dbraw/zinc/15/82/09/1317158209.db2.gz FUKLFXQUWRMFTK-OAHLLOKOSA-N 0 3 337.416 2.071 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001249724138 1317158212 /nfs/dbraw/zinc/15/82/12/1317158212.db2.gz FUKLFXQUWRMFTK-OAHLLOKOSA-N 0 3 337.416 2.071 20 10 EECDHN O=C(c1ccccc1)N1CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001258639338 1319315479 /nfs/dbraw/zinc/31/54/79/1319315479.db2.gz YTLXGBDPJUPLCH-UHFFFAOYSA-N 0 3 326.396 2.492 20 10 EECDHN COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(OC)cc3[O-])C2)nc1 ZINC001203634911 1321929453 /nfs/dbraw/zinc/92/94/53/1321929453.db2.gz AZQDXBVQJWLIOX-INIZCTEOSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)nc1 ZINC001203634911 1321929456 /nfs/dbraw/zinc/92/94/56/1321929456.db2.gz AZQDXBVQJWLIOX-INIZCTEOSA-N 0 3 330.384 2.458 20 10 EECDHN Nc1ccc(CNCc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC001335287717 1336360475 /nfs/dbraw/zinc/36/04/75/1336360475.db2.gz ACOAFWZBUWYDBV-UHFFFAOYSA-N 0 3 331.441 2.099 20 10 EECDHN CCOc1ccc(N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)cc1 ZINC001339395744 1336997603 /nfs/dbraw/zinc/99/76/03/1336997603.db2.gz OYYNBAYMVMGODP-LJQANCHMSA-N 0 3 343.471 2.361 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3ncc(C)cn3)C2)c(OC)c1 ZINC001141032406 1372745731 /nfs/dbraw/zinc/74/57/31/1372745731.db2.gz AWXFZRCXECERTD-CYBMUJFWSA-N 0 3 345.399 2.161 20 10 EECDHN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000844980814 789490915 /nfs/dbraw/zinc/49/09/15/789490915.db2.gz PLZGKXVXZCSZPS-OAHLLOKOSA-N 0 3 346.475 2.010 20 10 EECDHN O=C(c1ccccc1)N1CCC[C@@H](NCc2ccc(O)c(O)c2)C1 ZINC001169736768 804023492 /nfs/dbraw/zinc/02/34/92/804023492.db2.gz RMDZWCOVRZTDCM-MRXNPFEDSA-N 0 3 326.396 2.492 20 10 EECDHN COc1ccc2ccc(O)c(CN3CC[C@H](CS(C)(=O)=O)C3)c2c1 ZINC000793699399 810490591 /nfs/dbraw/zinc/49/05/91/810490591.db2.gz POUXJCGLMNEDNC-ZDUSSCGKSA-N 0 3 349.452 2.421 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](CS(C)(=O)=O)C3)c2c1 ZINC000793699399 810490597 /nfs/dbraw/zinc/49/05/97/810490597.db2.gz POUXJCGLMNEDNC-ZDUSSCGKSA-N 0 3 349.452 2.421 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](CS(C)(=O)=O)C3)c2c1 ZINC000793699399 810490603 /nfs/dbraw/zinc/49/06/03/810490603.db2.gz POUXJCGLMNEDNC-ZDUSSCGKSA-N 0 3 349.452 2.421 20 10 EECDHN O=C(c1ccncc1)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000297607556 465263473 /nfs/dbraw/zinc/26/34/73/465263473.db2.gz KLPJEIGQPNUVAG-UHFFFAOYSA-N 0 3 329.375 2.321 20 10 EECDHN COc1ccc(O)c(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000155961835 462964100 /nfs/dbraw/zinc/96/41/00/462964100.db2.gz VUDZDIKNBLPQHB-UHFFFAOYSA-N 0 3 348.443 2.052 20 10 EECDHN CN(C)CCOc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccn1 ZINC000136145980 463222772 /nfs/dbraw/zinc/22/27/72/463222772.db2.gz BUQBUFORTXOWQF-UHFFFAOYSA-N 0 3 342.443 2.018 20 10 EECDHN Cc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000276926167 463808906 /nfs/dbraw/zinc/80/89/06/463808906.db2.gz LRDLONLWYDTMJA-UHFFFAOYSA-N 0 3 340.489 2.383 20 10 EECDHN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000178498452 463911412 /nfs/dbraw/zinc/91/14/12/463911412.db2.gz JZJWOTYSMLVGEX-LSDHHAIUSA-N 0 3 349.450 2.324 20 10 EECDHN NC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCCC1 ZINC000269246391 463925967 /nfs/dbraw/zinc/92/59/67/463925967.db2.gz MKLFQWZNGGSLOD-UHFFFAOYSA-N 0 3 345.487 2.173 20 10 EECDHN CCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1[O-] ZINC000278487373 463967360 /nfs/dbraw/zinc/96/73/60/463967360.db2.gz KRUXQMKKXORMFF-OAHLLOKOSA-N 0 3 330.432 2.283 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1OC ZINC000289869981 464098826 /nfs/dbraw/zinc/09/88/26/464098826.db2.gz VSCPPCSBNJCOPD-NEPJUHHUSA-N 0 3 349.349 2.402 20 10 EECDHN CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000188046507 464188269 /nfs/dbraw/zinc/18/82/69/464188269.db2.gz DWHUKZPIVHGPTA-JTQLQIEISA-N 0 3 329.238 2.420 20 10 EECDHN COc1ccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1C ZINC000284445208 464194444 /nfs/dbraw/zinc/19/44/44/464194444.db2.gz FXMHUWAKOYNPIM-DNVCBOLYSA-N 0 3 342.443 2.189 20 10 EECDHN CCOc1ccc(O)c(CN(C)C[C@H](O)COCCOC(C)C)c1 ZINC000271124206 464282723 /nfs/dbraw/zinc/28/27/23/464282723.db2.gz GUAUCXSWKFOIOO-INIZCTEOSA-N 0 3 341.448 2.025 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1 ZINC000271124206 464282730 /nfs/dbraw/zinc/28/27/30/464282730.db2.gz GUAUCXSWKFOIOO-INIZCTEOSA-N 0 3 341.448 2.025 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1 ZINC000271124206 464282736 /nfs/dbraw/zinc/28/27/36/464282736.db2.gz GUAUCXSWKFOIOO-INIZCTEOSA-N 0 3 341.448 2.025 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c1 ZINC000285532398 464599859 /nfs/dbraw/zinc/59/98/59/464599859.db2.gz CQWKJUCSHLGEHE-LBPRGKRZSA-N 0 3 327.446 2.409 20 10 EECDHN COc1ccc(O)c([C@H](C)NCC2(S(C)(=O)=O)CCCC2)c1 ZINC000285532398 464599865 /nfs/dbraw/zinc/59/98/65/464599865.db2.gz CQWKJUCSHLGEHE-LBPRGKRZSA-N 0 3 327.446 2.409 20 10 EECDHN CN(C)c1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000182683954 464709346 /nfs/dbraw/zinc/70/93/46/464709346.db2.gz LUTLIKPPQWLWQK-ZBFHGGJFSA-N 0 3 328.453 2.337 20 10 EECDHN Cc1ccc([C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(O)c1C ZINC000273467849 464716449 /nfs/dbraw/zinc/71/64/49/464716449.db2.gz JGBCJSMSFGNIBM-XJKSGUPXSA-N 0 3 328.416 2.199 20 10 EECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])[C@@]12CCCO2 ZINC000273700800 464724697 /nfs/dbraw/zinc/72/46/97/464724697.db2.gz DBSREFORJPWGBU-KURKYZTESA-N 0 3 337.416 2.226 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275109029 464764303 /nfs/dbraw/zinc/76/43/03/464764303.db2.gz CEJIXPZWNGALIO-NSHDSACASA-N 0 3 346.349 2.291 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275109029 464764309 /nfs/dbraw/zinc/76/43/09/464764309.db2.gz CEJIXPZWNGALIO-NSHDSACASA-N 0 3 346.349 2.291 20 10 EECDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OCC(N)=O ZINC000183463355 464867738 /nfs/dbraw/zinc/86/77/38/464867738.db2.gz RZRJIZPRXLIURV-LBPRGKRZSA-N 0 3 330.384 2.116 20 10 EECDHN CC[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000366459112 465740342 /nfs/dbraw/zinc/74/03/42/465740342.db2.gz WKERLSNCXCOPGH-HKUYNNGSSA-N 0 3 347.503 2.148 20 10 EECDHN Oc1cc2c(cc1CN1CCC(OC[C@H]3CCOC3)CC1)OCO2 ZINC000368258755 466590842 /nfs/dbraw/zinc/59/08/42/466590842.db2.gz RNNZTNJQZRKUCC-ZDUSSCGKSA-N 0 3 335.400 2.138 20 10 EECDHN OCC1(CNCc2ccc3c(c2)CCN3Cc2ccccc2)COC1 ZINC000375801422 466877540 /nfs/dbraw/zinc/87/75/40/466877540.db2.gz JXVWIXPUQACEPQ-UHFFFAOYSA-N 0 3 338.451 2.348 20 10 EECDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCCNCC3)ccc21 ZINC000572657430 468964982 /nfs/dbraw/zinc/96/49/82/468964982.db2.gz HTKVBKRNSILCLB-UHFFFAOYSA-N 0 3 329.444 2.340 20 10 EECDHN COc1ccc(N2CCC(N[C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000370013541 533998886 /nfs/dbraw/zinc/99/88/86/533998886.db2.gz YVUMSBRGUMTKAK-HNNXBMFYSA-N 0 3 331.460 2.265 20 10 EECDHN CCCOc1ccc(CN2CCC([N@H+](C)CCCO)CC2)c([O-])c1 ZINC000093412920 528662408 /nfs/dbraw/zinc/66/24/08/528662408.db2.gz JEEXOKRFJUWHEI-UHFFFAOYSA-N 0 3 336.476 2.460 20 10 EECDHN CCCOc1ccc(CN2CCC([N@@H+](C)CCCO)CC2)c([O-])c1 ZINC000093412920 528662414 /nfs/dbraw/zinc/66/24/14/528662414.db2.gz JEEXOKRFJUWHEI-UHFFFAOYSA-N 0 3 336.476 2.460 20 10 EECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000776935461 577470082 /nfs/dbraw/zinc/47/00/82/577470082.db2.gz CIBASTBSVJJIBX-CYBMUJFWSA-N 0 3 348.830 2.488 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)C(C)(C)C1)cc2=O ZINC000759920507 577654050 /nfs/dbraw/zinc/65/40/50/577654050.db2.gz FKTBWCGZWRJNOG-LBPRGKRZSA-N 0 3 346.431 2.480 20 10 EECDHN COc1ccc(N2CCC(NC(=O)C3CCN(C)CC3)CC2)cc1 ZINC000742248638 577870062 /nfs/dbraw/zinc/87/00/62/577870062.db2.gz BKELAWCRYNYPLR-UHFFFAOYSA-N 0 3 331.460 2.122 20 10 EECDHN [O-]c1ccccc1CN(Cc1ccco1)C[C@H](O)C[NH+]1CCCC1 ZINC000749299789 577974210 /nfs/dbraw/zinc/97/42/10/577974210.db2.gz ZQVRRSLFPUMOKU-QGZVFWFLSA-N 0 3 330.428 2.444 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2c(Cl)cnn2C)N(C)C)cc1 ZINC000891245217 676238181 /nfs/dbraw/zinc/23/81/81/676238181.db2.gz AFACQXFOJXZHMB-HNNXBMFYSA-N 0 3 349.866 2.172 20 10 EECDHN CC(C)N1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000177439233 681292358 /nfs/dbraw/zinc/29/23/58/681292358.db2.gz PCBFPHRXDPJPEH-YJBOKZPZSA-N 0 3 331.460 2.183 20 10 EECDHN CO[C@H](C)[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894977890 683447814 /nfs/dbraw/zinc/44/78/14/683447814.db2.gz WAFGBWATFRKSFE-CKEIUWERSA-N 0 3 336.480 2.078 20 10 EECDHN CCOCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272387421 1190795777 /nfs/dbraw/zinc/79/57/77/1190795777.db2.gz ZIBRBSGGMWEJDY-IBGZPJMESA-N 0 3 348.443 2.091 20 10 EECDHN COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618229 1190933342 /nfs/dbraw/zinc/93/33/42/1190933342.db2.gz CYZPFOLZQDXJPT-IBGZPJMESA-N 0 3 332.444 2.242 20 10 EECDHN COC(C)(C)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618229 1190933344 /nfs/dbraw/zinc/93/33/44/1190933344.db2.gz CYZPFOLZQDXJPT-IBGZPJMESA-N 0 3 332.444 2.242 20 10 EECDHN COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001272981869 1194290616 /nfs/dbraw/zinc/29/06/16/1194290616.db2.gz AICQZWJJPYEPLF-HZPDHXFCSA-N 0 3 348.443 2.088 20 10 EECDHN COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001272981869 1194290619 /nfs/dbraw/zinc/29/06/19/1194290619.db2.gz AICQZWJJPYEPLF-HZPDHXFCSA-N 0 3 348.443 2.088 20 10 EECDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H](O)C(F)(F)F ZINC000877126908 1199866443 /nfs/dbraw/zinc/86/64/43/1199866443.db2.gz WCBNASHDRQAXAO-CVEARBPZSA-N 0 3 346.393 2.439 20 10 EECDHN CC(C)(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCCC1 ZINC000877493276 1199947724 /nfs/dbraw/zinc/94/77/24/1199947724.db2.gz JLHLFURSNYSHEO-UHFFFAOYSA-N 0 3 345.487 2.138 20 10 EECDHN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000877673867 1200021061 /nfs/dbraw/zinc/02/10/61/1200021061.db2.gz JPSVONHKBWPZJB-IBGZPJMESA-N 0 3 331.460 2.014 20 10 EECDHN O=C(NCC(F)(F)F)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1O ZINC001275267297 1205294405 /nfs/dbraw/zinc/29/44/05/1205294405.db2.gz LPZAMSKPYWJRLQ-BETUJISGSA-N 0 3 343.349 2.313 20 10 EECDHN Cc1cccc(CN2CC3(CN(Cc4cccc(=O)[nH]4)C3)C2)c1O ZINC001276080833 1205764379 /nfs/dbraw/zinc/76/43/79/1205764379.db2.gz WEDLQWKVLNWXRW-UHFFFAOYSA-N 0 3 325.412 2.119 20 10 EECDHN Cc1nnc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000929266139 1206460659 /nfs/dbraw/zinc/46/06/59/1206460659.db2.gz IPCMHINOCJNSGQ-AWEZNQCLSA-N 0 3 348.476 2.337 20 10 EECDHN CCc1noc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000931546367 1207409795 /nfs/dbraw/zinc/40/97/95/1207409795.db2.gz BDGUQUUJPUUQNJ-CQSZACIVSA-N 0 3 346.435 2.122 20 10 EECDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(O)c1O ZINC000189925132 1209368830 /nfs/dbraw/zinc/36/88/30/1209368830.db2.gz YUKNBPNLKFIOEI-BBRMVZONSA-N 0 3 326.396 2.348 20 10 EECDHN CCCC[N@H+](CCCS(=O)(=O)N(C)C)Cc1ccccc1[O-] ZINC000801598525 1235887850 /nfs/dbraw/zinc/88/78/50/1235887850.db2.gz BQZCELDZLSKFIF-UHFFFAOYSA-N 0 3 328.478 2.276 20 10 EECDHN CCCC[N@@H+](CCCS(=O)(=O)N(C)C)Cc1ccccc1[O-] ZINC000801598525 1235887857 /nfs/dbraw/zinc/88/78/57/1235887857.db2.gz BQZCELDZLSKFIF-UHFFFAOYSA-N 0 3 328.478 2.276 20 10 EECDHN CN(C)c1ccc([C@@H](CN[C@@H](C(N)=O)c2ccccc2)N(C)C)cc1 ZINC000901706296 1236188452 /nfs/dbraw/zinc/18/84/52/1236188452.db2.gz KIVQCUXFQMADCB-RTBURBONSA-N 0 3 340.471 2.172 20 10 EECDHN C[C@@H]1[C@H](NC(=O)c2cccc(O)c2O)CCN1Cc1ccccc1 ZINC000383382416 1249527351 /nfs/dbraw/zinc/52/73/51/1249527351.db2.gz BTPOFDJGNYVEGD-CZUORRHYSA-N 0 3 326.396 2.491 20 10 EECDHN COc1cc(Br)cc(CN(C)C[C@@H]2COCCO2)c1O ZINC000827140564 1250252005 /nfs/dbraw/zinc/25/20/05/1250252005.db2.gz LMCRZJQGPAVUNT-GFCCVEGCSA-N 0 3 346.221 2.011 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(OC3CC4(CC[NH2+]4)C3)cccc21 ZINC001218248280 1297615132 /nfs/dbraw/zinc/61/51/32/1297615132.db2.gz IFFAOZZZYVHHPM-UHFFFAOYSA-N 0 3 335.359 2.441 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)cccc21 ZINC001218442169 1297663062 /nfs/dbraw/zinc/66/30/62/1297663062.db2.gz NVXSWCSRSXBLGH-MZJFNTNISA-N 0 3 335.359 2.297 20 10 EECDHN COc1cc(CN2CCC[C@@H](Oc3cc(C)ncn3)C2)c(O)cc1O ZINC001231640006 1303876468 /nfs/dbraw/zinc/87/64/68/1303876468.db2.gz OEWDUCUHCGMMLZ-CQSZACIVSA-N 0 3 345.399 2.248 20 10 EECDHN COc1cc(CN2CCC[C@@H](Oc3nccnc3C)C2)c(O)cc1O ZINC001231639760 1303876755 /nfs/dbraw/zinc/87/67/55/1303876755.db2.gz JEDKDLOZVSVTBI-CQSZACIVSA-N 0 3 345.399 2.248 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC2(CC(=O)N(C)C2)CC1 ZINC001231857640 1303932225 /nfs/dbraw/zinc/93/22/25/1303932225.db2.gz LWXPPATXHRTFSD-UHFFFAOYSA-N 0 3 331.460 2.206 20 10 EECDHN COCCCCN1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231857747 1303932242 /nfs/dbraw/zinc/93/22/42/1303932242.db2.gz OMMGFCOGGQMHOB-UHFFFAOYSA-N 0 3 335.492 2.305 20 10 EECDHN COC(=O)c1c(CN2CCN(C)C(C)(C)C2)c2ccccc2n1C ZINC001232404940 1304108939 /nfs/dbraw/zinc/10/89/39/1304108939.db2.gz BYIZDDAKOMIHIX-UHFFFAOYSA-N 0 3 329.444 2.491 20 10 EECDHN COC(=O)[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)CC12CC2 ZINC001233291310 1304419108 /nfs/dbraw/zinc/41/91/08/1304419108.db2.gz VRNQXLSQEHHJMG-GFCCVEGCSA-N 0 3 325.792 2.439 20 10 EECDHN COCCN1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233736290 1304573419 /nfs/dbraw/zinc/57/34/19/1304573419.db2.gz GIDJTQZRKPRJFQ-UHFFFAOYSA-N 0 3 334.338 2.055 20 10 EECDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1Cl ZINC001235005413 1305083416 /nfs/dbraw/zinc/08/34/16/1305083416.db2.gz HEFZRRLLSVTLFF-ACJLOTCBSA-N 0 3 338.879 2.357 20 10 EECDHN COc1cc([O-])c(CN(C)C[C@@H]2CCC[NH2+]2)cc1Br ZINC001236122217 1305507042 /nfs/dbraw/zinc/50/70/42/1305507042.db2.gz NQXCQZVVDIZIOJ-NSHDSACASA-N 0 3 329.238 2.347 20 10 EECDHN COc1cc(C)c(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001236809459 1305685646 /nfs/dbraw/zinc/68/56/46/1305685646.db2.gz RYXVZRGGJUUWST-YOEHRIQHSA-N 0 3 330.428 2.009 20 10 EECDHN COc1cc(C)c(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001236809459 1305685655 /nfs/dbraw/zinc/68/56/55/1305685655.db2.gz RYXVZRGGJUUWST-YOEHRIQHSA-N 0 3 330.428 2.009 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H]3OCCN(C(C)=O)[C@H]3CC2)c([O-])c1 ZINC001237043077 1305776936 /nfs/dbraw/zinc/77/69/36/1305776936.db2.gz NHHDQGCWSXLITM-PKOBYXMFSA-N 0 3 348.443 2.003 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H]3OCCN(C(C)=O)[C@H]3CC2)c([O-])c1 ZINC001237043077 1305776944 /nfs/dbraw/zinc/77/69/44/1305776944.db2.gz NHHDQGCWSXLITM-PKOBYXMFSA-N 0 3 348.443 2.003 20 10 EECDHN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237060090 1305782009 /nfs/dbraw/zinc/78/20/09/1305782009.db2.gz SYSCDVHPAXONMM-ZDUSSCGKSA-N 0 3 346.349 2.386 20 10 EECDHN COc1cnc(O[C@@H]2CCN(Cc3cc(F)cc(C)c3O)C2)nc1 ZINC001238064323 1306205992 /nfs/dbraw/zinc/20/59/92/1306205992.db2.gz BDJGUGZYVROFQV-CQSZACIVSA-N 0 3 333.363 2.292 20 10 EECDHN CN(Cc1cnn(C)c1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338701 1314602464 /nfs/dbraw/zinc/60/24/64/1314602464.db2.gz UAFPSNBFQFLSIO-UHFFFAOYSA-N 0 3 326.444 2.457 20 10 EECDHN CCN1CCN(c2ccc(CN(C)Cc3ncccn3)cc2)CC1 ZINC001140300743 1314858845 /nfs/dbraw/zinc/85/88/45/1314858845.db2.gz QSZMFNTYYKIHHN-UHFFFAOYSA-N 0 3 325.460 2.251 20 10 EECDHN Cc1ccc(O)c(CN2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c1 ZINC001140620813 1314916120 /nfs/dbraw/zinc/91/61/20/1314916120.db2.gz CAFIEXQAWJXDFF-LJQANCHMSA-N 0 3 345.443 2.288 20 10 EECDHN CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc2c(c1)OCCN2C ZINC001141142720 1315048837 /nfs/dbraw/zinc/04/88/37/1315048837.db2.gz YOOWOYQUQLFJJW-IBGZPJMESA-N 0 3 329.444 2.102 20 10 EECDHN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnc3c(c2)CNCC3)c1 ZINC000841321168 1315529340 /nfs/dbraw/zinc/52/93/40/1315529340.db2.gz BBSJJCXQSGMFGX-LLVKDONJSA-N 0 3 342.399 2.324 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC4(CNC(=O)N4)CC3)ccc2O1 ZINC001249259458 1317035736 /nfs/dbraw/zinc/03/57/36/1317035736.db2.gz ZZAGGSTWXJURIF-UHFFFAOYSA-N 0 3 343.427 2.224 20 10 EECDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2)CC1=O ZINC001254240693 1318022911 /nfs/dbraw/zinc/02/29/11/1318022911.db2.gz IPHPDJMZIKYENY-GFCCVEGCSA-N 0 3 336.388 2.114 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001203623922 1321925759 /nfs/dbraw/zinc/92/57/59/1321925759.db2.gz YERRIOYQGQQYOA-GDBMZVCRSA-N 0 3 340.427 2.149 20 10 EECDHN COc1ccc(C[N@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001203623922 1321925761 /nfs/dbraw/zinc/92/57/61/1321925761.db2.gz YERRIOYQGQQYOA-GDBMZVCRSA-N 0 3 340.427 2.149 20 10 EECDHN COc1cc([O-])c(CN2[C@@H](C)CC[C@H]2C[NH3+])cc1Br ZINC001205083200 1322280476 /nfs/dbraw/zinc/28/04/76/1322280476.db2.gz QIHBTQNBKXWOFK-ONGXEEELSA-N 0 3 329.238 2.475 20 10 EECDHN COCCC1(C)CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001344570459 1337401301 /nfs/dbraw/zinc/40/13/01/1337401301.db2.gz VCEPKWSOOJDPIU-UHFFFAOYSA-N 0 3 335.467 2.436 20 10 EECDHN CCc1cccc(CNCc2cccc(S(=O)(=O)NC)c2)c1O ZINC000848893851 1338796334 /nfs/dbraw/zinc/79/63/34/1338796334.db2.gz IQBKXBNBTNCILC-UHFFFAOYSA-N 0 3 334.441 2.153 20 10 EECDHN COc1cc(O)c(CN[C@H]2CCc3ccccc3NC2=O)cc1OC ZINC000848921593 1338807412 /nfs/dbraw/zinc/80/74/12/1338807412.db2.gz BYDLDACGQLXAEY-HNNXBMFYSA-N 0 3 342.395 2.453 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604055641 1350842147 /nfs/dbraw/zinc/84/21/47/1350842147.db2.gz REGVYQXLSRGQKC-WWGRRREGSA-N 0 3 344.463 2.486 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCC[NH2+]C1 ZINC000843061689 1369920677 /nfs/dbraw/zinc/92/06/77/1369920677.db2.gz AWYDUZTXZYUWPH-GFCCVEGCSA-N 0 3 326.824 2.020 20 10 EECDHN C[C@H](C[S@](C)=O)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000784652341 1371430785 /nfs/dbraw/zinc/43/07/85/1371430785.db2.gz UYHILDSNVQEMFF-ZLOXQWCVSA-N 0 3 339.461 2.442 20 10 EECDHN CC[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130574367 769060824 /nfs/dbraw/zinc/06/08/24/769060824.db2.gz TUAASPILRLAELF-BXUZGUMPSA-N 0 3 327.375 2.110 20 10 EECDHN CCN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920868890 770890761 /nfs/dbraw/zinc/89/07/61/770890761.db2.gz DWQZFWJKVYGRCG-CVEARBPZSA-N 0 3 333.476 2.431 20 10 EECDHN C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@H](C)[N@H+]1CCO ZINC000824925633 788360227 /nfs/dbraw/zinc/36/02/27/788360227.db2.gz BFCOZANMJXGZPV-TXEJJXNPSA-N 0 3 343.265 2.042 20 10 EECDHN C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@H](C)[N@@H+]1CCO ZINC000824925633 788360237 /nfs/dbraw/zinc/36/02/37/788360237.db2.gz BFCOZANMJXGZPV-TXEJJXNPSA-N 0 3 343.265 2.042 20 10 EECDHN CN(C[C@H]1CCN1CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994453 801877747 /nfs/dbraw/zinc/87/77/47/801877747.db2.gz LTMOICLWWSHMBQ-OAHLLOKOSA-N 0 3 329.404 2.405 20 10 EECDHN O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001169732962 804019558 /nfs/dbraw/zinc/01/95/58/804019558.db2.gz WKKFGPUEAAOGLY-INIZCTEOSA-N 0 3 326.396 2.492 20 10 EECDHN CCOC(=O)[C@H](C)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000787442893 807121457 /nfs/dbraw/zinc/12/14/57/807121457.db2.gz XNYPDNGROPEKBX-INIZCTEOSA-N 0 3 345.487 2.354 20 10 EECDHN CNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808675280 812808069 /nfs/dbraw/zinc/80/80/69/812808069.db2.gz BJGPGXOGTFXXCR-GFCCVEGCSA-N 0 3 339.867 2.215 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOCCS(C)(=O)=O)c1[O-] ZINC000808707131 812814618 /nfs/dbraw/zinc/81/46/18/812814618.db2.gz DXWWZUUUIIMYQJ-NSHDSACASA-N 0 3 335.853 2.066 20 10 EECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)CC2 ZINC000296636196 465228263 /nfs/dbraw/zinc/22/82/63/465228263.db2.gz BSHCFZHSZARNSY-GXTWGEPZSA-N 0 3 330.350 2.232 20 10 EECDHN Cc1cc(C(=O)NC[C@@](C)(O)CN(C)C)c(C)n1-c1ccc(F)cc1 ZINC000153247340 462630242 /nfs/dbraw/zinc/63/02/42/462630242.db2.gz JZTFGRUZILNVMN-LJQANCHMSA-N 0 3 347.434 2.276 20 10 EECDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H](C)C(=O)N(C)C ZINC000076118428 462811335 /nfs/dbraw/zinc/81/13/35/462811335.db2.gz BFEDMLKCNTZWNA-SNVBAGLBSA-N 0 3 329.238 2.453 20 10 EECDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H](C)C(=O)N(C)C ZINC000076118428 462811340 /nfs/dbraw/zinc/81/13/40/462811340.db2.gz BFEDMLKCNTZWNA-SNVBAGLBSA-N 0 3 329.238 2.453 20 10 EECDHN CCC[C@](C)(N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269234255 463919927 /nfs/dbraw/zinc/91/99/27/463919927.db2.gz FRQBZERPOPNIMZ-IBGZPJMESA-N 0 3 333.476 2.029 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1OC ZINC000289869990 464098766 /nfs/dbraw/zinc/09/87/66/464098766.db2.gz VSCPPCSBNJCOPD-VXGBXAGGSA-N 0 3 349.349 2.402 20 10 EECDHN CC[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000280075643 464185785 /nfs/dbraw/zinc/18/57/85/464185785.db2.gz LJNHMXBIKMWHQC-DZGCQCFKSA-N 0 3 326.462 2.165 20 10 EECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293720250 464418711 /nfs/dbraw/zinc/41/87/11/464418711.db2.gz MKICKYWUFKLAME-CQSZACIVSA-N 0 3 328.478 2.331 20 10 EECDHN C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000285499320 464585502 /nfs/dbraw/zinc/58/55/02/464585502.db2.gz AGBADUIMCYAYCB-YGRLFVJLSA-N 0 3 336.329 2.445 20 10 EECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c1 ZINC000285532393 464599830 /nfs/dbraw/zinc/59/98/30/464599830.db2.gz CQWKJUCSHLGEHE-GFCCVEGCSA-N 0 3 327.446 2.409 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCC2(S(C)(=O)=O)CCCC2)c1 ZINC000285532393 464599835 /nfs/dbraw/zinc/59/98/35/464599835.db2.gz CQWKJUCSHLGEHE-GFCCVEGCSA-N 0 3 327.446 2.409 20 10 EECDHN CCOc1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1[O-] ZINC000295099310 464704807 /nfs/dbraw/zinc/70/48/07/464704807.db2.gz KHVSFRWBQLSRTM-UHFFFAOYSA-N 0 3 341.473 2.484 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1C ZINC000273598018 464722140 /nfs/dbraw/zinc/72/21/40/464722140.db2.gz RBYWLYOECPCSPM-KGLIPLIRSA-N 0 3 326.462 2.084 20 10 EECDHN CC[C@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccccc1[O-] ZINC000183326867 464850763 /nfs/dbraw/zinc/85/07/63/464850763.db2.gz XCCPUOUTSVRIKH-GJZGRUSLSA-N 0 3 328.416 2.280 20 10 EECDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000268144666 464952316 /nfs/dbraw/zinc/95/23/16/464952316.db2.gz UVRVZMXSVGHNBJ-MLGOLLRUSA-N 0 3 334.439 2.174 20 10 EECDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000184288214 464962400 /nfs/dbraw/zinc/96/24/00/464962400.db2.gz NNTXULMHEQKIIS-IFMYKAFSSA-N 0 3 328.453 2.080 20 10 EECDHN CC[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccccc1[O-] ZINC000364363748 466696371 /nfs/dbraw/zinc/69/63/71/466696371.db2.gz ORPNFHXWGXOXFU-IAISJRAMSA-N 0 3 331.416 2.153 20 10 EECDHN CC(C)[C@H](C)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256991 577433836 /nfs/dbraw/zinc/43/38/36/577433836.db2.gz CFNUUCUBCPKPBA-JKSUJKDBSA-N 0 3 333.476 2.335 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@](O)(c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000776767579 577467500 /nfs/dbraw/zinc/46/75/00/577467500.db2.gz DFMDWHLXDUVNOT-HKUYNNGSSA-N 0 3 345.370 2.051 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@](O)(c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000776767579 577467501 /nfs/dbraw/zinc/46/75/01/577467501.db2.gz DFMDWHLXDUVNOT-HKUYNNGSSA-N 0 3 345.370 2.051 20 10 EECDHN C[C@@H](NC[C@H]1COCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000765251235 577497873 /nfs/dbraw/zinc/49/78/73/577497873.db2.gz NNYIQOKOTSDZPH-HIFRSBDPSA-N 0 3 340.851 2.243 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000769463048 577578382 /nfs/dbraw/zinc/57/83/82/577578382.db2.gz LQOIKBCVVJSUHD-GFCCVEGCSA-N 0 3 344.371 2.390 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000769463048 577578383 /nfs/dbraw/zinc/57/83/83/577578383.db2.gz LQOIKBCVVJSUHD-GFCCVEGCSA-N 0 3 344.371 2.390 20 10 EECDHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC12CC2 ZINC000763731288 577725437 /nfs/dbraw/zinc/72/54/37/577725437.db2.gz VAMIKEQLAPLHRT-HZPDHXFCSA-N 0 3 331.412 2.469 20 10 EECDHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC12CC2 ZINC000763731288 577725438 /nfs/dbraw/zinc/72/54/38/577725438.db2.gz VAMIKEQLAPLHRT-HZPDHXFCSA-N 0 3 331.412 2.469 20 10 EECDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000752482432 577771597 /nfs/dbraw/zinc/77/15/97/577771597.db2.gz QXTPVRSXDCCMQX-HXUWFJFHSA-N 0 3 343.471 2.445 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3[C@H](C)CC[C@@H]3C)CC2)cc1F ZINC000753741258 577792583 /nfs/dbraw/zinc/79/25/83/577792583.db2.gz FQMBIXRBGQMUGV-GASCZTMLSA-N 0 3 349.450 2.356 20 10 EECDHN CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000747815732 577950606 /nfs/dbraw/zinc/95/06/06/577950606.db2.gz MKJZWYNVTMQAME-JKSUJKDBSA-N 0 3 333.476 2.429 20 10 EECDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCCO1 ZINC000891242366 676231902 /nfs/dbraw/zinc/23/19/02/676231902.db2.gz FRIDTVLKDIUXSJ-JCGIZDLHSA-N 0 3 333.476 2.287 20 10 EECDHN CC(C)C1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)COC1 ZINC000891243113 676233719 /nfs/dbraw/zinc/23/37/19/676233719.db2.gz IATQKYUVMUKVBT-KRWDZBQOSA-N 0 3 333.476 2.144 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cncc2F)N(C)C)cc1 ZINC000891246848 676240385 /nfs/dbraw/zinc/24/03/85/676240385.db2.gz QJESOLQRLXTJME-MRXNPFEDSA-N 0 3 348.397 2.459 20 10 EECDHN CCOc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891246614 676240594 /nfs/dbraw/zinc/24/05/94/676240594.db2.gz CGTDXOQHODIXRQ-OAHLLOKOSA-N 0 3 346.431 2.172 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ncc(F)cc2F)N(C)C)cc1 ZINC000891248026 676243070 /nfs/dbraw/zinc/24/30/70/676243070.db2.gz KGJYGQIXVWHDHA-INIZCTEOSA-N 0 3 348.397 2.459 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CSC(F)F)N(C)C)cc1 ZINC000891250734 676246923 /nfs/dbraw/zinc/24/69/23/676246923.db2.gz ZPCOUZUCJPUENJ-CYBMUJFWSA-N 0 3 331.432 2.427 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(CO)cc2)N(C)C)cc1 ZINC000891258591 676253324 /nfs/dbraw/zinc/25/33/24/676253324.db2.gz VTFJNFSQQFUNFW-IBGZPJMESA-N 0 3 341.455 2.278 20 10 EECDHN CO[C@@H]1CCC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895188780 684259811 /nfs/dbraw/zinc/25/98/11/684259811.db2.gz RIISCTHKCRYOQI-KZNAEPCWSA-N 0 3 348.491 2.222 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=S)NCC(F)(F)F)N(C)C)cc1 ZINC000899724633 693847117 /nfs/dbraw/zinc/84/71/17/693847117.db2.gz NWBJJLPQYOZWMW-ZDUSSCGKSA-N 0 3 348.438 2.382 20 10 EECDHN COC[C@H](C)N1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989761206 692266634 /nfs/dbraw/zinc/26/66/34/692266634.db2.gz XQGCRCDGUGDXSK-ZDUSSCGKSA-N 0 3 347.419 2.032 20 10 EECDHN CC[C@@]1(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOC1 ZINC000899102124 693606320 /nfs/dbraw/zinc/60/63/20/693606320.db2.gz KFZLYOUQCQFZMX-PKOBYXMFSA-N 0 3 348.491 2.224 20 10 EECDHN CO[C@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899105202 693608331 /nfs/dbraw/zinc/60/83/31/693608331.db2.gz VGPKTHDSOOMZMR-ZWKOTPCHSA-N 0 3 348.491 2.176 20 10 EECDHN COCCCN1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619044 1190933890 /nfs/dbraw/zinc/93/38/90/1190933890.db2.gz QUPYIVVRAFKYBK-UHFFFAOYSA-N 0 3 332.444 2.243 20 10 EECDHN O=C1CO[C@]2(CCN(Cc3cc(F)ccc3O)C2)CN1C1CCCC1 ZINC001273284431 1197953203 /nfs/dbraw/zinc/95/32/03/1197953203.db2.gz IKWZUQRUAVRYQI-IBGZPJMESA-N 0 3 348.418 2.277 20 10 EECDHN O=C1CO[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)CN1C1CCCC1 ZINC001273284431 1197953209 /nfs/dbraw/zinc/95/32/09/1197953209.db2.gz IKWZUQRUAVRYQI-IBGZPJMESA-N 0 3 348.418 2.277 20 10 EECDHN O=C1CO[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)CN1C1CCCC1 ZINC001273284431 1197953213 /nfs/dbraw/zinc/95/32/13/1197953213.db2.gz IKWZUQRUAVRYQI-IBGZPJMESA-N 0 3 348.418 2.277 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1ccccc1[O-] ZINC000879648649 1201193648 /nfs/dbraw/zinc/19/36/48/1201193648.db2.gz XMUIYFBINBUVGN-CYBMUJFWSA-N 0 3 332.375 2.377 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c([O-])c1 ZINC000883370449 1202054583 /nfs/dbraw/zinc/05/45/83/1202054583.db2.gz LNZXQWVYMXQRKW-MSOLQXFVSA-N 0 3 347.503 2.148 20 10 EECDHN CNC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001274122560 1204386801 /nfs/dbraw/zinc/38/68/01/1204386801.db2.gz OCNCCDMMKGFAMM-CYBMUJFWSA-N 0 3 338.835 2.402 20 10 EECDHN CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001274122560 1204386804 /nfs/dbraw/zinc/38/68/04/1204386804.db2.gz OCNCCDMMKGFAMM-CYBMUJFWSA-N 0 3 338.835 2.402 20 10 EECDHN NC(=O)CC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092660291 1214577895 /nfs/dbraw/zinc/57/78/95/1214577895.db2.gz PAOBQWWBJWLORE-HNNXBMFYSA-N 0 3 349.450 2.140 20 10 EECDHN CC(C)[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nncn1C ZINC000796455561 1218281250 /nfs/dbraw/zinc/28/12/50/1218281250.db2.gz YNXOYLIMMYSYHP-GOSISDBHSA-N 0 3 342.491 2.054 20 10 EECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000796468117 1218461314 /nfs/dbraw/zinc/46/13/14/1218461314.db2.gz FZXYKKRIKHROKX-CQSZACIVSA-N 0 3 333.432 2.171 20 10 EECDHN CCC[C@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184361 1234072856 /nfs/dbraw/zinc/07/28/56/1234072856.db2.gz AFOILHSNFUGRLT-HZPDHXFCSA-N 0 3 332.448 2.076 20 10 EECDHN COCCCN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001198309343 1285110488 /nfs/dbraw/zinc/11/04/88/1285110488.db2.gz DFAREGSFTAWUIU-UHFFFAOYSA-N 0 3 347.419 2.033 20 10 EECDHN CC(C)(C)c1cc([O-])c(CN2CCN[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235065731 1305103550 /nfs/dbraw/zinc/10/35/50/1305103550.db2.gz YEZYKTJVZYCVMU-SFHVURJKSA-N 0 3 337.895 2.480 20 10 EECDHN Cc1cc(C(=O)Nc2nn(C)c(C)c2CN)c(C)n1-c1ccccn1 ZINC000852900287 1292227334 /nfs/dbraw/zinc/22/73/34/1292227334.db2.gz UAUVXAZPRJBUHH-UHFFFAOYSA-N 0 3 338.415 2.242 20 10 EECDHN O[C@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000853107384 1292284077 /nfs/dbraw/zinc/28/40/77/1292284077.db2.gz ROTLYEXSBWWAIZ-QGZVFWFLSA-N 0 3 349.381 2.020 20 10 EECDHN Cc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000862023341 1295656925 /nfs/dbraw/zinc/65/69/25/1295656925.db2.gz ALDWNXQEBPACRB-UHFFFAOYSA-N 0 3 341.411 2.017 20 10 EECDHN CCOC(=O)c1cc(N)cc(NC(=O)C[C@@H]([NH3+])c2ccccc2[O-])c1 ZINC001219524221 1298047085 /nfs/dbraw/zinc/04/70/85/1298047085.db2.gz FCFCGSBTNVWNFM-OAHLLOKOSA-N 0 3 343.383 2.180 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC2(CCC(=O)N2C)CC1 ZINC001231858623 1303932737 /nfs/dbraw/zinc/93/27/37/1303932737.db2.gz XHOINVNQXWSMGC-UHFFFAOYSA-N 0 3 331.460 2.348 20 10 EECDHN Cc1cccnc1N1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232835065 1304264396 /nfs/dbraw/zinc/26/43/96/1304264396.db2.gz UHBSKRJBSKMABL-UHFFFAOYSA-N 0 3 326.444 2.484 20 10 EECDHN COc1ccccc1O[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485477 1304478464 /nfs/dbraw/zinc/47/84/64/1304478464.db2.gz XERPTVKPKUZHST-ZDUSSCGKSA-N 0 3 331.368 2.465 20 10 EECDHN O=C(NC1CCN(Cc2cc(O)c(O)cc2O)CC1)C1CCCCC1 ZINC001233487350 1304478531 /nfs/dbraw/zinc/47/85/31/1304478531.db2.gz ZUGCZEXSIFGILO-UHFFFAOYSA-N 0 3 348.443 2.464 20 10 EECDHN CC[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000796766109 1304575620 /nfs/dbraw/zinc/57/56/20/1304575620.db2.gz SQXDJDDLKRWRPS-XJKSGUPXSA-N 0 3 337.439 2.159 20 10 EECDHN COC(=O)[C@@H]1CNCCN1Cc1cccc(-c2ccccc2)c1O ZINC001236056761 1305487599 /nfs/dbraw/zinc/48/75/99/1305487599.db2.gz PWOLINXUBLWMKB-KRWDZBQOSA-N 0 3 326.396 2.006 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)c([O-])c1 ZINC001236786500 1305675635 /nfs/dbraw/zinc/67/56/35/1305675635.db2.gz FOBYTTWXAMXGBI-QRQLOZEOSA-N 0 3 344.455 2.213 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)c([O-])c1 ZINC001236786500 1305675647 /nfs/dbraw/zinc/67/56/47/1305675647.db2.gz FOBYTTWXAMXGBI-QRQLOZEOSA-N 0 3 344.455 2.213 20 10 EECDHN CCC1=NC2(CC[NH+](Cc3c(C)cc(OC)cc3[O-])CC2)C(=O)N1C ZINC001236812989 1305687521 /nfs/dbraw/zinc/68/75/21/1305687521.db2.gz DFJOJMUOBKYUNB-UHFFFAOYSA-N 0 3 345.443 2.324 20 10 EECDHN COc1cc(C)c(CN2CCC[C@H](NC(=O)NC(C)C)C2)c(O)c1 ZINC001236815815 1305688195 /nfs/dbraw/zinc/68/81/95/1305688195.db2.gz OYQVJCFWOBLDHJ-AWEZNQCLSA-N 0 3 335.448 2.381 20 10 EECDHN CC1(C(N)=O)CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237057320 1305781164 /nfs/dbraw/zinc/78/11/64/1305781164.db2.gz QTXISLWWDWDLIF-UHFFFAOYSA-N 0 3 346.349 2.421 20 10 EECDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209623 1305848432 /nfs/dbraw/zinc/84/84/32/1305848432.db2.gz JQJYGAVAZXKOSQ-HZPDHXFCSA-N 0 3 336.501 2.399 20 10 EECDHN COc1cc(CN2CCC[C@@H](c3noc(C)n3)C2)c(O)c(OC)c1 ZINC001237675419 1306040325 /nfs/dbraw/zinc/04/03/25/1306040325.db2.gz XHCFBZVWINQTCL-GFCCVEGCSA-N 0 3 333.388 2.480 20 10 EECDHN COc1ccnc(O[C@H]2CCN(Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238065852 1306206439 /nfs/dbraw/zinc/20/64/39/1306206439.db2.gz FSCONBZQKCEPBY-AWEZNQCLSA-N 0 3 333.363 2.292 20 10 EECDHN COc1ccc(CN[C@@H](C)C(=O)N2CCCC[C@@H]2C)c(O)c1OC ZINC001120027923 1309287881 /nfs/dbraw/zinc/28/78/81/1309287881.db2.gz VDYOAMPNSCLEHT-STQMWFEESA-N 0 3 336.432 2.289 20 10 EECDHN CCOC(=O)CN(CC)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140305823 1314863555 /nfs/dbraw/zinc/86/35/55/1314863555.db2.gz HSEVPQURZMOUNG-UHFFFAOYSA-N 0 3 333.476 2.214 20 10 EECDHN Cc1ccc(O)c(CN2CCC[C@@H](NC(=O)c3ccccn3)C2)c1 ZINC001140624087 1314916811 /nfs/dbraw/zinc/91/68/11/1314916811.db2.gz FRVUXEWVMNRLOL-MRXNPFEDSA-N 0 3 325.412 2.490 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1[O-] ZINC000841747124 1315608054 /nfs/dbraw/zinc/60/80/54/1315608054.db2.gz OCLTZNQCIMBGHH-OLZOCXBDSA-N 0 3 339.867 2.284 20 10 EECDHN COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843435651 1315915128 /nfs/dbraw/zinc/91/51/28/1315915128.db2.gz XANRCRZKCCCZQI-MSOLQXFVSA-N 0 3 341.407 2.415 20 10 EECDHN COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843435651 1315915129 /nfs/dbraw/zinc/91/51/29/1315915129.db2.gz XANRCRZKCCCZQI-MSOLQXFVSA-N 0 3 341.407 2.415 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c([O-])c1 ZINC001249214236 1317024698 /nfs/dbraw/zinc/02/46/98/1317024698.db2.gz ITFMDJZOHVLKAJ-INIZCTEOSA-N 0 3 342.395 2.156 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c([O-])c1 ZINC001249214236 1317024705 /nfs/dbraw/zinc/02/47/05/1317024705.db2.gz ITFMDJZOHVLKAJ-INIZCTEOSA-N 0 3 342.395 2.156 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001249726375 1317160147 /nfs/dbraw/zinc/16/01/47/1317160147.db2.gz QTGCEYJYLVEOFW-OAHLLOKOSA-N 0 3 337.416 2.071 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001249726375 1317160151 /nfs/dbraw/zinc/16/01/51/1317160151.db2.gz QTGCEYJYLVEOFW-OAHLLOKOSA-N 0 3 337.416 2.071 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253637197 1317900904 /nfs/dbraw/zinc/90/09/04/1317900904.db2.gz YVGKHCUMADODMN-IBGZPJMESA-N 0 3 329.396 2.318 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253637197 1317900910 /nfs/dbraw/zinc/90/09/10/1317900910.db2.gz YVGKHCUMADODMN-IBGZPJMESA-N 0 3 329.396 2.318 20 10 EECDHN Oc1cc2c(cc1O)CN(C1CCN(c3ncccn3)CC1)CCC2 ZINC001256062742 1318630715 /nfs/dbraw/zinc/63/07/15/1318630715.db2.gz BGHSGXGTGXKBJN-UHFFFAOYSA-N 0 3 340.427 2.305 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c([O-])c1 ZINC001203622742 1321924826 /nfs/dbraw/zinc/92/48/26/1321924826.db2.gz BDRNEXKVVWKMBH-QKDCVEJESA-N 0 3 330.428 2.137 20 10 EECDHN COc1ccc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c([O-])c1 ZINC001203622742 1321924828 /nfs/dbraw/zinc/92/48/28/1321924828.db2.gz BDRNEXKVVWKMBH-QKDCVEJESA-N 0 3 330.428 2.137 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c([O-])c1 ZINC001203623982 1321925975 /nfs/dbraw/zinc/92/59/75/1321925975.db2.gz ZWJQHIXYTCIWNJ-YJBOKZPZSA-N 0 3 338.407 2.496 20 10 EECDHN COc1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c([O-])c1 ZINC001203623982 1321925978 /nfs/dbraw/zinc/92/59/78/1321925978.db2.gz ZWJQHIXYTCIWNJ-YJBOKZPZSA-N 0 3 338.407 2.496 20 10 EECDHN Oc1cc2c(cc1CN1CCOC(C3CC3)(C3CC3)C1)[C@@H](O)CO2 ZINC000853583033 1369354672 /nfs/dbraw/zinc/35/46/72/1369354672.db2.gz OAXXQLCQWKDVDS-KRWDZBQOSA-N 0 3 331.412 2.209 20 10 EECDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CNCCO1 ZINC001579655653 1403785936 /nfs/dbraw/zinc/78/59/36/1403785936.db2.gz HBGLUACJYKTWHV-MRXNPFEDSA-N 0 3 327.428 2.121 20 10 EECDHN N[C@@H](CC(F)F)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001580122675 1403829811 /nfs/dbraw/zinc/82/98/11/1403829811.db2.gz ZVUOUUBXOJVFGK-JTQLQIEISA-N 0 3 331.326 2.317 20 10 EECDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)n1-c1cc(C)cc(C)c1 ZINC000818013006 785173625 /nfs/dbraw/zinc/17/36/25/785173625.db2.gz ZVWXLKWLLAVHRS-SFHVURJKSA-N 0 3 341.455 2.429 20 10 EECDHN CN(C)CCn1nccc1NC(=O)NCc1cc(Cl)ccc1O ZINC000844687886 789293863 /nfs/dbraw/zinc/29/38/63/789293863.db2.gz JRVODRDJJZMCSY-UHFFFAOYSA-N 0 3 337.811 2.125 20 10 EECDHN O=C1[C@@H](NCc2cc3c(cc2O)OCO3)CCN1C1CCCCC1 ZINC000131666881 795145257 /nfs/dbraw/zinc/14/52/57/795145257.db2.gz NGOZWHCOIVNKGU-AWEZNQCLSA-N 0 3 332.400 2.144 20 10 EECDHN O=C(CCc1ccc(O)c(O)c1)NCCc1c[nH]c2ccncc12 ZINC001182157512 801046072 /nfs/dbraw/zinc/04/60/72/801046072.db2.gz SIPOZHKHTRGONO-UHFFFAOYSA-N 0 3 325.368 2.266 20 10 EECDHN COc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)c(O)c1 ZINC000793081836 810130595 /nfs/dbraw/zinc/13/05/95/810130595.db2.gz OYVUSIHLIHBSMK-OAHLLOKOSA-N 0 3 333.432 2.217 20 10 EECDHN CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808716778 812820093 /nfs/dbraw/zinc/82/00/93/812820093.db2.gz VQQFWFTXJSCXMP-JSGCOSHPSA-N 0 3 331.840 2.419 20 10 EECDHN CC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000155507270 462901423 /nfs/dbraw/zinc/90/14/23/462901423.db2.gz FQPDLGDKXWDTKN-HNNXBMFYSA-N 0 3 326.462 2.105 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000092011560 462919121 /nfs/dbraw/zinc/91/91/21/462919121.db2.gz PSYCKZAAUFUNTR-RHSMWYFYSA-N 0 3 331.416 2.080 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000092011560 462919126 /nfs/dbraw/zinc/91/91/26/462919126.db2.gz PSYCKZAAUFUNTR-RHSMWYFYSA-N 0 3 331.416 2.080 20 10 EECDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092456212 462953293 /nfs/dbraw/zinc/95/32/93/462953293.db2.gz MVAVJFVHZLFUQY-QGZVFWFLSA-N 0 3 332.444 2.298 20 10 EECDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(C)c1 ZINC000268807667 463792013 /nfs/dbraw/zinc/79/20/13/463792013.db2.gz CXEUSRHHXDWLDD-HNNXBMFYSA-N 0 3 328.460 2.480 20 10 EECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185345202 463806458 /nfs/dbraw/zinc/80/64/58/463806458.db2.gz IZFHGCLBFDXUGD-JKSUJKDBSA-N 0 3 335.492 2.325 20 10 EECDHN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000185953187 463912036 /nfs/dbraw/zinc/91/20/36/463912036.db2.gz HRTCJIYRMDRLOA-CYBMUJFWSA-N 0 3 344.411 2.490 20 10 EECDHN COc1cc([O-])c(C[NH2+]CCOCC(F)(F)C(F)F)cc1OC ZINC000278349543 463963441 /nfs/dbraw/zinc/96/34/41/463963441.db2.gz IKMDLEUWQBCUSQ-UHFFFAOYSA-N 0 3 341.301 2.416 20 10 EECDHN COc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000263709936 464162378 /nfs/dbraw/zinc/16/23/78/464162378.db2.gz UDKWPVXEHIOLAY-INIZCTEOSA-N 0 3 326.396 2.292 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000179859741 464201137 /nfs/dbraw/zinc/20/11/37/464201137.db2.gz ZBIUAWSJNQONGS-INMHGKMJSA-N 0 3 334.460 2.474 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000179859741 464201140 /nfs/dbraw/zinc/20/11/40/464201140.db2.gz ZBIUAWSJNQONGS-INMHGKMJSA-N 0 3 334.460 2.474 20 10 EECDHN COc1cccc(CNC(=O)NC[C@H](C)N2CCC(C)CC2)c1O ZINC000174387808 464403065 /nfs/dbraw/zinc/40/30/65/464403065.db2.gz CEVSQOFJMULPHF-AWEZNQCLSA-N 0 3 335.448 2.320 20 10 EECDHN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293712518 464418292 /nfs/dbraw/zinc/41/82/92/464418292.db2.gz MAJHZKHBXLSRCI-AWEZNQCLSA-N 0 3 340.489 2.474 20 10 EECDHN COCCOC1(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])CCOCC1 ZINC000294858146 464627001 /nfs/dbraw/zinc/62/70/01/464627001.db2.gz SSNQLXLWKIXHCQ-CQSZACIVSA-N 0 3 339.432 2.264 20 10 EECDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000267438625 464932184 /nfs/dbraw/zinc/93/21/84/464932184.db2.gz BSEWHWSCHZNFKA-VQFGERMISA-N 0 3 343.471 2.089 20 10 EECDHN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(C)ccc3[O-])CC2)no1 ZINC000371415751 465780570 /nfs/dbraw/zinc/78/05/70/465780570.db2.gz GDQWREGWVRJLBW-UHFFFAOYSA-N 0 3 329.400 2.391 20 10 EECDHN Oc1cc2c(cc1CN1CCC(OC[C@@H]3CCCO3)CC1)OCO2 ZINC000364303837 466692982 /nfs/dbraw/zinc/69/29/82/466692982.db2.gz OZICILAMDDZACO-HNNXBMFYSA-N 0 3 335.400 2.281 20 10 EECDHN [O-]c1ccccc1C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000377786412 467140145 /nfs/dbraw/zinc/14/01/45/467140145.db2.gz UVZPCWWLHYZTJD-RTBURBONSA-N 0 3 326.440 2.365 20 10 EECDHN Cc1c2ccccc2n(C)c1CNC[C@@H](O)COC1CCOCC1 ZINC000569804351 468545155 /nfs/dbraw/zinc/54/51/55/468545155.db2.gz PBVOYLRQUYRZIJ-OAHLLOKOSA-N 0 3 332.444 2.133 20 10 EECDHN CCN1CCN(C[C@H](C)C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113335764 529148343 /nfs/dbraw/zinc/14/83/43/529148343.db2.gz LVPBEVLPPWFPSS-CQSZACIVSA-N 0 3 325.884 2.409 20 10 EECDHN COC[C@@](C)(O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732672683 577187891 /nfs/dbraw/zinc/18/78/91/577187891.db2.gz WMZPTAYGIDZGQM-KRWDZBQOSA-N 0 3 337.420 2.072 20 10 EECDHN CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000734557783 577307448 /nfs/dbraw/zinc/30/74/48/577307448.db2.gz JFWWOHYXDUAZKS-OCCSQVGLSA-N 0 3 326.462 2.321 20 10 EECDHN CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000734557783 577307449 /nfs/dbraw/zinc/30/74/49/577307449.db2.gz JFWWOHYXDUAZKS-OCCSQVGLSA-N 0 3 326.462 2.321 20 10 EECDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000775131316 577430706 /nfs/dbraw/zinc/43/07/06/577430706.db2.gz VKCLURNRECUUPN-QWHCGFSZSA-N 0 3 331.368 2.211 20 10 EECDHN COc1coc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1=O ZINC000775254000 577433708 /nfs/dbraw/zinc/43/37/08/577433708.db2.gz FJZANWBOKJNVCL-AWEZNQCLSA-N 0 3 344.411 2.336 20 10 EECDHN C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000775569172 577439747 /nfs/dbraw/zinc/43/97/47/577439747.db2.gz DXRPDGAZZIYSOL-CQSZACIVSA-N 0 3 344.459 2.268 20 10 EECDHN COC(=O)C[C@H]1CSCCN1Cc1cc(C)cc(OC)c1O ZINC000754742726 577811849 /nfs/dbraw/zinc/81/18/49/577811849.db2.gz YHWKKNUVGFJBRT-ZDUSSCGKSA-N 0 3 325.430 2.190 20 10 EECDHN C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756576329 577847117 /nfs/dbraw/zinc/84/71/17/577847117.db2.gz MKOHKGFTOXQSLP-KBPBESRZSA-N 0 3 348.447 2.120 20 10 EECDHN C[C@H]1C[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756736188 577849567 /nfs/dbraw/zinc/84/95/67/577849567.db2.gz LZVYHUUSUBJASY-CMPLNLGQSA-N 0 3 327.421 2.494 20 10 EECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c2c1c(F)ccc2[O-] ZINC000756734517 577849591 /nfs/dbraw/zinc/84/95/91/577849591.db2.gz XNQROQAJBWYKSJ-HONMWMINSA-N 0 3 344.390 2.208 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c([O-])c1 ZINC000756837654 577850914 /nfs/dbraw/zinc/85/09/14/577850914.db2.gz INADMEYTOCOCNB-HEHGZKQESA-N 0 3 328.416 2.279 20 10 EECDHN Cc1nc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000891246994 676241188 /nfs/dbraw/zinc/24/11/88/676241188.db2.gz GJJOGUREJAXNDV-INIZCTEOSA-N 0 3 329.448 2.125 20 10 EECDHN Cc1cnccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247367 676241772 /nfs/dbraw/zinc/24/17/72/676241772.db2.gz JNVDKOQSHDPPKM-GOSISDBHSA-N 0 3 326.444 2.489 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CC[C@@H]2CCOC2)N(C)C)cc1 ZINC000891251082 676247672 /nfs/dbraw/zinc/24/76/72/676247672.db2.gz DIQYYJINIWULKS-QAPCUYQASA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@](C)(O)C2CC2)N(C)C)cc1 ZINC000891253959 676250155 /nfs/dbraw/zinc/25/01/55/676250155.db2.gz VIKYXLRONSJCRF-MJGOQNOKSA-N 0 3 333.476 2.023 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CC[NH+](C)CC1 ZINC000891992478 677880639 /nfs/dbraw/zinc/88/06/39/677880639.db2.gz MVAYIPPBAIVINJ-UHFFFAOYSA-N 0 3 340.851 2.362 20 10 EECDHN COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(O)c1OC ZINC000894409914 682842307 /nfs/dbraw/zinc/84/23/07/682842307.db2.gz UUWYNAHWMWJBBH-VXGBXAGGSA-N 0 3 349.349 2.402 20 10 EECDHN CN1CCCc2cc(CNCc3ccc(S(N)(=O)=O)cc3)ccc21 ZINC000324289944 683720325 /nfs/dbraw/zinc/72/03/25/683720325.db2.gz ADRPORYJTSCOSC-UHFFFAOYSA-N 0 3 345.468 2.006 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCSC2)N(C)C)cc1 ZINC000893296468 684564494 /nfs/dbraw/zinc/56/44/94/684564494.db2.gz TYIVNRRZFITLKU-ZBFHGGJFSA-N 0 3 336.505 2.160 20 10 EECDHN Cc1ncoc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896146145 684861406 /nfs/dbraw/zinc/86/14/06/684861406.db2.gz NVQQJRHAAFBCJY-MRXNPFEDSA-N 0 3 345.447 2.151 20 10 EECDHN Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(C4COC4)C3=O)CC2)c([O-])c1 ZINC001272765379 1193486958 /nfs/dbraw/zinc/48/69/58/1193486958.db2.gz HNCIWPPJXFXNRB-HXUWFJFHSA-N 0 3 344.455 2.304 20 10 EECDHN Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C4COC4)C3=O)CC2)c([O-])c1 ZINC001272765379 1193486960 /nfs/dbraw/zinc/48/69/60/1193486960.db2.gz HNCIWPPJXFXNRB-HXUWFJFHSA-N 0 3 344.455 2.304 20 10 EECDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000877693927 1200035140 /nfs/dbraw/zinc/03/51/40/1200035140.db2.gz UXYSKNGHKPPNQD-IAQYHMDHSA-N 0 3 332.366 2.049 20 10 EECDHN Cc1cc(CN(CC(N)=O)C2CCOCC2)ccc1N1CCCCC1 ZINC000880395638 1201478693 /nfs/dbraw/zinc/47/86/93/1201478693.db2.gz OGQVXVIIJJAPJV-UHFFFAOYSA-N 0 3 345.487 2.452 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001275267050 1205294280 /nfs/dbraw/zinc/29/42/80/1205294280.db2.gz JZDBWCXWNVKYRC-UHFFFAOYSA-N 0 3 326.444 2.187 20 10 EECDHN [O-]c1ccccc1C[N@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001275267050 1205294281 /nfs/dbraw/zinc/29/42/81/1205294281.db2.gz JZDBWCXWNVKYRC-UHFFFAOYSA-N 0 3 326.444 2.187 20 10 EECDHN CC(C)(O)CN1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000158578861 1208406034 /nfs/dbraw/zinc/40/60/34/1208406034.db2.gz GRORBIVPDNJZLX-UHFFFAOYSA-N 0 3 336.476 2.284 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)[C@@H]3CCCCN3C2=O)N(C)C)cc1 ZINC000900185682 1234073839 /nfs/dbraw/zinc/07/38/39/1234073839.db2.gz QYERRTKFKWYFBT-DLBZAZTESA-N 0 3 344.459 2.172 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cncc(Cl)n2)N(C)C)cc1 ZINC000900861989 1234921863 /nfs/dbraw/zinc/92/18/63/1234921863.db2.gz GXSIEDXOECIRGN-OAHLLOKOSA-N 0 3 347.850 2.229 20 10 EECDHN C/C(=C/C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21)c1cnccn1 ZINC000827096741 1249874337 /nfs/dbraw/zinc/87/43/37/1249874337.db2.gz ZWAAYSYFYMRPKG-BAAYTWLHSA-N 0 3 338.411 2.236 20 10 EECDHN CN(C)c1cc(F)c(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000858143481 1294020852 /nfs/dbraw/zinc/02/08/52/1294020852.db2.gz ZKJGCQJXXYRTRN-QWHCGFSZSA-N 0 3 346.443 2.476 20 10 EECDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000858332588 1294086685 /nfs/dbraw/zinc/08/66/85/1294086685.db2.gz XAIOUKASUSDEHV-MRXNPFEDSA-N 0 3 331.412 2.458 20 10 EECDHN O=C1c2cccc(OC3CC4(C[NH2+]C4)C3)c2C(=O)c2cccc([O-])c21 ZINC001218055339 1297559256 /nfs/dbraw/zinc/55/92/56/1297559256.db2.gz DOKHCVFCOOXDJD-UHFFFAOYSA-N 0 3 335.359 2.298 20 10 EECDHN COc1ccc(N2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)cc1 ZINC001276924727 1300288295 /nfs/dbraw/zinc/28/82/95/1300288295.db2.gz NYSVMCKSZCJHKV-UHFFFAOYSA-N 0 3 345.487 2.466 20 10 EECDHN COC(=O)[C@@H]1CCCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000781528310 1303813873 /nfs/dbraw/zinc/81/38/73/1303813873.db2.gz VJBMQQINGCZXFK-IBGZPJMESA-N 0 3 345.487 2.356 20 10 EECDHN COCCN(CCOC)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198315 1304035113 /nfs/dbraw/zinc/03/51/13/1304035113.db2.gz PNLRTTSBKXTIHU-UHFFFAOYSA-N 0 3 342.867 2.271 20 10 EECDHN COc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1[O-] ZINC001233287662 1304417532 /nfs/dbraw/zinc/41/75/32/1304417532.db2.gz BUXJTYUUBFGWPV-CYBMUJFWSA-N 0 3 327.808 2.170 20 10 EECDHN COc1cc(Cl)cc(CN2CCC3(C[C@@H](O)CO3)CC2)c1O ZINC001233287662 1304417536 /nfs/dbraw/zinc/41/75/36/1304417536.db2.gz BUXJTYUUBFGWPV-CYBMUJFWSA-N 0 3 327.808 2.170 20 10 EECDHN CC(C)(C)CC(=O)NC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486919 1304478918 /nfs/dbraw/zinc/47/89/18/1304478918.db2.gz IBSBRHGJFUCTDY-UHFFFAOYSA-N 0 3 336.432 2.320 20 10 EECDHN COCC(=O)N[C@@H]1CCCN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235682505 1305326040 /nfs/dbraw/zinc/32/60/40/1305326040.db2.gz YFDGXMHXBXZRIR-MRXNPFEDSA-N 0 3 334.460 2.417 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001237640880 1306020338 /nfs/dbraw/zinc/02/03/38/1306020338.db2.gz HOALUXYWDGAZKV-DNVCBOLYSA-N 0 3 331.387 2.373 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001237640880 1306020351 /nfs/dbraw/zinc/02/03/51/1306020351.db2.gz HOALUXYWDGAZKV-DNVCBOLYSA-N 0 3 331.387 2.373 20 10 EECDHN COc1cc(CN2CC[C@@](CO)(C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237669762 1306039340 /nfs/dbraw/zinc/03/93/40/1306039340.db2.gz NBIHMFQMDIRCJQ-CQSZACIVSA-N 0 3 335.322 2.156 20 10 EECDHN Cc1cc(C(=O)N[C@@H]2COC3(CNC3)C2)c(C)n1-c1ccc(F)cc1 ZINC001122142423 1310228962 /nfs/dbraw/zinc/22/89/62/1310228962.db2.gz PZZQWHMZLOEEHR-HNNXBMFYSA-N 0 3 343.402 2.094 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841006037 1315453204 /nfs/dbraw/zinc/45/32/04/1315453204.db2.gz GVUGLMACSUHTLQ-CHWSQXEVSA-N 0 3 340.851 2.409 20 10 EECDHN CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841132605 1315485494 /nfs/dbraw/zinc/48/54/94/1315485494.db2.gz YMLQSLHBFVESAZ-UHFFFAOYSA-N 0 3 346.475 2.322 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c([O-])c1 ZINC001249207340 1317023544 /nfs/dbraw/zinc/02/35/44/1317023544.db2.gz CDXSUWAADOWBGC-HNNXBMFYSA-N 0 3 337.391 2.201 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC(c3ccn(C)n3)CC2)c([O-])c1 ZINC001249214242 1317025086 /nfs/dbraw/zinc/02/50/86/1317025086.db2.gz IYTMNNDOLFPPNE-UHFFFAOYSA-N 0 3 343.427 2.221 20 10 EECDHN CC1(C)C=Cc2c(ccc(C[N@@H+]3CC[C@@]4(CCNC4=O)C3)c2[O-])O1 ZINC001249230419 1317029650 /nfs/dbraw/zinc/02/96/50/1317029650.db2.gz GSSIKYVZWQBJPH-IBGZPJMESA-N 0 3 328.412 2.288 20 10 EECDHN CC1(C)C=Cc2c(ccc(C[N@H+]3CC[C@@]4(CCNC4=O)C3)c2[O-])O1 ZINC001249230419 1317029659 /nfs/dbraw/zinc/02/96/59/1317029659.db2.gz GSSIKYVZWQBJPH-IBGZPJMESA-N 0 3 328.412 2.288 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCC(F)(F)C(F)F ZINC001251584026 1317473195 /nfs/dbraw/zinc/47/31/95/1317473195.db2.gz QLDLZEMGTJGMJC-NSHDSACASA-N 0 3 325.302 2.102 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COCC(F)(F)C(F)F ZINC001251584026 1317473199 /nfs/dbraw/zinc/47/31/99/1317473199.db2.gz QLDLZEMGTJGMJC-NSHDSACASA-N 0 3 325.302 2.102 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001203635416 1321929215 /nfs/dbraw/zinc/92/92/15/1321929215.db2.gz SUXVHZFKJFXLKJ-OAHLLOKOSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001203635416 1321929217 /nfs/dbraw/zinc/92/92/17/1321929217.db2.gz SUXVHZFKJFXLKJ-OAHLLOKOSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cnc(OC2CCN(Cc3cc(OC)ccc3O)CC2)nc1 ZINC001203684146 1321940553 /nfs/dbraw/zinc/94/05/53/1321940553.db2.gz NOXYXKWLXOVBEJ-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](N)C1CCCCC1 ZINC001328592432 1334485413 /nfs/dbraw/zinc/48/54/13/1334485413.db2.gz UOLVGRFFUOMWHY-IBGZPJMESA-N 0 3 345.487 2.389 20 10 EECDHN CO[C@@H]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001337399516 1336695674 /nfs/dbraw/zinc/69/56/74/1336695674.db2.gz HXINCGCXKZHSRA-KZNAEPCWSA-N 0 3 333.476 2.287 20 10 EECDHN Cc1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC001340542534 1337204815 /nfs/dbraw/zinc/20/48/15/1337204815.db2.gz ZCBUFZMKCVMKJM-QGZVFWFLSA-N 0 3 345.447 2.151 20 10 EECDHN CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465623 1349340954 /nfs/dbraw/zinc/34/09/54/1349340954.db2.gz HMTFGIZMDUFGPA-INIZCTEOSA-N 0 3 344.463 2.487 20 10 EECDHN CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465623 1349340961 /nfs/dbraw/zinc/34/09/61/1349340961.db2.gz HMTFGIZMDUFGPA-INIZCTEOSA-N 0 3 344.463 2.487 20 10 EECDHN COc1cc(CNCC(=O)NCC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850034810 1367120330 /nfs/dbraw/zinc/12/03/30/1367120330.db2.gz PZASHIKXTINFGZ-UHFFFAOYSA-N 0 3 348.365 2.466 20 10 EECDHN COc1cc(O)c(CN2CCC[C@H](c3noc(C)n3)C2)c(OC)c1 ZINC001141032120 1372745386 /nfs/dbraw/zinc/74/53/86/1372745386.db2.gz TVJSXXQNQCQZDB-LBPRGKRZSA-N 0 3 333.388 2.480 20 10 EECDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(C)C ZINC000823271124 787647575 /nfs/dbraw/zinc/64/75/75/787647575.db2.gz POOMGDJUHACXTN-INIZCTEOSA-N 0 3 348.443 2.157 20 10 EECDHN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000385243549 788363354 /nfs/dbraw/zinc/36/33/54/788363354.db2.gz MDEZQUOCQKULIN-CYBMUJFWSA-N 0 3 330.259 2.179 20 10 EECDHN COc1cc([O-])c(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206200972 797476220 /nfs/dbraw/zinc/47/62/20/797476220.db2.gz UUAYXFFZAWDHDS-NEPJUHHUSA-N 0 3 347.228 2.425 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1[O-] ZINC000195007450 301070379 /nfs/dbraw/zinc/07/03/79/301070379.db2.gz MABDNZUTCQHZLT-UFBFGSQYSA-N 0 3 327.222 2.077 20 10 EECDHN COc1c([O-])c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000289577895 464086158 /nfs/dbraw/zinc/08/61/58/464086158.db2.gz JUZGJEWIPAONTB-PBWFPOADSA-N 0 3 335.404 2.366 20 10 EECDHN COc1c([O-])c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000289577895 464086165 /nfs/dbraw/zinc/08/61/65/464086165.db2.gz JUZGJEWIPAONTB-PBWFPOADSA-N 0 3 335.404 2.366 20 10 EECDHN COc1c([O-])c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000289577895 464086172 /nfs/dbraw/zinc/08/61/72/464086172.db2.gz JUZGJEWIPAONTB-PBWFPOADSA-N 0 3 335.404 2.366 20 10 EECDHN COc1c([O-])c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000289577895 464086176 /nfs/dbraw/zinc/08/61/76/464086176.db2.gz JUZGJEWIPAONTB-PBWFPOADSA-N 0 3 335.404 2.366 20 10 EECDHN Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c(O)c1O ZINC000179540141 464153983 /nfs/dbraw/zinc/15/39/83/464153983.db2.gz UIAWQNGMJDBPGY-ZIAGYGMSSA-N 0 3 336.432 2.025 20 10 EECDHN C[NH+](C)CCOc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000280723914 464239726 /nfs/dbraw/zinc/23/97/26/464239726.db2.gz UTZULZPMVUPUML-UHFFFAOYSA-N 0 3 344.411 2.011 20 10 EECDHN C[C@@H]1CN(CCCC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)O1 ZINC000237503830 464330639 /nfs/dbraw/zinc/33/06/39/464330639.db2.gz GHRKMQXXCOSUAP-ZIAGYGMSSA-N 0 3 337.420 2.279 20 10 EECDHN COCCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000292833234 464357561 /nfs/dbraw/zinc/35/75/61/464357561.db2.gz OYVLFGRJVWGRPT-GOSISDBHSA-N 0 3 345.439 2.453 20 10 EECDHN COCCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000292833234 464357565 /nfs/dbraw/zinc/35/75/65/464357565.db2.gz OYVLFGRJVWGRPT-GOSISDBHSA-N 0 3 345.439 2.453 20 10 EECDHN C[C@H]1CN(CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000180850292 464407154 /nfs/dbraw/zinc/40/71/54/464407154.db2.gz IAIZWBPFLXHUPI-ODYMAQSMSA-N 0 3 348.443 2.117 20 10 EECDHN O=C1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCN1 ZINC000183048471 464783113 /nfs/dbraw/zinc/78/31/13/464783113.db2.gz AKPBRBBJWRWWDD-UHFFFAOYSA-N 0 3 326.396 2.293 20 10 EECDHN O=C1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCN1 ZINC000183048471 464783116 /nfs/dbraw/zinc/78/31/16/464783116.db2.gz AKPBRBBJWRWWDD-UHFFFAOYSA-N 0 3 326.396 2.293 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)C(=O)NCCF)c1[O-] ZINC000282731288 464924995 /nfs/dbraw/zinc/92/49/95/464924995.db2.gz MHEZKLHCJPOUJI-VIFPVBQESA-N 0 3 333.201 2.027 20 10 EECDHN CCN(CCO)CCNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000183986021 464932911 /nfs/dbraw/zinc/93/29/11/464932911.db2.gz PSCUHJPXJYVYAR-UHFFFAOYSA-N 0 3 329.444 2.138 20 10 EECDHN CCO[C@H]1C[C@H](NCC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000295853920 464986802 /nfs/dbraw/zinc/98/68/02/464986802.db2.gz DLYZPUZVAVIJJD-ROUUACIJSA-N 0 3 345.487 2.306 20 10 EECDHN COc1ncc(/C=C/C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cn1 ZINC000363688013 466559405 /nfs/dbraw/zinc/55/94/05/466559405.db2.gz QAGOOFHUOYCQHY-FDMDGMSGSA-N 0 3 338.411 2.018 20 10 EECDHN COc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1O ZINC000365118256 466733282 /nfs/dbraw/zinc/73/32/82/466733282.db2.gz UPDSWPXUXMPTNF-UHFFFAOYSA-N 0 3 332.360 2.343 20 10 EECDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000090018536 527869587 /nfs/dbraw/zinc/86/95/87/527869587.db2.gz OXTDLKOAAOGJRC-KBXCAEBGSA-N 0 3 341.459 2.332 20 10 EECDHN O=C1CCCN1CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000731844766 577127435 /nfs/dbraw/zinc/12/74/35/577127435.db2.gz NROGOLRFKPDUFF-KRWDZBQOSA-N 0 3 332.444 2.386 20 10 EECDHN O=C1CCCN1CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000731844766 577127437 /nfs/dbraw/zinc/12/74/37/577127437.db2.gz NROGOLRFKPDUFF-KRWDZBQOSA-N 0 3 332.444 2.386 20 10 EECDHN CN1CCN(Cc2ccc(CNC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000731869834 577128856 /nfs/dbraw/zinc/12/88/56/577128856.db2.gz PFZALPRMEGXBQZ-UHFFFAOYSA-N 0 3 345.468 2.131 20 10 EECDHN C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000775137463 577430895 /nfs/dbraw/zinc/43/08/95/577430895.db2.gz UYQSFLUQXLVZQA-GFCCVEGCSA-N 0 3 328.368 2.453 20 10 EECDHN C[C@H](NCc1cc(=O)c(O)co1)c1ccc(N2CCOCC2)cc1 ZINC000775258547 577433890 /nfs/dbraw/zinc/43/38/90/577433890.db2.gz DMFMFLGDBWBRAJ-ZDUSSCGKSA-N 0 3 330.384 2.033 20 10 EECDHN CC[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000775503762 577438633 /nfs/dbraw/zinc/43/86/33/577438633.db2.gz NPAITWSBUSFVEG-QGZVFWFLSA-N 0 3 333.476 2.376 20 10 EECDHN COC[C@H](CCO)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766106082 577513155 /nfs/dbraw/zinc/51/31/55/577513155.db2.gz CCBGWYKQWFRSLT-KGLIPLIRSA-N 0 3 342.867 2.225 20 10 EECDHN CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768462183 577556257 /nfs/dbraw/zinc/55/62/57/577556257.db2.gz KYZGJTWFHYTMEH-CXAGYDPISA-N 0 3 349.427 2.373 20 10 EECDHN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768462183 577556258 /nfs/dbraw/zinc/55/62/58/577556258.db2.gz KYZGJTWFHYTMEH-CXAGYDPISA-N 0 3 349.427 2.373 20 10 EECDHN C[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])S(C)(=O)=O ZINC000753572640 577790164 /nfs/dbraw/zinc/79/01/64/577790164.db2.gz VLTLBCVPWSJECY-CQSZACIVSA-N 0 3 349.452 2.494 20 10 EECDHN CCN(CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)S(C)(=O)=O ZINC000756441105 577844284 /nfs/dbraw/zinc/84/42/84/577844284.db2.gz HYUNEBIYNPEMKW-YPMHNXCESA-N 0 3 344.452 2.341 20 10 EECDHN CO[C@@](C)(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891246240 676238476 /nfs/dbraw/zinc/23/84/76/676238476.db2.gz BCGVPGGLTBSMKS-PKOBYXMFSA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC(C)(C)O2)N(C)C)cc1 ZINC000891247157 676241407 /nfs/dbraw/zinc/24/14/07/676241407.db2.gz GCHRJJDBCNVIHT-IAGOWNOFSA-N 0 3 333.476 2.429 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2O)N(C)C)cc1 ZINC000891247490 676241935 /nfs/dbraw/zinc/24/19/35/676241935.db2.gz HRXAGSPOFVNQHE-GOSISDBHSA-N 0 3 341.455 2.420 20 10 EECDHN Cc1cnccc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248469 676242765 /nfs/dbraw/zinc/24/27/65/676242765.db2.gz MCUHUJOXSLRLLR-LJQANCHMSA-N 0 3 340.471 2.418 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCCOC2)N(C)C)cc1 ZINC000891249117 676245087 /nfs/dbraw/zinc/24/50/87/676245087.db2.gz QDLZKLFVPOGSBC-YJBOKZPZSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)N(C)C)cc1 ZINC000891254777 676251792 /nfs/dbraw/zinc/25/17/92/676251792.db2.gz JERXOEVURNHTPM-OAHLLOKOSA-N 0 3 345.403 2.022 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)N(C)C)cc1 ZINC000891255284 676252638 /nfs/dbraw/zinc/25/26/38/676252638.db2.gz OJNLEJMOCCGDEM-GOSISDBHSA-N 0 3 341.459 2.386 20 10 EECDHN COc1ccc(N2CCN(C(=O)C[C@H](N)c3ccccc3)CC2)cc1 ZINC000237266560 685019627 /nfs/dbraw/zinc/01/96/27/685019627.db2.gz QCJYBIQTEPYQKE-IBGZPJMESA-N 0 3 339.439 2.434 20 10 EECDHN Fc1cc(CNCc2ccc3nonc3c2)ccc1N1CCOCC1 ZINC000897995012 691835646 /nfs/dbraw/zinc/83/56/46/691835646.db2.gz VAWATXNFAJBKOJ-UHFFFAOYSA-N 0 3 342.374 2.488 20 10 EECDHN O=C1C[C@@]2(CN1CC(F)F)CCCC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001272988391 1194297444 /nfs/dbraw/zinc/29/74/44/1194297444.db2.gz QTDIPQSTOWSCFS-QGZVFWFLSA-N 0 3 340.370 2.320 20 10 EECDHN O=C1C[C@@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001272988391 1194297446 /nfs/dbraw/zinc/29/74/46/1194297446.db2.gz QTDIPQSTOWSCFS-QGZVFWFLSA-N 0 3 340.370 2.320 20 10 EECDHN CCCOc1ccc(CNC[C@H]2CCCN2S(C)(=O)=O)cc1C ZINC000873095323 1198498672 /nfs/dbraw/zinc/49/86/72/1198498672.db2.gz UCNLTGRGQVZKMX-MRXNPFEDSA-N 0 3 340.489 2.297 20 10 EECDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000877693929 1200034832 /nfs/dbraw/zinc/03/48/32/1200034832.db2.gz UXYSKNGHKPPNQD-XHDPSFHLSA-N 0 3 332.366 2.049 20 10 EECDHN CCOCCN1CC[C@]2(CC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302225 1204990859 /nfs/dbraw/zinc/99/08/59/1204990859.db2.gz YRMZIKPLUOZIFB-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN CCOCCN1CC[C@]2(CC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302225 1204990861 /nfs/dbraw/zinc/99/08/61/1204990861.db2.gz YRMZIKPLUOZIFB-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN [O-]c1cc(Cl)ccc1CN1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001275270612 1205295197 /nfs/dbraw/zinc/29/51/97/1205295197.db2.gz DTRGTQMDMKUKMN-UHFFFAOYSA-N 0 3 346.862 2.450 20 10 EECDHN [O-]c1cc(Cl)ccc1CN1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001275270612 1205295198 /nfs/dbraw/zinc/29/51/98/1205295198.db2.gz DTRGTQMDMKUKMN-UHFFFAOYSA-N 0 3 346.862 2.450 20 10 EECDHN Oc1cc(F)c(F)cc1CN1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001275775151 1205521740 /nfs/dbraw/zinc/52/17/40/1205521740.db2.gz WUKUUXNDRJSOOH-GASCZTMLSA-N 0 3 338.398 2.498 20 10 EECDHN O=c1cccc(CN2[C@@H]3CC[C@H]2CN(Cc2ccc(O)cc2O)C3)[nH]1 ZINC001275952701 1205600423 /nfs/dbraw/zinc/60/04/23/1205600423.db2.gz JZZGBUKBSKFUTR-IYBDPMFKSA-N 0 3 341.411 2.047 20 10 EECDHN Cc1c(O)ccc(CN2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c1O ZINC001276118230 1205782222 /nfs/dbraw/zinc/78/22/22/1205782222.db2.gz SEEBROOAYSTOBQ-WMZOPIPTSA-N 0 3 332.444 2.234 20 10 EECDHN CCOc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c([O-])c1 ZINC000796517524 1220524121 /nfs/dbraw/zinc/52/41/21/1220524121.db2.gz WXLFUMYUBQJFSQ-OAHLLOKOSA-N 0 3 348.365 2.144 20 10 EECDHN COc1ccc(N2C[C@H]([NH2+]Cc3cc(F)ccc3[O-])CC2=O)cc1 ZINC000826980909 1248338000 /nfs/dbraw/zinc/33/80/00/1248338000.db2.gz BJDIMCHPAXSAPF-CQSZACIVSA-N 0 3 330.359 2.435 20 10 EECDHN CCOC(=O)CN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231588494 1303857175 /nfs/dbraw/zinc/85/71/75/1303857175.db2.gz QXMMBOIPDLJSNJ-UHFFFAOYSA-N 0 3 328.412 2.226 20 10 EECDHN COc1ccc(O[C@H]2CCN(Cc3cc(OC)c(O)cc3O)C2)nc1 ZINC001231638803 1303874640 /nfs/dbraw/zinc/87/46/40/1303874640.db2.gz BKXRABGYDNZBMY-AWEZNQCLSA-N 0 3 346.383 2.163 20 10 EECDHN COc1cc(CN2CCC(N3CCCCC3=O)CC2)c(O)cc1O ZINC001231638333 1303875343 /nfs/dbraw/zinc/87/53/43/1303875343.db2.gz XZSNTSFFHBKCJX-UHFFFAOYSA-N 0 3 334.416 2.083 20 10 EECDHN COc1cc(CN2CCC[C@H](Oc3nccnc3C)C2)c(O)cc1O ZINC001231639759 1303876406 /nfs/dbraw/zinc/87/64/06/1303876406.db2.gz JEDKDLOZVSVTBI-AWEZNQCLSA-N 0 3 345.399 2.248 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](C(C)C)C1)cc2=O ZINC000781981977 1303916414 /nfs/dbraw/zinc/91/64/14/1303916414.db2.gz MWSZADOYDOZTMJ-ZDUSSCGKSA-N 0 3 346.431 2.480 20 10 EECDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236826190 1305690770 /nfs/dbraw/zinc/69/07/70/1305690770.db2.gz IESCGPSWOOZWPA-LPHOPBHVSA-N 0 3 327.380 2.167 20 10 EECDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236826190 1305690778 /nfs/dbraw/zinc/69/07/78/1305690778.db2.gz IESCGPSWOOZWPA-LPHOPBHVSA-N 0 3 327.380 2.167 20 10 EECDHN Cc1cccc(O)c1CN1CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001237488359 1305956350 /nfs/dbraw/zinc/95/63/50/1305956350.db2.gz UKCALEJCEMDJLY-GDBMZVCRSA-N 0 3 336.432 2.161 20 10 EECDHN Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4cc(F)ccc4[O-])C[C@H]3O2)n1 ZINC001140053901 1314805773 /nfs/dbraw/zinc/80/57/73/1314805773.db2.gz DXKABVKFNIZWGN-DUVNUKRYSA-N 0 3 333.363 2.055 20 10 EECDHN Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4cc(F)ccc4[O-])C[C@H]3O2)n1 ZINC001140053901 1314805777 /nfs/dbraw/zinc/80/57/77/1314805777.db2.gz DXKABVKFNIZWGN-DUVNUKRYSA-N 0 3 333.363 2.055 20 10 EECDHN O=C1[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]2CN1Cc1ccncc1 ZINC001140053791 1314805901 /nfs/dbraw/zinc/80/59/01/1314805901.db2.gz DKLOZUWPKYUTNM-RDJZCZTQSA-N 0 3 341.386 2.017 20 10 EECDHN O=C1[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]2CN1Cc1ccncc1 ZINC001140053791 1314805906 /nfs/dbraw/zinc/80/59/06/1314805906.db2.gz DKLOZUWPKYUTNM-RDJZCZTQSA-N 0 3 341.386 2.017 20 10 EECDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(CC(F)(F)F)C1=O ZINC000840933289 1315440522 /nfs/dbraw/zinc/44/05/22/1315440522.db2.gz BKOAEKLVMSKJNH-AWEZNQCLSA-N 0 3 329.366 2.314 20 10 EECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@](C)(O)c1ccccc1 ZINC000842626242 1315736913 /nfs/dbraw/zinc/73/69/13/1315736913.db2.gz NOYYWEMYUDEYQD-IEBWSBKVSA-N 0 3 329.396 2.158 20 10 EECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@](C)(O)c1ccccc1 ZINC000842626242 1315736916 /nfs/dbraw/zinc/73/69/16/1315736916.db2.gz NOYYWEMYUDEYQD-IEBWSBKVSA-N 0 3 329.396 2.158 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)c([O-])c1 ZINC001249178252 1317018783 /nfs/dbraw/zinc/01/87/83/1317018783.db2.gz POKKIUDFFYQNJT-UHFFFAOYSA-N 0 3 327.380 2.372 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)c([O-])c1 ZINC001249178252 1317018792 /nfs/dbraw/zinc/01/87/92/1317018792.db2.gz POKKIUDFFYQNJT-UHFFFAOYSA-N 0 3 327.380 2.372 20 10 EECDHN CC(C)(O)CN1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249263209 1317037976 /nfs/dbraw/zinc/03/79/76/1317037976.db2.gz FDTKKYZVYKRZFY-UHFFFAOYSA-N 0 3 346.471 2.465 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001249725583 1317160087 /nfs/dbraw/zinc/16/00/87/1317160087.db2.gz QTGCEYJYLVEOFW-HNNXBMFYSA-N 0 3 337.416 2.071 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001249725583 1317160089 /nfs/dbraw/zinc/16/00/89/1317160089.db2.gz QTGCEYJYLVEOFW-HNNXBMFYSA-N 0 3 337.416 2.071 20 10 EECDHN COC(=O)[C@H]1CCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001250120914 1317215113 /nfs/dbraw/zinc/21/51/13/1317215113.db2.gz UWRZTFCDOLHRFR-JTQLQIEISA-N 0 3 328.206 2.458 20 10 EECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(CCO)cc1 ZINC001253142514 1317779341 /nfs/dbraw/zinc/77/93/41/1317779341.db2.gz BTRAOJODLYYHDU-SFHVURJKSA-N 0 3 345.439 2.189 20 10 EECDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(CCO)cc1 ZINC001253142514 1317779345 /nfs/dbraw/zinc/77/93/45/1317779345.db2.gz BTRAOJODLYYHDU-SFHVURJKSA-N 0 3 345.439 2.189 20 10 EECDHN CN(Cc1ccc(N2CCCC2)cc1)C[C@H](O)C(=O)OC(C)(C)C ZINC001253682228 1317912132 /nfs/dbraw/zinc/91/21/32/1317912132.db2.gz SAQHSBBZSAKVFZ-KRWDZBQOSA-N 0 3 334.460 2.421 20 10 EECDHN CCC[C@H](N)C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161532598 1320529025 /nfs/dbraw/zinc/52/90/25/1320529025.db2.gz VPSUOHPDYFGQRT-AWEZNQCLSA-N 0 3 345.365 2.361 20 10 EECDHN O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552139 1321910340 /nfs/dbraw/zinc/91/03/40/1321910340.db2.gz BWLUGYHXDRJXRF-QGZVFWFLSA-N 0 3 337.423 2.426 20 10 EECDHN COc1cc(C)nc(O[C@H]2CCN(Cc3cccc(OC)c3O)C2)n1 ZINC001203601882 1321920864 /nfs/dbraw/zinc/92/08/64/1321920864.db2.gz PMSIMENXXCSIIS-AWEZNQCLSA-N 0 3 345.399 2.161 20 10 EECDHN O=C(c1ccsc1)N1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203877234 1321980503 /nfs/dbraw/zinc/98/05/03/1321980503.db2.gz OYOODXAYWIRCJY-HUUCEWRRSA-N 0 3 344.436 2.363 20 10 EECDHN COc1ccc(N2CCN(C[C@H]3CCCN(C(C)=O)C3)CC2)c(C)c1 ZINC001208975494 1324745454 /nfs/dbraw/zinc/74/54/54/1324745454.db2.gz LRCBOYIAMVIXLN-GOSISDBHSA-N 0 3 345.487 2.384 20 10 EECDHN Cn1cc(C(C)(C)NCc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001323475246 1333471517 /nfs/dbraw/zinc/47/15/17/1333471517.db2.gz IHGXIIUMXBIPOD-UHFFFAOYSA-N 0 3 345.466 2.336 20 10 EECDHN CCc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC001334842777 1336302780 /nfs/dbraw/zinc/30/27/80/1336302780.db2.gz JEISDOGAPVVRAV-INIZCTEOSA-N 0 3 330.432 2.336 20 10 EECDHN COc1cccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)c1O ZINC001580070622 1344463757 /nfs/dbraw/zinc/46/37/57/1344463757.db2.gz VHRIALMIJSOFQJ-UHFFFAOYSA-N 0 3 329.335 2.010 20 10 EECDHN Cc1c(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c2ccccc2n1C ZINC001138252383 1372371440 /nfs/dbraw/zinc/37/14/40/1372371440.db2.gz FAIWLNINGBQHBD-LRDDRELGSA-N 0 3 342.361 2.347 20 10 EECDHN CCN(CC)c1ccc(CN2CC[C@@H](N3CCOCC3)C2)c(OC)c1 ZINC001138389420 1372389276 /nfs/dbraw/zinc/38/92/76/1372389276.db2.gz OGUNGELKCHQNRR-LJQANCHMSA-N 0 3 347.503 2.448 20 10 EECDHN CC[C@@H](C)C(=O)N1CCC[C@](CO)(NCc2ccc(OC)c(C)c2)C1 ZINC001755081857 1407096058 /nfs/dbraw/zinc/09/60/58/1407096058.db2.gz XHADBXIQELOCCM-QRWLVFNGSA-N 0 3 348.487 2.493 20 10 EECDHN CC[C@H](C(=O)NCCC1=CCN(c2nc(C)ncc2C)CC1)N(C)C ZINC001089835317 777444189 /nfs/dbraw/zinc/44/41/89/777444189.db2.gz VCUHSCASUAVWTO-QGZVFWFLSA-N 0 3 345.491 2.076 20 10 EECDHN COc1ccc(O)c([C@H](C)NCc2cc(=O)n3ccccc3n2)c1 ZINC000182374041 778855481 /nfs/dbraw/zinc/85/54/81/778855481.db2.gz POYGKWRYLFLMTL-LBPRGKRZSA-N 0 3 325.368 2.260 20 10 EECDHN CS[C@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893796729 780179844 /nfs/dbraw/zinc/17/98/44/780179844.db2.gz BCTYTFOQYYCCAA-CZUORRHYSA-N 0 3 338.521 2.406 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@]1(O)CCOC1 ZINC000183161322 780461541 /nfs/dbraw/zinc/46/15/41/780461541.db2.gz HHOWTDUROWCFPG-LJQANCHMSA-N 0 3 329.396 2.212 20 10 EECDHN COc1cccc(CNCc2cc(Br)nn2C)c1O ZINC000809740318 783346727 /nfs/dbraw/zinc/34/67/27/783346727.db2.gz UDCSZWZTXPDAFS-UHFFFAOYSA-N 0 3 326.194 2.187 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H](C)C(=O)NC(C)C)c1[O-] ZINC000840974388 783362530 /nfs/dbraw/zinc/36/25/30/783362530.db2.gz IGZJHOUJLMVWCS-SNVBAGLBSA-N 0 3 329.238 2.466 20 10 EECDHN CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000809784230 783386733 /nfs/dbraw/zinc/38/67/33/783386733.db2.gz IXBIEXHFALMHHP-NSHDSACASA-N 0 3 332.853 2.012 20 10 EECDHN CNC(=O)[C@H](CCSC)NCc1cc(Cl)cc(OC)c1O ZINC000809784230 783386738 /nfs/dbraw/zinc/38/67/38/783386738.db2.gz IXBIEXHFALMHHP-NSHDSACASA-N 0 3 332.853 2.012 20 10 EECDHN CCN1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000824886842 788351152 /nfs/dbraw/zinc/35/11/52/788351152.db2.gz LLRCXLVVLIGHNO-GFCCVEGCSA-N 0 3 329.366 2.482 20 10 EECDHN CCOc1ccc(N2CCN([C@@H]3CCN(C4CC4)C(=O)C3)CC2)cc1 ZINC001172020366 796847455 /nfs/dbraw/zinc/84/74/55/796847455.db2.gz XLCGKGMUXOCGIB-GOSISDBHSA-N 0 3 343.471 2.361 20 10 EECDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000808174836 812517805 /nfs/dbraw/zinc/51/78/05/812517805.db2.gz KKUQQCXLTFOUSL-OAHLLOKOSA-N 0 3 349.862 2.400 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1[O-] ZINC000808675302 812807666 /nfs/dbraw/zinc/80/76/66/812807666.db2.gz CCLOOFJRJOSMLQ-NSHDSACASA-N 0 3 326.824 2.287 20 10 EECDHN CN(C)c1ccc(CN2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000093454355 529780270 /nfs/dbraw/zinc/78/02/70/529780270.db2.gz PZSWRTWHTZGAOJ-GOSISDBHSA-N 0 3 328.460 2.432 20 10 EECDHN COc1ccc(CNC(=O)C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000297960586 465275395 /nfs/dbraw/zinc/27/53/95/465275395.db2.gz ZGJUIOCMFABZLZ-MRXNPFEDSA-N 0 3 326.396 2.294 20 10 EECDHN CCN(Cc1ccccc1)c1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093483507 463037900 /nfs/dbraw/zinc/03/79/00/463037900.db2.gz HUDKBBMWIXXXHX-BGYRXZFFSA-N 0 3 326.440 2.251 20 10 EECDHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)NCc2ccccc2)c1 ZINC000185161229 463765358 /nfs/dbraw/zinc/76/53/58/463765358.db2.gz HLRGZMSCAGKGNN-HNNXBMFYSA-N 0 3 348.468 2.471 20 10 EECDHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccccc1O ZINC000269163224 463894548 /nfs/dbraw/zinc/89/45/48/463894548.db2.gz VPOKUMGCLXFMRI-UHFFFAOYSA-N 0 3 339.439 2.221 20 10 EECDHN CCOCc1cc(CN[C@H](CO)C[C@H](O)C(C)(C)C)ccc1OC ZINC000284036450 464072905 /nfs/dbraw/zinc/07/29/05/464072905.db2.gz ONVDOTSPEODVIC-WMZOPIPTSA-N 0 3 339.476 2.479 20 10 EECDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000180681319 464368558 /nfs/dbraw/zinc/36/85/58/464368558.db2.gz PFCFEBAYSLEUDX-JTQLQIEISA-N 0 3 329.238 2.277 20 10 EECDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000180681319 464368566 /nfs/dbraw/zinc/36/85/66/464368566.db2.gz PFCFEBAYSLEUDX-JTQLQIEISA-N 0 3 329.238 2.277 20 10 EECDHN CN(C)c1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000182684009 464709397 /nfs/dbraw/zinc/70/93/97/464709397.db2.gz LUTLIKPPQWLWQK-GOEBONIOSA-N 0 3 328.453 2.337 20 10 EECDHN OCCN1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182929228 464761277 /nfs/dbraw/zinc/76/12/77/464761277.db2.gz GPPDVTRPHGWMBZ-UHFFFAOYSA-N 0 3 342.439 2.081 20 10 EECDHN CCCC[N@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccccc1[O-] ZINC000282363413 464790244 /nfs/dbraw/zinc/79/02/44/464790244.db2.gz DMANCBKMPGHHBK-UHFFFAOYSA-N 0 3 346.431 2.002 20 10 EECDHN CCCC[N@@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccccc1[O-] ZINC000282363413 464790248 /nfs/dbraw/zinc/79/02/48/464790248.db2.gz DMANCBKMPGHHBK-UHFFFAOYSA-N 0 3 346.431 2.002 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000295599186 464897124 /nfs/dbraw/zinc/89/71/24/464897124.db2.gz XDDJWRXDAAAOCI-SFHVURJKSA-N 0 3 347.503 2.194 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000368131885 466582438 /nfs/dbraw/zinc/58/24/38/466582438.db2.gz CKMOQRWXVVPYJW-SNVBAGLBSA-N 0 3 327.222 2.160 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000368131885 466582433 /nfs/dbraw/zinc/58/24/33/466582433.db2.gz CKMOQRWXVVPYJW-SNVBAGLBSA-N 0 3 327.222 2.160 20 10 EECDHN COc1cc(O)c(CN2CCOC3(CCOCC3)CC2)cc1OC ZINC000375116829 466811700 /nfs/dbraw/zinc/81/17/00/466811700.db2.gz XCEMZHLYHJTQES-UHFFFAOYSA-N 0 3 337.416 2.181 20 10 EECDHN COc1ncc(/C=C/C(=O)N(CCN(C)C)c2ccccc2)cn1 ZINC000492712999 467723205 /nfs/dbraw/zinc/72/32/05/467723205.db2.gz VNEVTAYTFVVHTF-MDZDMXLPSA-N 0 3 326.400 2.093 20 10 EECDHN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000153656951 490676661 /nfs/dbraw/zinc/67/66/61/490676661.db2.gz UBGUIRQYPCWGPM-SFHVURJKSA-N 0 3 331.460 2.012 20 10 EECDHN Cn1cccc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000738425320 578014280 /nfs/dbraw/zinc/01/42/80/578014280.db2.gz CPCMEDLLKOJLGB-MRXNPFEDSA-N 0 3 326.444 2.017 20 10 EECDHN C[C@@H](NCC(=O)NCC(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000775832369 577446863 /nfs/dbraw/zinc/44/68/63/577446863.db2.gz ZUSNFMPGNGVHCG-CYBMUJFWSA-N 0 3 345.468 2.464 20 10 EECDHN C[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(F)ccc1[O-] ZINC000756565321 577846967 /nfs/dbraw/zinc/84/69/67/577846967.db2.gz ZARLAECPIOLKMC-ZDUSSCGKSA-N 0 3 337.439 2.125 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000743807471 577890086 /nfs/dbraw/zinc/89/00/86/577890086.db2.gz BBMGBUJCDWVOHW-LLVKDONJSA-N 0 3 341.249 2.455 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000743807471 577890087 /nfs/dbraw/zinc/89/00/87/577890087.db2.gz BBMGBUJCDWVOHW-LLVKDONJSA-N 0 3 341.249 2.455 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]nc2C2CC2)N(C)C)cc1 ZINC000891248419 676242632 /nfs/dbraw/zinc/24/26/32/676242632.db2.gz LMUAOUJWDQJIFH-QGZVFWFLSA-N 0 3 341.459 2.386 20 10 EECDHN C[C@@H]1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H](C)O1 ZINC000891248546 676242753 /nfs/dbraw/zinc/24/27/53/676242753.db2.gz YJXDHHCQOPNJDW-IDCJVQTKSA-N 0 3 333.476 2.285 20 10 EECDHN CCc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC000891254710 676250318 /nfs/dbraw/zinc/25/03/18/676250318.db2.gz INASUCFARGQHCC-QGZVFWFLSA-N 0 3 329.448 2.071 20 10 EECDHN C[C@@H]1CCCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051228111 676682774 /nfs/dbraw/zinc/68/27/74/676682774.db2.gz HMUKXYVLZDUCGV-OAHLLOKOSA-N 0 3 349.450 2.153 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@@H]2CCOC2)N(C)C)cc1 ZINC000894154545 681794167 /nfs/dbraw/zinc/79/41/67/681794167.db2.gz NNMJJBSBYKJBSZ-QAPCUYQASA-N 0 3 348.491 2.081 20 10 EECDHN C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000895850857 684748364 /nfs/dbraw/zinc/74/83/64/684748364.db2.gz GMTXQQXBFHMNFJ-CHWSQXEVSA-N 0 3 326.462 2.103 20 10 EECDHN C[C@@H]1COCCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103909 693607419 /nfs/dbraw/zinc/60/74/19/693607419.db2.gz PCCCIKJXROGMLQ-QAPCUYQASA-N 0 3 348.491 2.176 20 10 EECDHN O=C(c1ccc(O)c(O)c1[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001270067384 1184825262 /nfs/dbraw/zinc/82/52/62/1184825262.db2.gz HDTVJHUOCWMYBT-BETUJISGSA-N 0 3 332.400 2.035 20 10 EECDHN O=C(c1ccc(O)c(O)c1[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001270067384 1184825266 /nfs/dbraw/zinc/82/52/66/1184825266.db2.gz HDTVJHUOCWMYBT-BETUJISGSA-N 0 3 332.400 2.035 20 10 EECDHN CN(C)CCN(C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888589490 1197956491 /nfs/dbraw/zinc/95/64/91/1197956491.db2.gz KSKIODROSUEOSS-UHFFFAOYSA-N 0 3 338.415 2.422 20 10 EECDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000876731006 1199744483 /nfs/dbraw/zinc/74/44/83/1199744483.db2.gz NUMBZVWBMJHNGU-INIZCTEOSA-N 0 3 337.439 2.042 20 10 EECDHN COc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000877014497 1199844079 /nfs/dbraw/zinc/84/40/79/1199844079.db2.gz DBSRUSJZENNFEW-UHFFFAOYSA-N 0 3 327.428 2.341 20 10 EECDHN O[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877093866 1199861108 /nfs/dbraw/zinc/86/11/08/1199861108.db2.gz LMRQNHGOHCVAOM-RTWAWAEBSA-N 0 3 338.451 2.396 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2c(C)cccc2O)C1=O ZINC001274301559 1204990018 /nfs/dbraw/zinc/99/00/18/1204990018.db2.gz QVALTEDAANSDOR-LIRRHRJNSA-N 0 3 330.428 2.245 20 10 EECDHN COCCOCN1CC2(C1)CN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001276291736 1205870864 /nfs/dbraw/zinc/87/08/64/1205870864.db2.gz WEOXWWZEGODIOR-UHFFFAOYSA-N 0 3 348.487 2.428 20 10 EECDHN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924719282 1206023564 /nfs/dbraw/zinc/02/35/64/1206023564.db2.gz VKSHGZSIDGSEQE-PBHICJAKSA-N 0 3 344.459 2.220 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1[O-] ZINC000779052222 1208480324 /nfs/dbraw/zinc/48/03/24/1208480324.db2.gz ONATXZJBYYSVNJ-NHYWBVRUSA-N 0 3 343.265 2.180 20 10 EECDHN CCN1CCCN(C(=O)NCCCSc2nccs2)CC1 ZINC000159983054 1208519366 /nfs/dbraw/zinc/51/93/66/1208519366.db2.gz BGSBVEZVXLJEQY-UHFFFAOYSA-N 0 3 328.507 2.363 20 10 EECDHN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2c[nH]cn2)cc1 ZINC000900439254 1234355288 /nfs/dbraw/zinc/35/52/88/1234355288.db2.gz BNACIISPWFJUSE-GOSISDBHSA-N 0 3 342.443 2.226 20 10 EECDHN COc1cc(CNCc2ccc(C(N)=O)nc2)c(O)c(C(C)(C)C)c1 ZINC000850180582 1277081865 /nfs/dbraw/zinc/08/18/65/1277081865.db2.gz ZEBAFMLBOULEEH-UHFFFAOYSA-N 0 3 343.427 2.482 20 10 EECDHN CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(O)c(O)cc1O ZINC001273843380 1286698685 /nfs/dbraw/zinc/69/86/85/1286698685.db2.gz PVDQOLIHKQACAS-HUUCEWRRSA-N 0 3 346.427 2.335 20 10 EECDHN COc1cc(C(=O)N[C@H]2CC[C@@H](C)N(CCCF)C2)cc(OC)n1 ZINC001071645485 1294718192 /nfs/dbraw/zinc/71/81/92/1294718192.db2.gz JXBZOXATFWDWGI-OCCSQVGLSA-N 0 3 339.411 2.041 20 10 EECDHN CC(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(O)c1 ZINC001276814081 1298446254 /nfs/dbraw/zinc/44/62/54/1298446254.db2.gz DEJFJPNFPQIGQM-HDICACEKSA-N 0 3 345.487 2.252 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC(=O)N(C)C)c([O-])c1 ZINC001276814976 1298485141 /nfs/dbraw/zinc/48/51/41/1298485141.db2.gz MSINIKPPJFKRAS-ROUUACIJSA-N 0 3 345.487 2.252 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC(=O)N(C)C)c([O-])c1 ZINC001276814976 1298485148 /nfs/dbraw/zinc/48/51/48/1298485148.db2.gz MSINIKPPJFKRAS-ROUUACIJSA-N 0 3 345.487 2.252 20 10 EECDHN COc1ccc(N2CCC[C@]3(CCN(CC(=O)N(C)C)C3)C2)cc1F ZINC001277010922 1300802692 /nfs/dbraw/zinc/80/26/92/1300802692.db2.gz YTCABTLFDKVECI-LJQANCHMSA-N 0 3 349.450 2.215 20 10 EECDHN c1n[nH]cc1CN1CC[C@H]2[C@@H]1CCN2c1ccc2c(c1)OCCO2 ZINC001277014262 1300829787 /nfs/dbraw/zinc/82/97/87/1300829787.db2.gz NTINEIOQBZXBLG-HOTGVXAUSA-N 0 3 326.400 2.034 20 10 EECDHN O=C([O-])c1ccc(C[NH+]2CCC(N3CCC(F)CC3)CC2)c(O)c1 ZINC001231455626 1303804479 /nfs/dbraw/zinc/80/44/79/1303804479.db2.gz SCZNOBHEMSXSGK-UHFFFAOYSA-N 0 3 336.407 2.489 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](C(C)C)C1)cc2=O ZINC000781981976 1303916107 /nfs/dbraw/zinc/91/61/07/1303916107.db2.gz MWSZADOYDOZTMJ-CYBMUJFWSA-N 0 3 346.431 2.480 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1Br ZINC001233140538 1304373521 /nfs/dbraw/zinc/37/35/21/1304373521.db2.gz LOYXDIMZITZYAU-GXFFZTMASA-N 0 3 341.249 2.299 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1Br ZINC001233140538 1304373528 /nfs/dbraw/zinc/37/35/28/1304373528.db2.gz LOYXDIMZITZYAU-GXFFZTMASA-N 0 3 341.249 2.299 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(CCNC4=O)C3)c2c1 ZINC001234526062 1304953066 /nfs/dbraw/zinc/95/30/66/1304953066.db2.gz PNLMOURRTNZFDQ-LJQANCHMSA-N 0 3 326.396 2.266 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(CCNC4=O)C3)c2c1 ZINC001234526062 1304953068 /nfs/dbraw/zinc/95/30/68/1304953068.db2.gz PNLMOURRTNZFDQ-LJQANCHMSA-N 0 3 326.396 2.266 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4CNC(=O)[C@H]4C3)c2c1 ZINC001234562205 1304969063 /nfs/dbraw/zinc/96/90/63/1304969063.db2.gz KGIXBJBDFHECGM-BBRMVZONSA-N 0 3 326.396 2.122 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4CNC(=O)[C@H]4C3)c2c1 ZINC001234562205 1304969066 /nfs/dbraw/zinc/96/90/66/1304969066.db2.gz KGIXBJBDFHECGM-BBRMVZONSA-N 0 3 326.396 2.122 20 10 EECDHN CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C(=O)NC(C)C)[C@@H]3C2)c([O-])c1 ZINC001236785739 1305673566 /nfs/dbraw/zinc/67/35/66/1305673566.db2.gz BIRCKEAGSANHCW-KURKYZTESA-N 0 3 346.471 2.174 20 10 EECDHN CCc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)NC(C)C)[C@@H]3C2)c([O-])c1 ZINC001236785739 1305673578 /nfs/dbraw/zinc/67/35/78/1305673578.db2.gz BIRCKEAGSANHCW-KURKYZTESA-N 0 3 346.471 2.174 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C(C)=O)[C@H]3CC2)c([O-])c1 ZINC001237043073 1305776456 /nfs/dbraw/zinc/77/64/56/1305776456.db2.gz NHHDQGCWSXLITM-HKUYNNGSSA-N 0 3 348.443 2.003 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@@H]3OCCN(C(C)=O)[C@H]3CC2)c([O-])c1 ZINC001237043073 1305776460 /nfs/dbraw/zinc/77/64/60/1305776460.db2.gz NHHDQGCWSXLITM-HKUYNNGSSA-N 0 3 348.443 2.003 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001237486704 1305954802 /nfs/dbraw/zinc/95/48/02/1305954802.db2.gz SUGLADWVVATGGH-LJQANCHMSA-N 0 3 340.427 2.063 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001237486704 1305954812 /nfs/dbraw/zinc/95/48/12/1305954812.db2.gz SUGLADWVVATGGH-LJQANCHMSA-N 0 3 340.427 2.063 20 10 EECDHN CCN1CCN(c2ccc(CN3CCC(=O)[C@@H](F)CC3)cc2)CC1 ZINC001140302436 1314861743 /nfs/dbraw/zinc/86/17/43/1314861743.db2.gz RFOBECREKRDMNK-SFHVURJKSA-N 0 3 333.451 2.332 20 10 EECDHN CCO[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)[C@@H]2CCCO[C@H]12 ZINC001141142196 1315049098 /nfs/dbraw/zinc/04/90/98/1315049098.db2.gz JFCDCCMKHVCRMS-QRQLOZEOSA-N 0 3 332.444 2.284 20 10 EECDHN COC[C@@]1(CNCc2cccc(Br)c2[O-])CCC[NH2+]1 ZINC000841066704 1315466356 /nfs/dbraw/zinc/46/63/56/1315466356.db2.gz FJQYJQDOWZVKFX-AWEZNQCLSA-N 0 3 329.238 2.013 20 10 EECDHN COC[C@@]1(C[NH2+]Cc2cccc(Br)c2[O-])CCCN1 ZINC000841066704 1315466358 /nfs/dbraw/zinc/46/63/58/1315466358.db2.gz FJQYJQDOWZVKFX-AWEZNQCLSA-N 0 3 329.238 2.013 20 10 EECDHN COC1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000841687407 1315597406 /nfs/dbraw/zinc/59/74/06/1315597406.db2.gz HPEBHXBGABIIQI-CYBMUJFWSA-N 0 3 347.333 2.361 20 10 EECDHN COC1(C(F)(F)F)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000841687407 1315597407 /nfs/dbraw/zinc/59/74/07/1315597407.db2.gz HPEBHXBGABIIQI-CYBMUJFWSA-N 0 3 347.333 2.361 20 10 EECDHN O=S(=O)(NC1CCN(Cc2ccccc2O)CC1)C1CCCC1 ZINC001259806886 1319689326 /nfs/dbraw/zinc/68/93/26/1319689326.db2.gz ZNDGNNYQFGGBJE-UHFFFAOYSA-N 0 3 338.473 2.219 20 10 EECDHN COc1ccnc(O[C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203935319 1321995057 /nfs/dbraw/zinc/99/50/57/1321995057.db2.gz DHAITSOLRQCTNX-INIZCTEOSA-N 0 3 328.416 2.205 20 10 EECDHN O=C(c1ccco1)N1C[C@H]2CCCN(Cc3ccc(O)cc3O)[C@H]2C1 ZINC001204275013 1322101449 /nfs/dbraw/zinc/10/14/49/1322101449.db2.gz LKVITBBDOJKFCX-CJNGLKHVSA-N 0 3 342.395 2.427 20 10 EECDHN C[C@H]1CN(Cc2cccc(I)c2[O-])C[C@H]1C[NH3+] ZINC001205151641 1322298506 /nfs/dbraw/zinc/29/85/06/1322298506.db2.gz XTUFTGAYMQVYMH-GXSJLCMTSA-N 0 3 346.212 2.023 20 10 EECDHN CC(C)(C)c1cc([O-])c(CN2CCN(CC[NH3+])CC2)cc1Cl ZINC001210029630 1325133843 /nfs/dbraw/zinc/13/38/43/1325133843.db2.gz WFJAKCRFIWOIGM-UHFFFAOYSA-N 0 3 325.884 2.419 20 10 EECDHN CC(C)N1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001323286671 1333432241 /nfs/dbraw/zinc/43/22/41/1333432241.db2.gz YXFVSAAYGRDWOR-UHFFFAOYSA-N 0 3 334.483 2.104 20 10 EECDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337042840 1336635225 /nfs/dbraw/zinc/63/52/25/1336635225.db2.gz SXYSISGIGCDSCO-INIZCTEOSA-N 0 3 349.450 2.105 20 10 EECDHN CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469054 1349344828 /nfs/dbraw/zinc/34/48/28/1349344828.db2.gz XOHRDHAAIWNFIC-MRXNPFEDSA-N 0 3 344.463 2.345 20 10 EECDHN CCNC(=O)[C@@H]1CCCN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138340862 1372384803 /nfs/dbraw/zinc/38/48/03/1372384803.db2.gz DBTIZWXHSAVNBP-KRWDZBQOSA-N 0 3 343.471 2.192 20 10 EECDHN CCN(CC)c1ccc(CN2CC[C@H](N3CCOCC3)C2)c(OC)c1 ZINC001138389419 1372388843 /nfs/dbraw/zinc/38/88/43/1372388843.db2.gz OGUNGELKCHQNRR-IBGZPJMESA-N 0 3 347.503 2.448 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(C)CCC(=O)N2)c1[O-] ZINC000835061103 1372585227 /nfs/dbraw/zinc/58/52/27/1372585227.db2.gz PTVTUWFHUHUFMV-AWEZNQCLSA-N 0 3 327.222 2.221 20 10 EECDHN COc1ccc(N2CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC000106915461 777218012 /nfs/dbraw/zinc/21/80/12/777218012.db2.gz VCCFWCBVDYFIKA-GOSISDBHSA-N 0 3 333.476 2.366 20 10 EECDHN CNC(=O)C[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000825068689 788428474 /nfs/dbraw/zinc/42/84/74/788428474.db2.gz VZCZDGMOXZQEAD-CYBMUJFWSA-N 0 3 334.420 2.199 20 10 EECDHN c1cc(-c2noc(-c3nnsc3C3CC3)n2)nc2c1CNCC2 ZINC001212680438 797085183 /nfs/dbraw/zinc/08/51/83/797085183.db2.gz DYUSHXPPAKFFMQ-UHFFFAOYSA-N 0 3 326.385 2.173 20 10 EECDHN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000787420944 807108961 /nfs/dbraw/zinc/10/89/61/807108961.db2.gz NIIATHMCIYROTI-DZGCQCFKSA-N 0 3 336.407 2.046 20 10 EECDHN Cc1cc(C(=O)N[C@H]2COC3(CNC3)C2)c(C)n1-c1cccc(F)c1 ZINC001548571175 1124345064 /nfs/dbraw/zinc/34/50/64/1124345064.db2.gz PVKUCVRWDOHDLO-OAHLLOKOSA-N 0 3 343.402 2.094 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN(CCO)C2CCCCC2)cc1 ZINC000096980639 529779861 /nfs/dbraw/zinc/77/98/61/529779861.db2.gz LIDVWFCXEFFIKP-UHFFFAOYSA-N 0 3 347.503 2.338 20 10 EECDHN FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H]1CCOC1 ZINC000088683931 274906350 /nfs/dbraw/zinc/90/63/50/274906350.db2.gz TYHPPAWFUGKBLC-ZDUSSCGKSA-N 0 3 330.350 2.421 20 10 EECDHN COCCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000292833241 464356650 /nfs/dbraw/zinc/35/66/50/464356650.db2.gz OYVLFGRJVWGRPT-SFHVURJKSA-N 0 3 345.439 2.453 20 10 EECDHN COCCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000292833241 464356654 /nfs/dbraw/zinc/35/66/54/464356654.db2.gz OYVLFGRJVWGRPT-SFHVURJKSA-N 0 3 345.439 2.453 20 10 EECDHN CN(C)c1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000092009862 462917820 /nfs/dbraw/zinc/91/78/20/462917820.db2.gz QSJVYHOJIPTCIH-WMZOPIPTSA-N 0 3 328.460 2.432 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C)C[C@@H]1C)cc2=O ZINC000077319096 462968121 /nfs/dbraw/zinc/96/81/21/462968121.db2.gz GZYVQBDAPKYIOY-NEPJUHHUSA-N 0 3 332.404 2.232 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000186100481 463937387 /nfs/dbraw/zinc/93/73/87/463937387.db2.gz YTULFIXDRIJDMR-CYBMUJFWSA-N 0 3 338.473 2.308 20 10 EECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278475550 463966495 /nfs/dbraw/zinc/96/64/95/463966495.db2.gz OELLZUJMXSXINH-KGLIPLIRSA-N 0 3 330.432 2.454 20 10 EECDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186356458 463983979 /nfs/dbraw/zinc/98/39/79/463983979.db2.gz CJKHEAZWCNTCRA-WFASDCNBSA-N 0 3 326.412 2.359 20 10 EECDHN CCCOc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000289771586 464093602 /nfs/dbraw/zinc/09/36/02/464093602.db2.gz RGWQDXTYAXCSFU-NVXWUHKLSA-N 0 3 334.460 2.476 20 10 EECDHN CCCOc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000289771586 464093607 /nfs/dbraw/zinc/09/36/07/464093607.db2.gz RGWQDXTYAXCSFU-NVXWUHKLSA-N 0 3 334.460 2.476 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1OC ZINC000289869987 464098487 /nfs/dbraw/zinc/09/84/87/464098487.db2.gz VSCPPCSBNJCOPD-RYUDHWBXSA-N 0 3 349.349 2.402 20 10 EECDHN CNS(=O)(=O)CCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000187184069 464103914 /nfs/dbraw/zinc/10/39/14/464103914.db2.gz CXKNCCIAIGPBOJ-HNNXBMFYSA-N 0 3 339.505 2.267 20 10 EECDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1CCOc1ccccc1 ZINC000174467914 464410701 /nfs/dbraw/zinc/41/07/01/464410701.db2.gz BUBKAPKIVWHZGS-INIZCTEOSA-N 0 3 326.396 2.162 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1C ZINC000284978687 464414034 /nfs/dbraw/zinc/41/40/34/464414034.db2.gz DNDFWTSYFBPNPI-OAHLLOKOSA-N 0 3 340.489 2.112 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1C ZINC000284978687 464414037 /nfs/dbraw/zinc/41/40/37/464414037.db2.gz DNDFWTSYFBPNPI-OAHLLOKOSA-N 0 3 340.489 2.112 20 10 EECDHN Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c1[O-] ZINC000271982869 464435528 /nfs/dbraw/zinc/43/55/28/464435528.db2.gz NMYVIFLEJNWMDI-UHFFFAOYSA-N 0 3 325.412 2.490 20 10 EECDHN CO[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000281609755 464520344 /nfs/dbraw/zinc/52/03/44/464520344.db2.gz GMDRPFJTFKOAAH-QAPCUYQASA-N 0 3 333.476 2.210 20 10 EECDHN COc1ccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1C ZINC000285437838 464564722 /nfs/dbraw/zinc/56/47/22/464564722.db2.gz HVTATLJMNAMEGX-OAHLLOKOSA-N 0 3 338.473 2.050 20 10 EECDHN CN(C)c1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000182683977 464709809 /nfs/dbraw/zinc/70/98/09/464709809.db2.gz LUTLIKPPQWLWQK-HOCLYGCPSA-N 0 3 328.453 2.337 20 10 EECDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2Cc2ccc(N(C)C)cc2)O1 ZINC000282437717 464819044 /nfs/dbraw/zinc/81/90/44/464819044.db2.gz KUAOJSQLPSNOEE-LIRZEXBASA-N 0 3 332.444 2.436 20 10 EECDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000268090907 464950048 /nfs/dbraw/zinc/95/00/48/464950048.db2.gz AGFAESWFXFNUIB-RDTXWAMCSA-N 0 3 342.487 2.351 20 10 EECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000368052157 466572868 /nfs/dbraw/zinc/57/28/68/466572868.db2.gz UAESRPOUBXTSPT-OAHLLOKOSA-N 0 3 333.432 2.171 20 10 EECDHN Cc1cccc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1[O-] ZINC000377672894 467111801 /nfs/dbraw/zinc/11/18/01/467111801.db2.gz HUTHKQORGDTMTF-UHFFFAOYSA-N 0 3 341.411 2.238 20 10 EECDHN CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000092304161 528369321 /nfs/dbraw/zinc/36/93/21/528369321.db2.gz ZNSSEULKCDSJDP-CQSZACIVSA-N 0 3 334.441 2.059 20 10 EECDHN CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000092304161 528369328 /nfs/dbraw/zinc/36/93/28/528369328.db2.gz ZNSSEULKCDSJDP-CQSZACIVSA-N 0 3 334.441 2.059 20 10 EECDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC[C@H]1CCCO1 ZINC000733613159 577250176 /nfs/dbraw/zinc/25/01/76/577250176.db2.gz AMJYTPYQRGXJDE-QGZVFWFLSA-N 0 3 332.444 2.432 20 10 EECDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC[C@H]1CCCO1 ZINC000733613159 577250177 /nfs/dbraw/zinc/25/01/77/577250177.db2.gz AMJYTPYQRGXJDE-QGZVFWFLSA-N 0 3 332.444 2.432 20 10 EECDHN COc1cc(O)c(CN[C@H](C(=O)N2CCCC2)C(C)C)cc1OC ZINC000776177895 577453843 /nfs/dbraw/zinc/45/38/43/577453843.db2.gz VPGLQAPZMZGHOG-KRWDZBQOSA-N 0 3 336.432 2.146 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc1OC ZINC000776177895 577453844 /nfs/dbraw/zinc/45/38/44/577453844.db2.gz VPGLQAPZMZGHOG-KRWDZBQOSA-N 0 3 336.432 2.146 20 10 EECDHN COCCN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776238470 577455463 /nfs/dbraw/zinc/45/54/63/577455463.db2.gz OEMDVCLOQFUZSQ-HNNXBMFYSA-N 0 3 336.480 2.033 20 10 EECDHN C[C@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765410084 577500465 /nfs/dbraw/zinc/50/04/65/577500465.db2.gz QYORJLGGTQHGHN-ZDUSSCGKSA-N 0 3 327.494 2.121 20 10 EECDHN COc1ccccc1OCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440855 577555619 /nfs/dbraw/zinc/55/56/19/577555619.db2.gz AIGXEXQQKCGCJU-MRXNPFEDSA-N 0 3 345.395 2.337 20 10 EECDHN COc1ccccc1OCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440855 577555620 /nfs/dbraw/zinc/55/56/20/577555620.db2.gz AIGXEXQQKCGCJU-MRXNPFEDSA-N 0 3 345.395 2.337 20 10 EECDHN [O-]c1cc2c(cc1CN1CC[NH+](C3CCCCC3)CC1)[C@H](O)CO2 ZINC000768463755 577556483 /nfs/dbraw/zinc/55/64/83/577556483.db2.gz WPVWJNQBMJGRMF-GOSISDBHSA-N 0 3 332.444 2.268 20 10 EECDHN Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000756836394 577850904 /nfs/dbraw/zinc/85/09/04/577850904.db2.gz AGKARUCANRVKDP-DVOMOZLQSA-N 0 3 328.416 2.279 20 10 EECDHN CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000747815729 577950564 /nfs/dbraw/zinc/95/05/64/577950564.db2.gz MKJZWYNVTMQAME-CVEARBPZSA-N 0 3 333.476 2.429 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)N(C)C)cc1 ZINC000891242361 676231819 /nfs/dbraw/zinc/23/18/19/676231819.db2.gz FQJVNPDAPGZTRA-QYZOEREBSA-N 0 3 345.487 2.287 20 10 EECDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCCO1 ZINC000891242370 676231938 /nfs/dbraw/zinc/23/19/38/676231938.db2.gz FRIDTVLKDIUXSJ-WBAXXEDZSA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCCCO2)N(C)C)cc1 ZINC000891252449 676248456 /nfs/dbraw/zinc/24/84/56/676248456.db2.gz LTGXKUHRDUIXDT-QZTJIDSGSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCCCO2)N(C)C)cc1 ZINC000891252651 676248519 /nfs/dbraw/zinc/24/85/19/676248519.db2.gz LTGXKUHRDUIXDT-ZWKOTPCHSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NOCC2CCC2)N(C)C)cc1 ZINC000895896295 684771076 /nfs/dbraw/zinc/77/10/76/684771076.db2.gz BPFFPDLFCPSMOH-KRWDZBQOSA-N 0 3 334.464 2.386 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccn(C)c2)N(C)C)cc1 ZINC000893410220 686895360 /nfs/dbraw/zinc/89/53/60/686895360.db2.gz ZEYQCDHRGKOKBZ-GOSISDBHSA-N 0 3 343.475 2.193 20 10 EECDHN C[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCCO1 ZINC000899100694 693612737 /nfs/dbraw/zinc/61/27/37/693612737.db2.gz BRKLZZCFMOLLBT-MAUKXSAKSA-N 0 3 348.491 2.176 20 10 EECDHN CCCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000171679860 1194985466 /nfs/dbraw/zinc/98/54/66/1194985466.db2.gz WOQAKKFKLYPXIO-UHFFFAOYSA-N 0 3 331.460 2.218 20 10 EECDHN Cn1ncc2c1CCCN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877588240 1199974038 /nfs/dbraw/zinc/97/40/38/1199974038.db2.gz YGRFBOJFUVGZLK-UHFFFAOYSA-N 0 3 340.471 2.330 20 10 EECDHN Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4ccc(C)cc4[O-])[C@@H]3C2)n(C)n1 ZINC001276169754 1205811933 /nfs/dbraw/zinc/81/19/33/1205811933.db2.gz VVOZEGDVXJCKMV-QFBILLFUSA-N 0 3 340.471 2.449 20 10 EECDHN Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccc(C)cc4[O-])[C@@H]3C2)n(C)n1 ZINC001276169754 1205811935 /nfs/dbraw/zinc/81/19/35/1205811935.db2.gz VVOZEGDVXJCKMV-QFBILLFUSA-N 0 3 340.471 2.449 20 10 EECDHN C/C(=C\C(=O)N1C[C@H](CN(C)C)Oc2ccccc21)c1cnccn1 ZINC000827096742 1249874583 /nfs/dbraw/zinc/87/45/83/1249874583.db2.gz ZWAAYSYFYMRPKG-IPJDOKCGSA-N 0 3 338.411 2.236 20 10 EECDHN O=C1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2C(=O)N1Cc1ccccc1 ZINC000826889792 1248113107 /nfs/dbraw/zinc/11/31/07/1248113107.db2.gz YUNQOPKJEVVQAM-CALCHBBNSA-N 0 3 336.391 2.009 20 10 EECDHN O=C1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2C(=O)N1Cc1ccccc1 ZINC000826889792 1248113108 /nfs/dbraw/zinc/11/31/08/1248113108.db2.gz YUNQOPKJEVVQAM-CALCHBBNSA-N 0 3 336.391 2.009 20 10 EECDHN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2cc(OC)c(O)cc2O)C1=O ZINC001273787783 1285864335 /nfs/dbraw/zinc/86/43/35/1285864335.db2.gz DYOSKOFSFKUTCI-DJJJIMSYSA-N 0 3 348.443 2.472 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c1[O-] ZINC000858602085 1294164378 /nfs/dbraw/zinc/16/43/78/1294164378.db2.gz PUSKTESHAWOPRG-AAEUAGOBSA-N 0 3 343.265 2.180 20 10 EECDHN O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CC[C@@H]4NCCO[C@@H]34)ccc21 ZINC001218127684 1297579775 /nfs/dbraw/zinc/57/97/75/1297579775.db2.gz AFIZJEIXOLGCIX-WAOWUJCRSA-N 0 3 349.386 2.360 20 10 EECDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC[NH2+]C[C@H]1F ZINC001220212435 1298304483 /nfs/dbraw/zinc/30/44/83/1298304483.db2.gz JUAFHRBMEGUELP-DGCLKSJQSA-N 0 3 337.782 2.158 20 10 EECDHN O=C([C@H]1CCSC12CN(Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446710 1303083328 /nfs/dbraw/zinc/08/33/28/1303083328.db2.gz SSUREKYVDWMSSK-OAHLLOKOSA-N 0 3 330.453 2.098 20 10 EECDHN CCN(CC)c1ccc(CN2CC3(C2)SCC[C@@H]3C(N)=O)c(O)c1 ZINC001277534210 1303849777 /nfs/dbraw/zinc/84/97/77/1303849777.db2.gz RSOKPRGWEDFJMZ-OAHLLOKOSA-N 0 3 349.500 2.031 20 10 EECDHN COC(=O)c1c(CN2C[C@H](C)[C@@H](C(=O)OC)C2)c2ccccc2n1C ZINC001232410898 1304112692 /nfs/dbraw/zinc/11/26/92/1304112692.db2.gz VBRZVNYJHMLOKS-JSGCOSHPSA-N 0 3 344.411 2.206 20 10 EECDHN CCn1ncc2c1[C@H](COC)CN(Cc1ccc(N(C)C)cc1O)C2 ZINC001232838596 1304265754 /nfs/dbraw/zinc/26/57/54/1304265754.db2.gz LOMWMYXFTASKIT-INIZCTEOSA-N 0 3 344.459 2.420 20 10 EECDHN COc1ccc(CCN(C)Cc2cc(O)c(O)c(O)c2)cc1OC ZINC001233009976 1304326709 /nfs/dbraw/zinc/32/67/09/1304326709.db2.gz FYNJGANNWKUCEE-UHFFFAOYSA-N 0 3 333.384 2.495 20 10 EECDHN COc1cc(O)c(CN2CC(N3CCCC3)C2)cc1Br ZINC001233140181 1304373722 /nfs/dbraw/zinc/37/37/22/1304373722.db2.gz YTJRUAUWIFUGMF-UHFFFAOYSA-N 0 3 341.249 2.443 20 10 EECDHN COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001236201371 1305532589 /nfs/dbraw/zinc/53/25/89/1305532589.db2.gz MJOQQANASGAYMB-RDJZCZTQSA-N 0 3 326.396 2.134 20 10 EECDHN COC[C@@H]1Cn2nccc2CN(Cc2c(C)cc(OC)cc2O)C1 ZINC001236811738 1305685818 /nfs/dbraw/zinc/68/58/18/1305685818.db2.gz SSEAJHBGBMNQQJ-AWEZNQCLSA-N 0 3 331.416 2.184 20 10 EECDHN CC(C)(C)[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C[C@@H](O)CO ZINC001237118108 1305802006 /nfs/dbraw/zinc/80/20/06/1305802006.db2.gz UZBLFCOBUSHLPW-SNVBAGLBSA-N 0 3 337.338 2.245 20 10 EECDHN CC(C)(C)[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C[C@@H](O)CO ZINC001237118108 1305802026 /nfs/dbraw/zinc/80/20/26/1305802026.db2.gz UZBLFCOBUSHLPW-SNVBAGLBSA-N 0 3 337.338 2.245 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001237640879 1306020540 /nfs/dbraw/zinc/02/05/40/1306020540.db2.gz HOALUXYWDGAZKV-BEFAXECRSA-N 0 3 331.387 2.373 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001237640879 1306020552 /nfs/dbraw/zinc/02/05/52/1306020552.db2.gz HOALUXYWDGAZKV-BEFAXECRSA-N 0 3 331.387 2.373 20 10 EECDHN COc1cc(CN2CCC[C@H](c3noc(C)n3)C2)c(O)c(OC)c1 ZINC001237675425 1306041182 /nfs/dbraw/zinc/04/11/82/1306041182.db2.gz XHCFBZVWINQTCL-LBPRGKRZSA-N 0 3 333.388 2.480 20 10 EECDHN CNC(=O)C1(NCc2ccc(N3CCC(OC)CC3)cc2)CCCC1 ZINC000828306980 1314450632 /nfs/dbraw/zinc/45/06/32/1314450632.db2.gz TXSAJQOYVBIHMC-UHFFFAOYSA-N 0 3 345.487 2.450 20 10 EECDHN Nc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000832658907 1314691972 /nfs/dbraw/zinc/69/19/72/1314691972.db2.gz HFKSULNOVYCYCP-GOSISDBHSA-N 0 3 338.455 2.235 20 10 EECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001140053927 1314805727 /nfs/dbraw/zinc/80/57/27/1314805727.db2.gz FEDMBRGXDDKYGE-UKRRQHHQSA-N 0 3 328.391 2.280 20 10 EECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001140053927 1314805730 /nfs/dbraw/zinc/80/57/30/1314805730.db2.gz FEDMBRGXDDKYGE-UKRRQHHQSA-N 0 3 328.391 2.280 20 10 EECDHN CCN1CCN(c2ccc(CN3CCC[C@]3(C)C(=O)OC)cc2)CC1 ZINC001140302100 1314860567 /nfs/dbraw/zinc/86/05/67/1314860567.db2.gz JTVZYGYMZGCTQQ-HXUWFJFHSA-N 0 3 345.487 2.356 20 10 EECDHN Fc1cc(N2CCOCC2)ccc1CN1CCN2CCCC[C@H]2C1 ZINC001140661377 1314923848 /nfs/dbraw/zinc/92/38/48/1314923848.db2.gz CCVMHTKQBHZWJT-SFHVURJKSA-N 0 3 333.451 2.332 20 10 EECDHN C[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H](C)CN1 ZINC000841849531 1315622595 /nfs/dbraw/zinc/62/25/95/1315622595.db2.gz ZLALBEZKHGQLFP-NEPJUHHUSA-N 0 3 330.457 2.139 20 10 EECDHN COc1cccc(CN2CC[C@H](Oc3ncccc3OC)C2)c1O ZINC001203601915 1321920745 /nfs/dbraw/zinc/92/07/45/1321920745.db2.gz QQRLNNQJDNAUGN-AWEZNQCLSA-N 0 3 330.384 2.458 20 10 EECDHN COC(=O)[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@H]1c1ccccc1 ZINC001203884597 1321982387 /nfs/dbraw/zinc/98/23/87/1321982387.db2.gz VKTQTRYXMRYGPB-JKSUJKDBSA-N 0 3 327.380 2.486 20 10 EECDHN COc1cnc(O[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203935599 1321994781 /nfs/dbraw/zinc/99/47/81/1321994781.db2.gz AATVCFCLACHXDD-MRXNPFEDSA-N 0 3 328.416 2.205 20 10 EECDHN O=C(c1ccccc1)N1C[C@@H]2C[NH+](Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001204273258 1322099052 /nfs/dbraw/zinc/09/90/52/1322099052.db2.gz MBNWQLGRTSBMHP-IRXDYDNUSA-N 0 3 338.407 2.302 20 10 EECDHN C[N@H+](Cc1ccc(O)cc1[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001204277348 1322101976 /nfs/dbraw/zinc/10/19/76/1322101976.db2.gz AYSOYKLHXTVRRD-FOLVSLTJSA-N 0 3 334.416 2.395 20 10 EECDHN C[N@@H+](Cc1ccc(O)cc1[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001204277348 1322101980 /nfs/dbraw/zinc/10/19/80/1322101980.db2.gz AYSOYKLHXTVRRD-FOLVSLTJSA-N 0 3 334.416 2.395 20 10 EECDHN C[NH+](C)CCN1CC2(C1)CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001276498231 1323633089 /nfs/dbraw/zinc/63/30/89/1323633089.db2.gz SWZVBPIAQBJMOR-UHFFFAOYSA-N 0 3 343.393 2.090 20 10 EECDHN CN1CCN(c2ccc(CN3CC([C@@H]4CCOC4)C3)cc2F)CC1 ZINC001321042475 1333004606 /nfs/dbraw/zinc/00/46/06/1333004606.db2.gz IGZNSFQSZKWRII-MRXNPFEDSA-N 0 3 333.451 2.046 20 10 EECDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCNC[C@@H]2F)c1 ZINC001579589567 1344397581 /nfs/dbraw/zinc/39/75/81/1344397581.db2.gz KBEWYVUSKPJWBU-ROUUACIJSA-N 0 3 343.402 2.336 20 10 EECDHN CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](N3CCOC3=O)C2)c1 ZINC000853540143 1369348797 /nfs/dbraw/zinc/34/87/97/1369348797.db2.gz FRLNZPWSJFSQDH-AWEZNQCLSA-N 0 3 334.416 2.422 20 10 EECDHN Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccc(O)c(C)c4O)C[C@H]3O2)n1 ZINC001140744944 1372661408 /nfs/dbraw/zinc/66/14/08/1372661408.db2.gz PZSXEMHTKNWFHO-APHBMKBZSA-N 0 3 345.399 2.450 20 10 EECDHN COCCN1C(=O)CCC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001140950171 1372726010 /nfs/dbraw/zinc/72/60/10/1372726010.db2.gz TUKYWCFJXCPMDS-UHFFFAOYSA-N 0 3 332.444 2.304 20 10 EECDHN CCCS(=O)(=O)NC1CCN(Cc2cccc(CC)c2O)CC1 ZINC000848882011 1373191821 /nfs/dbraw/zinc/19/18/21/1373191821.db2.gz WVPCGKFVMWAHCR-UHFFFAOYSA-N 0 3 340.489 2.248 20 10 EECDHN COc1cc(CN2CCCN(C(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824650752 788256268 /nfs/dbraw/zinc/25/62/68/788256268.db2.gz WFWWJIMAVDTURI-UHFFFAOYSA-N 0 3 335.448 2.285 20 10 EECDHN COCCN(C)CCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825108652 788440646 /nfs/dbraw/zinc/44/06/46/788440646.db2.gz XVYMLNLSOAGDEB-UHFFFAOYSA-N 0 3 331.254 2.213 20 10 EECDHN CCCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000171679071 463905149 /nfs/dbraw/zinc/90/51/49/463905149.db2.gz WEOOELKFRNLLQX-UHFFFAOYSA-N 0 3 349.450 2.153 20 10 EECDHN CC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280295758 464197028 /nfs/dbraw/zinc/19/70/28/464197028.db2.gz ZMYOSWDVJPTIER-UKRRQHHQSA-N 0 3 326.462 2.165 20 10 EECDHN C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000179879659 464202259 /nfs/dbraw/zinc/20/22/59/464202259.db2.gz PVALBECMDMJKAG-MAUKXSAKSA-N 0 3 326.440 2.462 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1[O-] ZINC000281013454 464299775 /nfs/dbraw/zinc/29/97/75/464299775.db2.gz YTIJRUJBDPRHLS-AAEUAGOBSA-N 0 3 344.249 2.198 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cc1OC ZINC000284720744 464310149 /nfs/dbraw/zinc/31/01/49/464310149.db2.gz UWXBBXKYRSIURN-KBXCAEBGSA-N 0 3 330.384 2.424 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c([O-])c1 ZINC000189158168 464447133 /nfs/dbraw/zinc/44/71/33/464447133.db2.gz AURNDIZPVZTBOJ-CQSZACIVSA-N 0 3 349.452 2.317 20 10 EECDHN CCN(Cc1cc(Br)cc(C)c1O)[C@H]1CCNC1=O ZINC000281794291 464588816 /nfs/dbraw/zinc/58/88/16/464588816.db2.gz OITVKASTAXJBQP-LBPRGKRZSA-N 0 3 327.222 2.174 20 10 EECDHN COc1ccc([O-])c(C[NH2+]CCCN2C(=O)COc3ccccc32)c1 ZINC000182493519 464668059 /nfs/dbraw/zinc/66/80/59/464668059.db2.gz TVJDYVRIJHKEBT-UHFFFAOYSA-N 0 3 342.395 2.306 20 10 EECDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000273486972 464717796 /nfs/dbraw/zinc/71/77/96/464717796.db2.gz NNTDLKIQJFDRHZ-KGLIPLIRSA-N 0 3 330.432 2.413 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000273601771 464721534 /nfs/dbraw/zinc/72/15/34/464721534.db2.gz SBUYLJBXMFTERG-WBVHZDCISA-N 0 3 333.476 2.294 20 10 EECDHN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000275602345 464780561 /nfs/dbraw/zinc/78/05/61/464780561.db2.gz QKUGUKPIVKMNSO-GUYCJALGSA-N 0 3 347.415 2.246 20 10 EECDHN C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000183407787 464862028 /nfs/dbraw/zinc/86/20/28/464862028.db2.gz JDSFBYWRTJDQOE-INIZCTEOSA-N 0 3 341.459 2.045 20 10 EECDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000300403809 465890177 /nfs/dbraw/zinc/89/01/77/465890177.db2.gz FASHVKNWZWXECV-UONOGXRCSA-N 0 3 341.249 2.108 20 10 EECDHN Cc1c2ccccc2n(C)c1CNC[C@H](O)COC1CCOCC1 ZINC000569804350 468545751 /nfs/dbraw/zinc/54/57/51/468545751.db2.gz PBVOYLRQUYRZIJ-HNNXBMFYSA-N 0 3 332.444 2.133 20 10 EECDHN CC[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000090017853 529207376 /nfs/dbraw/zinc/20/73/76/529207376.db2.gz HMPUTLGOYZIWQA-MSOLQXFVSA-N 0 3 341.459 2.332 20 10 EECDHN Cn1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1=O ZINC000731844900 577127563 /nfs/dbraw/zinc/12/75/63/577127563.db2.gz QRFPEFJQUUGZSZ-KRWDZBQOSA-N 0 3 328.412 2.272 20 10 EECDHN Cn1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1=O ZINC000731844900 577127565 /nfs/dbraw/zinc/12/75/65/577127565.db2.gz QRFPEFJQUUGZSZ-KRWDZBQOSA-N 0 3 328.412 2.272 20 10 EECDHN COc1ccc(N2CCC(NC(=O)NCCN(C)C3CC3)CC2)cc1 ZINC000732886158 577196262 /nfs/dbraw/zinc/19/62/62/577196262.db2.gz CPPMJNOIMNTSCB-UHFFFAOYSA-N 0 3 346.475 2.057 20 10 EECDHN COc1cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c([O-])cc1C ZINC000777564366 577481791 /nfs/dbraw/zinc/48/17/91/577481791.db2.gz NEONKIJSHXWSFX-LLVKDONJSA-N 0 3 346.349 2.210 20 10 EECDHN COc1cc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c([O-])cc1C ZINC000777564366 577481792 /nfs/dbraw/zinc/48/17/92/577481792.db2.gz NEONKIJSHXWSFX-LLVKDONJSA-N 0 3 346.349 2.210 20 10 EECDHN CCN1C[C@H](C)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000766255310 577516004 /nfs/dbraw/zinc/51/60/04/577516004.db2.gz VXYOTUMUYNHSDM-IRXDYDNUSA-N 0 3 346.519 2.126 20 10 EECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c([O-])c1 ZINC000770332657 577594009 /nfs/dbraw/zinc/59/40/09/577594009.db2.gz PLELMOUAIDBAIM-CRAIPNDOSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c([O-])c1 ZINC000770332657 577594010 /nfs/dbraw/zinc/59/40/10/577594010.db2.gz PLELMOUAIDBAIM-CRAIPNDOSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c([O-])c1 ZINC000770353273 577594410 /nfs/dbraw/zinc/59/44/10/577594410.db2.gz ZDEJSIPKJCYZDC-KVSKMBFKSA-N 0 3 334.460 2.474 20 10 EECDHN Cc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000762716265 577706399 /nfs/dbraw/zinc/70/63/99/577706399.db2.gz KKNRCWKEOIMLCF-IBGZPJMESA-N 0 3 345.418 2.030 20 10 EECDHN CCN1CCN(CCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756408704 577843636 /nfs/dbraw/zinc/84/36/36/577843636.db2.gz RJWQOKANIDUQCU-ZDUSSCGKSA-N 0 3 327.419 2.349 20 10 EECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@@H](C)c3c1c([O-])ccc3F)CC2 ZINC000756756092 577849844 /nfs/dbraw/zinc/84/98/44/577849844.db2.gz DXROLWIMCWYNFL-WZRBSPASSA-N 0 3 346.406 2.422 20 10 EECDHN CN(C)[C@@H](CNC(=O)NCc1ccccc1O)Cc1ccccc1 ZINC000748463653 577962376 /nfs/dbraw/zinc/96/23/76/577962376.db2.gz ZZPCTQBWQBAVPC-QGZVFWFLSA-N 0 3 327.428 2.364 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000740882420 578108625 /nfs/dbraw/zinc/10/86/25/578108625.db2.gz IRDGSAVFJOGVHL-CVEARBPZSA-N 0 3 331.460 2.074 20 10 EECDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)nn1 ZINC000891248709 676244881 /nfs/dbraw/zinc/24/48/81/676244881.db2.gz NDSKDQSHYLXQPE-SFHVURJKSA-N 0 3 341.459 2.192 20 10 EECDHN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(=O)[nH]1 ZINC000891255236 676252573 /nfs/dbraw/zinc/25/25/73/676252573.db2.gz NYAFNXKTXOFKGR-QGZVFWFLSA-N 0 3 342.443 2.194 20 10 EECDHN COCC[N@H+](CCN(C)C)Cc1cc(Br)cc(F)c1[O-] ZINC000894769777 683076336 /nfs/dbraw/zinc/07/63/36/683076336.db2.gz JTGPDOAEQWTNFI-UHFFFAOYSA-N 0 3 349.244 2.304 20 10 EECDHN COCC[N@@H+](CCN(C)C)Cc1cc(Br)cc(F)c1[O-] ZINC000894769777 683076340 /nfs/dbraw/zinc/07/63/40/683076340.db2.gz JTGPDOAEQWTNFI-UHFFFAOYSA-N 0 3 349.244 2.304 20 10 EECDHN COc1cc(Br)cc(CN[C@H](C)c2n[nH]c(C)n2)c1O ZINC000894771831 683076912 /nfs/dbraw/zinc/07/69/12/683076912.db2.gz XTQOZJVWQOCQDD-SSDOTTSWSA-N 0 3 341.209 2.441 20 10 EECDHN COc1ccc(CN(CCO)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000896035269 684810691 /nfs/dbraw/zinc/81/06/91/684810691.db2.gz RKBAIAXPUSULQX-UHFFFAOYSA-N 0 3 347.411 2.413 20 10 EECDHN COC[C@H]1CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098686 693611471 /nfs/dbraw/zinc/61/14/71/693611471.db2.gz RBBIXWXCRALATD-QZTJIDSGSA-N 0 3 348.491 2.176 20 10 EECDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000842227395 1188569765 /nfs/dbraw/zinc/56/97/65/1188569765.db2.gz UVENAMOCNSUNEL-HUUCEWRRSA-N 0 3 334.382 2.383 20 10 EECDHN CCC[N@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000876654466 1199711013 /nfs/dbraw/zinc/71/10/13/1199711013.db2.gz GSYGXHDRHUCWOA-UHFFFAOYSA-N 0 3 334.441 2.452 20 10 EECDHN CCC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000876654466 1199711018 /nfs/dbraw/zinc/71/10/18/1199711018.db2.gz GSYGXHDRHUCWOA-UHFFFAOYSA-N 0 3 334.441 2.452 20 10 EECDHN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877147678 1199870085 /nfs/dbraw/zinc/87/00/85/1199870085.db2.gz ZJZRKLMXPBDCPJ-GJZGRUSLSA-N 0 3 333.476 2.041 20 10 EECDHN OC1CCN(c2ccc(CN3CCC[C@H](n4ccnn4)C3)cc2)CC1 ZINC000877597708 1199976508 /nfs/dbraw/zinc/97/65/08/1199976508.db2.gz VTWRXERGRZDSLM-SFHVURJKSA-N 0 3 341.459 2.076 20 10 EECDHN Cc1c(O)ccc(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c1O ZINC001276118138 1205782177 /nfs/dbraw/zinc/78/21/77/1205782177.db2.gz PHOKSGHBSQMNDQ-CALCHBBNSA-N 0 3 332.444 2.234 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1)[C@H](O)CO2 ZINC000795718798 1215014753 /nfs/dbraw/zinc/01/47/53/1215014753.db2.gz NJXMHLBFPMYDGB-UKRRQHHQSA-N 0 3 347.333 2.097 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1)[C@H](O)CO2 ZINC000795718798 1215014755 /nfs/dbraw/zinc/01/47/55/1215014755.db2.gz NJXMHLBFPMYDGB-UKRRQHHQSA-N 0 3 347.333 2.097 20 10 EECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnn1CCN(C)C ZINC000900400451 1234318030 /nfs/dbraw/zinc/31/80/30/1234318030.db2.gz NXGIEPSKEAPHEL-UHFFFAOYSA-N 0 3 343.475 2.173 20 10 EECDHN CCN(C)c1ccc([C@H](C)NCCS(=O)(=O)N2CCCC2)cc1 ZINC000903291413 1240188646 /nfs/dbraw/zinc/18/86/46/1240188646.db2.gz YTIGADKGQPFBOC-HNNXBMFYSA-N 0 3 339.505 2.219 20 10 EECDHN COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000826796661 1248071474 /nfs/dbraw/zinc/07/14/74/1248071474.db2.gz MOKUWOXKTMOXOD-KRWDZBQOSA-N 0 3 349.402 2.250 20 10 EECDHN COc1ccc(N2CCN(CCCNCc3nc(C)c[nH]3)CC2)cc1 ZINC000850013907 1276991892 /nfs/dbraw/zinc/99/18/92/1276991892.db2.gz RCDIZDGPJMLVLB-UHFFFAOYSA-N 0 3 343.475 2.029 20 10 EECDHN CN(C)c1ncc(CNCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850405965 1277215825 /nfs/dbraw/zinc/21/58/25/1277215825.db2.gz LZEDMMLZWCQDMG-UHFFFAOYSA-N 0 3 346.500 2.460 20 10 EECDHN Oc1ccc(Br)cc1CN1CCNC[C@@H]1C(F)(F)F ZINC001236976302 1305757991 /nfs/dbraw/zinc/75/79/91/1305757991.db2.gz PEYPGJPITJCHGJ-LLVKDONJSA-N 0 3 339.155 2.491 20 10 EECDHN CCC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000107911276 1290778741 /nfs/dbraw/zinc/77/87/41/1290778741.db2.gz FPDKTLYTPOILLD-UHFFFAOYSA-N 0 3 348.468 2.494 20 10 EECDHN CCC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000107911276 1290778743 /nfs/dbraw/zinc/77/87/43/1290778743.db2.gz FPDKTLYTPOILLD-UHFFFAOYSA-N 0 3 348.468 2.494 20 10 EECDHN CC(C)CN1CCO[C@H](CNCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858087459 1294001724 /nfs/dbraw/zinc/00/17/24/1294001724.db2.gz GDOUJCGFXVEBMN-OAHLLOKOSA-N 0 3 341.446 2.477 20 10 EECDHN O=C1c2cccc(O[C@H]3CCNC[C@H]3F)c2C(=O)c2cccc(O)c21 ZINC001218065282 1297561564 /nfs/dbraw/zinc/56/15/64/1297561564.db2.gz FBSOATSWXKHSFQ-OCCSQVGLSA-N 0 3 341.338 2.246 20 10 EECDHN CCO[C@@H]1C[C@H]2CN(Cc3cc(Cl)c(OC)cc3[O-])CC[N@@H+]2C1 ZINC001232266154 1304058245 /nfs/dbraw/zinc/05/82/45/1304058245.db2.gz UCXCJTUIRSQMPN-UONOGXRCSA-N 0 3 340.851 2.349 20 10 EECDHN CCO[C@@H]1C[C@H]2CN(Cc3cc(Cl)c(OC)cc3[O-])CC[N@H+]2C1 ZINC001232266154 1304058246 /nfs/dbraw/zinc/05/82/46/1304058246.db2.gz UCXCJTUIRSQMPN-UONOGXRCSA-N 0 3 340.851 2.349 20 10 EECDHN CCOC(=O)c1c(CN(C)CCC(=O)N(C)C)c2ccccc2n1C ZINC001233273129 1304412816 /nfs/dbraw/zinc/41/28/16/1304412816.db2.gz PEGBUURFUFKZCP-UHFFFAOYSA-N 0 3 345.443 2.265 20 10 EECDHN COCCCN1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290007 1304417673 /nfs/dbraw/zinc/41/76/73/1304417673.db2.gz CMNQHDFRKLPFEV-UHFFFAOYSA-N 0 3 328.840 2.208 20 10 EECDHN CC(C)(C)c1cc([O-])c(CN2CCNC[C@]23CC[NH2+]C3)cc1Cl ZINC001234989640 1305076980 /nfs/dbraw/zinc/07/69/80/1305076980.db2.gz AZYSXTVDIRAPKO-GOSISDBHSA-N 0 3 337.895 2.480 20 10 EECDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(OC)c(Br)cc1O ZINC001236751895 1305657875 /nfs/dbraw/zinc/65/78/75/1305657875.db2.gz ZIWUMPPYIYRUHO-RYUDHWBXSA-N 0 3 341.249 2.442 20 10 EECDHN CC[N@H+](CCC(=O)OC)Cc1cc(O)c(Br)cc1[O-] ZINC001236761144 1305662480 /nfs/dbraw/zinc/66/24/80/1305662480.db2.gz ANCCYXLCFLAIRA-UHFFFAOYSA-N 0 3 332.194 2.245 20 10 EECDHN CC[N@@H+](CCC(=O)OC)Cc1cc(O)c(Br)cc1[O-] ZINC001236761144 1305662489 /nfs/dbraw/zinc/66/24/89/1305662489.db2.gz ANCCYXLCFLAIRA-UHFFFAOYSA-N 0 3 332.194 2.245 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC001237071143 1305787705 /nfs/dbraw/zinc/78/77/05/1305787705.db2.gz QVSLBBCWUIVFNE-PHIMTYICSA-N 0 3 341.249 2.442 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC001237071143 1305787715 /nfs/dbraw/zinc/78/77/15/1305787715.db2.gz QVSLBBCWUIVFNE-PHIMTYICSA-N 0 3 341.249 2.442 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1C[C@H]2CN(C(=O)c3cccnc3)C[C@@H]2C1 ZINC001237489085 1305956600 /nfs/dbraw/zinc/95/66/00/1305956600.db2.gz VCTOCJXTACNVCG-IRXDYDNUSA-N 0 3 337.423 2.300 20 10 EECDHN COc1cc(CN2C[C@@H]3COC[C@H](C2)C3(F)F)c(O)c(OC)c1 ZINC001237678038 1306041653 /nfs/dbraw/zinc/04/16/53/1306041653.db2.gz JJUYPRMAYJWPLP-TXEJJXNPSA-N 0 3 329.343 2.123 20 10 EECDHN O=C(Nc1nnco1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001278248777 1308912230 /nfs/dbraw/zinc/91/22/30/1308912230.db2.gz OWQIWNCJRYPWCF-KTJYFRGRSA-N 0 3 346.362 2.057 20 10 EECDHN COc1ncc(-c2nccc3c2ccn3C)cc1NS(C)(=O)=O ZINC001244791275 1309989233 /nfs/dbraw/zinc/98/92/33/1309989233.db2.gz ZANDSZDJMQPVNP-UHFFFAOYSA-N 0 3 332.385 2.015 20 10 EECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(N3CCOCC3)CCSC1)CC2 ZINC000834533873 1314847830 /nfs/dbraw/zinc/84/78/30/1314847830.db2.gz AZCHRHAFYJXWJW-YJBOKZPZSA-N 0 3 334.485 2.177 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)c([O-])c1 ZINC001140950431 1314994806 /nfs/dbraw/zinc/99/48/06/1314994806.db2.gz SYJSYTHAPTVVPP-ROUUACIJSA-N 0 3 337.423 2.186 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)c([O-])c1 ZINC001140950431 1314994807 /nfs/dbraw/zinc/99/48/07/1314994807.db2.gz SYJSYTHAPTVVPP-ROUUACIJSA-N 0 3 337.423 2.186 20 10 EECDHN COCC(COC)N1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000840170834 1315315766 /nfs/dbraw/zinc/31/57/66/1315315766.db2.gz ANNHFLLTIDKGEW-UHFFFAOYSA-N 0 3 344.455 2.324 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001249201012 1317021685 /nfs/dbraw/zinc/02/16/85/1317021685.db2.gz ASSAMOSHOOVVAE-OAHLLOKOSA-N 0 3 349.427 2.271 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001249201012 1317021695 /nfs/dbraw/zinc/02/16/95/1317021695.db2.gz ASSAMOSHOOVVAE-OAHLLOKOSA-N 0 3 349.427 2.271 20 10 EECDHN CN(C)c1ccc(CNC[C@](C)(O)C(=O)OCc2ccccc2)cc1 ZINC001253658812 1317907336 /nfs/dbraw/zinc/90/73/36/1317907336.db2.gz RFNFESPZVFHQPM-FQEVSTJZSA-N 0 3 342.439 2.337 20 10 EECDHN O=C1N(Cc2cccnc2)CC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203553051 1321910931 /nfs/dbraw/zinc/91/09/31/1321910931.db2.gz ZNUGCRNNMLETDD-HXUWFJFHSA-N 0 3 337.423 2.412 20 10 EECDHN O=C1N(Cc2cccnc2)CC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203553051 1321910934 /nfs/dbraw/zinc/91/09/34/1321910934.db2.gz ZNUGCRNNMLETDD-HXUWFJFHSA-N 0 3 337.423 2.412 20 10 EECDHN COc1ccc(O)c(CN2CCC[C@@H](Oc3nccc(OC)n3)C2)c1 ZINC001203684033 1321940287 /nfs/dbraw/zinc/94/02/87/1321940287.db2.gz KAQDBCRPGAMLRJ-OAHLLOKOSA-N 0 3 345.399 2.243 20 10 EECDHN COc1cc([O-])c(CN2C[C@H](F)C[C@H]([NH3+])C2)cc1Br ZINC001206435099 1323492200 /nfs/dbraw/zinc/49/22/00/1323492200.db2.gz JRDTTXHIJXPIFU-ZJUUUORDSA-N 0 3 333.201 2.034 20 10 EECDHN COc1ccc(N2CCN(C[C@@H]3CCCC[C@@H]3O)CC2)c(OC)c1 ZINC001308014214 1331558267 /nfs/dbraw/zinc/55/82/67/1331558267.db2.gz KTWHEAFPMULWAR-YJBOKZPZSA-N 0 3 334.460 2.377 20 10 EECDHN Cc1cnc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC001333582096 1336079709 /nfs/dbraw/zinc/07/97/09/1336079709.db2.gz ZXYRQSSAHMEYMS-INIZCTEOSA-N 0 3 346.500 2.479 20 10 EECDHN CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465624 1349341143 /nfs/dbraw/zinc/34/11/43/1349341143.db2.gz HMTFGIZMDUFGPA-MRXNPFEDSA-N 0 3 344.463 2.487 20 10 EECDHN CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465624 1349341148 /nfs/dbraw/zinc/34/11/48/1349341148.db2.gz HMTFGIZMDUFGPA-MRXNPFEDSA-N 0 3 344.463 2.487 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@]2(C)CCOC2)N(C)C)cc1 ZINC001121911103 1371933202 /nfs/dbraw/zinc/93/32/02/1371933202.db2.gz RHAHTCFVHIYLBZ-IEBWSBKVSA-N 0 3 348.491 2.081 20 10 EECDHN C[C@@H]1CCN(CC(=O)NCCC2=CCN(c3cccc(F)n3)CC2)C1 ZINC001089864192 782403012 /nfs/dbraw/zinc/40/30/12/782403012.db2.gz RREYYRATPKFWHZ-OAHLLOKOSA-N 0 3 346.450 2.205 20 10 EECDHN C[S@](=O)C[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000154717963 769075910 /nfs/dbraw/zinc/07/59/10/769075910.db2.gz JZWPUTMZNXTHAL-LFVRLGFBSA-N 0 3 333.409 2.330 20 10 EECDHN Cc1[nH]cnc1CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089838270 777531860 /nfs/dbraw/zinc/53/18/60/777531860.db2.gz NHSGBABYABBKRO-UHFFFAOYSA-N 0 3 343.406 2.138 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1[O-] ZINC000816666874 784180337 /nfs/dbraw/zinc/18/03/37/784180337.db2.gz XUCDXAYTOCTALR-DLBZAZTESA-N 0 3 341.835 2.464 20 10 EECDHN CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NCCF ZINC000996693496 787155823 /nfs/dbraw/zinc/15/58/23/787155823.db2.gz YIQXGNTVSMYILM-CYBMUJFWSA-N 0 3 335.383 2.259 20 10 EECDHN Oc1cc(O)c(CN2CC3(CCN3Cc3ccccc3)C2)c(O)c1 ZINC001144509350 789909419 /nfs/dbraw/zinc/90/94/19/789909419.db2.gz UIABRRABVVJYRK-UHFFFAOYSA-N 0 3 326.396 2.264 20 10 EECDHN C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1CCCF ZINC001089069911 792074955 /nfs/dbraw/zinc/07/49/55/792074955.db2.gz FNODAOHSLBGJCR-RISCZKNCSA-N 0 3 335.383 2.401 20 10 EECDHN CN(C)Cc1ccccc1N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001173929507 797657372 /nfs/dbraw/zinc/65/73/72/797657372.db2.gz GPRWIZQSSPYRDT-UHFFFAOYSA-N 0 3 333.457 2.297 20 10 EECDHN Cc1cc([O-])c(C[N@@H+](C)C[C@H](O)COCCOC(C)C)cc1C ZINC000092473377 237034628 /nfs/dbraw/zinc/03/46/28/237034628.db2.gz QIJLXAQGYNDUSM-KRWDZBQOSA-N 0 3 325.449 2.243 20 10 EECDHN Cc1cc([O-])c(C[N@H+](C)C[C@H](O)COCCOC(C)C)cc1C ZINC000092473377 237034636 /nfs/dbraw/zinc/03/46/36/237034636.db2.gz QIJLXAQGYNDUSM-KRWDZBQOSA-N 0 3 325.449 2.243 20 10 EECDHN CC(=O)c1cccc(OC[C@@H](O)CN(C)Cc2ccccc2O)c1 ZINC000121137781 463085482 /nfs/dbraw/zinc/08/54/82/463085482.db2.gz UMVYREWDOGPWPO-KRWDZBQOSA-N 0 3 329.396 2.467 20 10 EECDHN COc1ccc(N2CCC(NC(=O)NC3CCN(C)CC3)CC2)cc1 ZINC000069592967 463283217 /nfs/dbraw/zinc/28/32/17/463283217.db2.gz BRXAWOUJCOKECD-UHFFFAOYSA-N 0 3 346.475 2.057 20 10 EECDHN [O-]c1ccccc1C[N@H+](CCCN1CCOCC1)C[C@@H]1CCCO1 ZINC000072629259 463526872 /nfs/dbraw/zinc/52/68/72/463526872.db2.gz PQIPVPZUQQUEDB-SFHVURJKSA-N 0 3 334.460 2.096 20 10 EECDHN [O-]c1ccccc1C[N@@H+](CCCN1CCOCC1)C[C@@H]1CCCO1 ZINC000072629259 463526877 /nfs/dbraw/zinc/52/68/77/463526877.db2.gz PQIPVPZUQQUEDB-SFHVURJKSA-N 0 3 334.460 2.096 20 10 EECDHN C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000268884186 463794895 /nfs/dbraw/zinc/79/48/95/463794895.db2.gz KVIYYDOHDDEZNK-KDOFPFPSSA-N 0 3 341.459 2.332 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c([O-])c1 ZINC000186082343 463933771 /nfs/dbraw/zinc/93/37/71/463933771.db2.gz QCTLIPIHHOXDNE-ZFWWWQNUSA-N 0 3 328.416 2.280 20 10 EECDHN COc1ccc(N2CCN(CCCN[C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000283843070 464029487 /nfs/dbraw/zinc/02/94/87/464029487.db2.gz AYZDQQUGTKOXHE-MRXNPFEDSA-N 0 3 343.475 2.281 20 10 EECDHN CN(C)c1ccc(CN2CC[C@@](C)(C(N)=O)C2)c(C(F)(F)F)c1 ZINC000280124945 464189596 /nfs/dbraw/zinc/18/95/96/464189596.db2.gz BZYDMWDOZVWKSP-OAHLLOKOSA-N 0 3 329.366 2.469 20 10 EECDHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236782361 464225620 /nfs/dbraw/zinc/22/56/20/464225620.db2.gz WLLAYODUFAFMDA-DOMZBBRYSA-N 0 3 341.402 2.356 20 10 EECDHN CN1CC=C(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000272047492 464460358 /nfs/dbraw/zinc/46/03/58/464460358.db2.gz FMNVMHQHYBXENP-UHFFFAOYSA-N 0 3 326.444 2.124 20 10 EECDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1c(C)cc(C)cc1[O-])CC2 ZINC000285197962 464483699 /nfs/dbraw/zinc/48/36/99/464483699.db2.gz NZVIUVJEWDVUKV-KBPBESRZSA-N 0 3 330.432 2.413 20 10 EECDHN CCOc1cccc(CNC[C@H](N2CCOCC2)C(F)(F)F)c1O ZINC000285508593 464589620 /nfs/dbraw/zinc/58/96/20/464589620.db2.gz NXBMBJHTSQBXRX-AWEZNQCLSA-N 0 3 348.365 2.144 20 10 EECDHN Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([O-])c1O ZINC000182855690 464744528 /nfs/dbraw/zinc/74/45/28/464744528.db2.gz LELIACZMTZZKTA-BBRMVZONSA-N 0 3 330.428 2.495 20 10 EECDHN Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([O-])c1O ZINC000182855690 464744534 /nfs/dbraw/zinc/74/45/34/464744534.db2.gz LELIACZMTZZKTA-BBRMVZONSA-N 0 3 330.428 2.495 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000359955364 465511988 /nfs/dbraw/zinc/51/19/88/465511988.db2.gz HTWYGYDTVDOSQF-CJNGLKHVSA-N 0 3 327.808 2.482 20 10 EECDHN Cc1cc(C(=O)NC2CCN(Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000371410530 465778410 /nfs/dbraw/zinc/77/84/10/465778410.db2.gz FNMZLCXDMVQMQW-UHFFFAOYSA-N 0 3 342.443 2.443 20 10 EECDHN COc1c([O-])c(C[N@@H+]2C[C@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000377696809 467118875 /nfs/dbraw/zinc/11/88/75/467118875.db2.gz NOQLQFRHVRNMBK-GXTWGEPZSA-N 0 3 335.404 2.368 20 10 EECDHN COc1c([O-])c(C[N@H+]2C[C@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000377696809 467118879 /nfs/dbraw/zinc/11/88/79/467118879.db2.gz NOQLQFRHVRNMBK-GXTWGEPZSA-N 0 3 335.404 2.368 20 10 EECDHN CN(C)c1ccc(CN2CCN([C@@H]3CCCN(C)C3)CC2)cc1F ZINC000378353516 467274762 /nfs/dbraw/zinc/27/47/62/467274762.db2.gz GBHIEJOSBLWWHS-QGZVFWFLSA-N 0 3 334.483 2.104 20 10 EECDHN CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc([O-])cs3)CC2)CC1 ZINC000771676756 577225557 /nfs/dbraw/zinc/22/55/57/577225557.db2.gz NPQYFDIUFWMMBS-UHFFFAOYSA-N 0 3 337.489 2.084 20 10 EECDHN COc1c([O-])c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910096 577422950 /nfs/dbraw/zinc/42/29/50/577422950.db2.gz QCJOFYUCSCRQIP-CQSZACIVSA-N 0 3 349.431 2.473 20 10 EECDHN COc1c([O-])c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910096 577422952 /nfs/dbraw/zinc/42/29/52/577422952.db2.gz QCJOFYUCSCRQIP-CQSZACIVSA-N 0 3 349.431 2.473 20 10 EECDHN C[C@@H](NCC(=O)NCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000775260332 577433859 /nfs/dbraw/zinc/43/38/59/577433859.db2.gz OKUFANSNBZHEKT-OAHLLOKOSA-N 0 3 331.460 2.090 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000777722877 577485409 /nfs/dbraw/zinc/48/54/09/577485409.db2.gz WQSQZYUZICXUTJ-SGMGOOAPSA-N 0 3 327.446 2.407 20 10 EECDHN C[C@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CCN1C ZINC000759586294 577646058 /nfs/dbraw/zinc/64/60/58/577646058.db2.gz YVUWOKRVKSMRLH-RYUDHWBXSA-N 0 3 328.507 2.407 20 10 EECDHN C[NH+]1CCN(c2ccc(CNCc3ccc(C(=O)[O-])o3)cc2)CC1 ZINC000756285875 577841477 /nfs/dbraw/zinc/84/14/77/577841477.db2.gz QUDUXDGDGLEHJO-UHFFFAOYSA-N 0 3 329.400 2.019 20 10 EECDHN CCO[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891245998 676239446 /nfs/dbraw/zinc/23/94/46/676239446.db2.gz LICPXJXZQCKJTK-ZWKOTPCHSA-N 0 3 333.476 2.287 20 10 EECDHN COC1(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891247414 676241710 /nfs/dbraw/zinc/24/17/10/676241710.db2.gz HBMMAKQLIRZKEP-QGZVFWFLSA-N 0 3 333.476 2.431 20 10 EECDHN C[C@@H]1COCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247542 676241916 /nfs/dbraw/zinc/24/19/16/676241916.db2.gz IDEXQXFBHYWNKX-FHLIZLRMSA-N 0 3 333.476 2.144 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ncccc2F)N(C)C)cc1 ZINC000891248157 676243357 /nfs/dbraw/zinc/24/33/57/676243357.db2.gz WKBNQGVKQRRRTJ-INIZCTEOSA-N 0 3 330.407 2.319 20 10 EECDHN CCc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cnn1C ZINC000891250538 676245356 /nfs/dbraw/zinc/24/53/56/676245356.db2.gz ATUPIMZNFPBQFV-SFHVURJKSA-N 0 3 343.475 2.081 20 10 EECDHN COC(=O)C[C@@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250592 676245409 /nfs/dbraw/zinc/24/54/09/676245409.db2.gz XTAXHOOEEJLXEO-YOEHRIQHSA-N 0 3 349.475 2.061 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CC[C@@H]2CCCO2)N(C)C)cc1 ZINC000891256002 676252042 /nfs/dbraw/zinc/25/20/42/676252042.db2.gz VEBNYMJDLQULJP-ROUUACIJSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CC[C@H]2CCCO2)N(C)C)cc1 ZINC000891256000 676252086 /nfs/dbraw/zinc/25/20/86/676252086.db2.gz VEBNYMJDLQULJP-MSOLQXFVSA-N 0 3 333.476 2.431 20 10 EECDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000893135159 683832400 /nfs/dbraw/zinc/83/24/00/683832400.db2.gz LWQGXNHYNYPHHF-OALUTQOASA-N 0 3 340.471 2.441 20 10 EECDHN CC(C)(C)OC(=O)N1CC(N2CCN(Cc3ccccc3O)CC2)C1 ZINC000897908086 691819664 /nfs/dbraw/zinc/81/96/64/691819664.db2.gz PUXGCXJTFQKRHH-UHFFFAOYSA-N 0 3 347.459 2.129 20 10 EECDHN C[C@@H]1OCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C ZINC000899101325 693605656 /nfs/dbraw/zinc/60/56/56/693605656.db2.gz IWZBSYPZZYQNPS-RLFYNMQTSA-N 0 3 348.491 2.174 20 10 EECDHN COC[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098685 693611555 /nfs/dbraw/zinc/61/15/55/693611555.db2.gz RBBIXWXCRALATD-MSOLQXFVSA-N 0 3 348.491 2.176 20 10 EECDHN CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000702587172 1196020997 /nfs/dbraw/zinc/02/09/97/1196020997.db2.gz LUHCARNIEQKYEY-ZFWWWQNUSA-N 0 3 343.265 2.262 20 10 EECDHN COc1ccc(N2CCCN(C(=O)CN(C)C3CCC3)CC2)cc1 ZINC000863859952 1197904581 /nfs/dbraw/zinc/90/45/81/1197904581.db2.gz COZKPXAASXFWIU-UHFFFAOYSA-N 0 3 331.460 2.218 20 10 EECDHN Cc1c(CN2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c2ccccc2n1C ZINC001273310796 1198021561 /nfs/dbraw/zinc/02/15/61/1198021561.db2.gz ZCTNGFMMZFFCPR-HXUWFJFHSA-N 0 3 339.439 2.458 20 10 EECDHN CC(C)CC[C@H](N)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000876740658 1199751052 /nfs/dbraw/zinc/75/10/52/1199751052.db2.gz KQTRYCJSFOASMZ-YJBOKZPZSA-N 0 3 333.476 2.464 20 10 EECDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](N)CCC(C)C)C2)cc1 ZINC000876931842 1199821259 /nfs/dbraw/zinc/82/12/59/1199821259.db2.gz XBAUJUNRXPJRQF-MAUKXSAKSA-N 0 3 333.476 2.401 20 10 EECDHN CO[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000877028224 1199848566 /nfs/dbraw/zinc/84/85/66/1199848566.db2.gz WOPCWKJCRWGKMM-HNNXBMFYSA-N 0 3 332.366 2.315 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000877476170 1199940898 /nfs/dbraw/zinc/94/08/98/1199940898.db2.gz XELQEBSSAFRJLD-UHFFFAOYSA-N 0 3 340.489 2.383 20 10 EECDHN Cc1cc(C(=O)Cn2cc([C@H](C)N)nn2)c(C)n1-c1ccc(F)cn1 ZINC000881357544 1201684290 /nfs/dbraw/zinc/68/42/90/1201684290.db2.gz VADMCPAGOKRZEO-NSHDSACASA-N 0 3 342.378 2.122 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CCCC[C@@]12CC(=O)N(C1COC1)C2 ZINC001274304320 1204991735 /nfs/dbraw/zinc/99/17/35/1204991735.db2.gz RYZZRZFSSLIRKD-IBGZPJMESA-N 0 3 330.428 2.056 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CCCC[C@@]12CC(=O)N(C1COC1)C2 ZINC001274304320 1204991737 /nfs/dbraw/zinc/99/17/37/1204991737.db2.gz RYZZRZFSSLIRKD-IBGZPJMESA-N 0 3 330.428 2.056 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CCCC[C@]12CC(=O)N(C1COC1)C2 ZINC001274304321 1204991751 /nfs/dbraw/zinc/99/17/51/1204991751.db2.gz RYZZRZFSSLIRKD-LJQANCHMSA-N 0 3 330.428 2.056 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CCCC[C@]12CC(=O)N(C1COC1)C2 ZINC001274304321 1204991754 /nfs/dbraw/zinc/99/17/54/1204991754.db2.gz RYZZRZFSSLIRKD-LJQANCHMSA-N 0 3 330.428 2.056 20 10 EECDHN CCn1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000929374289 1206469508 /nfs/dbraw/zinc/46/95/08/1206469508.db2.gz DFWYBKXDLXDOAX-QGZVFWFLSA-N 0 3 344.463 2.393 20 10 EECDHN Cc1nccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000930836142 1206586719 /nfs/dbraw/zinc/58/67/19/1206586719.db2.gz FICQWFSXTXXGTK-INIZCTEOSA-N 0 3 342.447 2.275 20 10 EECDHN C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000801735912 1236111198 /nfs/dbraw/zinc/11/11/98/1236111198.db2.gz ZIYXJMSMIXQQCP-CQSZACIVSA-N 0 3 334.441 2.239 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccccn2)N(C)C)cc1 ZINC000891425437 1276600677 /nfs/dbraw/zinc/60/06/77/1276600677.db2.gz CFWULPMQXDFIBJ-SFHVURJKSA-N 0 3 341.459 2.250 20 10 EECDHN CCN(C)c1ccc(CN2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000815142129 1278064049 /nfs/dbraw/zinc/06/40/49/1278064049.db2.gz NPZWIBIPLDXCNT-GOSISDBHSA-N 0 3 329.448 2.064 20 10 EECDHN CN(C)Cc1cccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)c1 ZINC001201396514 1289534166 /nfs/dbraw/zinc/53/41/66/1289534166.db2.gz RTADBROFRHFXBO-UHFFFAOYSA-N 0 3 333.457 2.297 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1[O-] ZINC000858548839 1294151190 /nfs/dbraw/zinc/15/11/90/1294151190.db2.gz PUSKTESHAWOPRG-DGCLKSJQSA-N 0 3 343.265 2.180 20 10 EECDHN COc1cc(C(=O)N[C@H]2CC[C@H](C)N(CCCF)C2)cc(OC)n1 ZINC001071645484 1294717785 /nfs/dbraw/zinc/71/77/85/1294717785.db2.gz JXBZOXATFWDWGI-JSGCOSHPSA-N 0 3 339.411 2.041 20 10 EECDHN COc1ccc2c(c1O[C@@H]1CNC[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001217998213 1297543948 /nfs/dbraw/zinc/54/39/48/1297543948.db2.gz KJEYHONHDCLDDI-DZGCQCFKSA-N 0 3 341.338 2.159 20 10 EECDHN COc1ccc(N2CCC[C@@]3(CCN(CC(=O)N(C)C)C3)C2)c(C)c1 ZINC001277018086 1300880863 /nfs/dbraw/zinc/88/08/63/1300880863.db2.gz BFIVQTDQCKDDRT-FQEVSTJZSA-N 0 3 345.487 2.384 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@H]1CCSC12CN(Cc1ccccc1O)C2 ZINC001277440784 1303027306 /nfs/dbraw/zinc/02/73/06/1303027306.db2.gz DZFTUCOTXMJVLE-CQSZACIVSA-N 0 3 344.440 2.062 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC2(CCNC(=O)O2)CC1 ZINC001231854142 1303932118 /nfs/dbraw/zinc/93/21/18/1303932118.db2.gz AAOHIHUMTGBSMV-UHFFFAOYSA-N 0 3 333.432 2.226 20 10 EECDHN O=C1C[C@@H]2[C@H](CCN2Cc2cc(O)c(O)cc2O)N1c1ccsc1 ZINC001233484723 1304477372 /nfs/dbraw/zinc/47/73/72/1304477372.db2.gz VINAHTMWCGRHBC-QWHCGFSZSA-N 0 3 346.408 2.245 20 10 EECDHN CC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000796766100 1304575794 /nfs/dbraw/zinc/57/57/94/1304575794.db2.gz SQXDJDDLKRWRPS-BBRMVZONSA-N 0 3 337.439 2.159 20 10 EECDHN Oc1cccc(OC(F)(F)F)c1CN1CCC2(C[C@@H](O)CO2)CC1 ZINC001237115705 1305799405 /nfs/dbraw/zinc/79/94/05/1305799405.db2.gz HQSWOOGLYSTUFG-LLVKDONJSA-N 0 3 347.333 2.407 20 10 EECDHN O=C1CC2(CN1)CCN(Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237120406 1305801237 /nfs/dbraw/zinc/80/12/37/1305801237.db2.gz OYUVJXCMQWQWRK-UHFFFAOYSA-N 0 3 344.333 2.393 20 10 EECDHN COCCN1C(=O)CCC12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC001237489816 1305956454 /nfs/dbraw/zinc/95/64/54/1305956454.db2.gz KZQSHKBQIGILCO-UHFFFAOYSA-N 0 3 332.444 2.304 20 10 EECDHN COC1CCN(c2ccc(CN3CC[C@@H](n4cncn4)C3)cc2)CC1 ZINC000828978770 1314483431 /nfs/dbraw/zinc/48/34/31/1314483431.db2.gz GIRAQWHSBJFZSI-GOSISDBHSA-N 0 3 341.459 2.340 20 10 EECDHN Oc1c(CN2CCN(C3CC3)CC2)cc2c3c1CCCN3CCC2 ZINC001138338925 1314602579 /nfs/dbraw/zinc/60/25/79/1314602579.db2.gz WDKJKYKHMKKNJC-UHFFFAOYSA-N 0 3 327.472 2.371 20 10 EECDHN CCN1CCN(c2ccc(CN3Cc4cnn(C)c4C3)cc2)CC1 ZINC001140304492 1314862516 /nfs/dbraw/zinc/86/25/16/1314862516.db2.gz RFPNABODHRIRPK-UHFFFAOYSA-N 0 3 325.460 2.078 20 10 EECDHN COc1ccc(N2CCC(NC(=O)N3CCN[C@H](C)[C@H]3C)CC2)cc1 ZINC000841779822 1315611834 /nfs/dbraw/zinc/61/18/34/1315611834.db2.gz ZNEUVGVTZCAVAF-HUUCEWRRSA-N 0 3 346.475 2.056 20 10 EECDHN [NH3+][C@H](Cc1nc(-c2ccc(-n3cccn3)nc2)no1)c1ccccc1[O-] ZINC001249338927 1317056888 /nfs/dbraw/zinc/05/68/88/1317056888.db2.gz KFERXKOVJUEYQE-CQSZACIVSA-N 0 3 348.366 2.265 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@H]2COC)c([O-])c1 ZINC001249743929 1317162527 /nfs/dbraw/zinc/16/25/27/1317162527.db2.gz PTQVNJXDFXGIAW-OAHLLOKOSA-N 0 3 337.416 2.335 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@@H]2COC)c([O-])c1 ZINC001249743929 1317162533 /nfs/dbraw/zinc/16/25/33/1317162533.db2.gz PTQVNJXDFXGIAW-OAHLLOKOSA-N 0 3 337.416 2.335 20 10 EECDHN CCOC(=O)CCCOc1ccc(CN2CC[C@@H]2COC)c(O)c1 ZINC001249743929 1317162538 /nfs/dbraw/zinc/16/25/38/1317162538.db2.gz PTQVNJXDFXGIAW-OAHLLOKOSA-N 0 3 337.416 2.335 20 10 EECDHN Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4[O-])C[C@@H]3C2)cn1 ZINC001203551953 1321910391 /nfs/dbraw/zinc/91/03/91/1321910391.db2.gz UTCJLHALVKVSFS-AEFFLSMTSA-N 0 3 326.444 2.080 20 10 EECDHN Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4[O-])C[C@@H]3C2)cn1 ZINC001203551953 1321910392 /nfs/dbraw/zinc/91/03/92/1321910392.db2.gz UTCJLHALVKVSFS-AEFFLSMTSA-N 0 3 326.444 2.080 20 10 EECDHN COc1cc([O-])c(CN2CC[C@@H](C)[C@@H]([NH3+])C2)cc1Br ZINC001205880488 1323329809 /nfs/dbraw/zinc/32/98/09/1323329809.db2.gz JLCBDKDRSRAMFP-SKDRFNHKSA-N 0 3 329.238 2.332 20 10 EECDHN CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]Cc2ccccc2[O-])C1 ZINC000705017888 1323768884 /nfs/dbraw/zinc/76/88/84/1323768884.db2.gz OIWBZCNLTNIOQT-GOSISDBHSA-N 0 3 336.432 2.244 20 10 EECDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001580707511 1344552547 /nfs/dbraw/zinc/55/25/47/1344552547.db2.gz CKCJNGWUHKRSDG-RHSMWYFYSA-N 0 3 343.402 2.476 20 10 EECDHN CCc1nocc1CNCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000815118788 1367807802 /nfs/dbraw/zinc/80/78/02/1367807802.db2.gz LNVWESAUYWZGHS-UHFFFAOYSA-N 0 3 344.459 2.157 20 10 EECDHN CN(C)c1ccc(CNCC2(CS(C)(=O)=O)CCC2)cc1F ZINC000840974710 783362560 /nfs/dbraw/zinc/36/25/60/783362560.db2.gz FLDHGQUCNASSGG-UHFFFAOYSA-N 0 3 328.453 2.196 20 10 EECDHN C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000817981991 785131540 /nfs/dbraw/zinc/13/15/40/785131540.db2.gz OZAXVBZZXYEHLG-ZJUUUORDSA-N 0 3 347.228 2.323 20 10 EECDHN C[C@@H](NCc1cnc2n1CCOC2)c1ccc(N2CCOCC2)cc1 ZINC000921591696 789793397 /nfs/dbraw/zinc/79/33/97/789793397.db2.gz KIEZLIPPWQMXSK-OAHLLOKOSA-N 0 3 342.443 2.101 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(C(N)=O)c1 ZINC000073753956 801966921 /nfs/dbraw/zinc/96/69/21/801966921.db2.gz JGONHVMJIDQNLL-UHFFFAOYSA-N 0 3 339.439 2.254 20 10 EECDHN CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808676067 812809688 /nfs/dbraw/zinc/80/96/88/812809688.db2.gz BYBSQDVZBDTTQH-CYBMUJFWSA-N 0 3 339.867 2.169 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](CC)C1)cc2=O ZINC000052644347 463097800 /nfs/dbraw/zinc/09/78/00/463097800.db2.gz GGYGHUPAJGKEOD-LBPRGKRZSA-N 0 3 332.404 2.234 20 10 EECDHN CN(C)Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC000122369327 463258782 /nfs/dbraw/zinc/25/87/82/463258782.db2.gz VTHHQHJDOOTDNS-UHFFFAOYSA-N 0 3 341.411 2.051 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCN3)cc2F)C[C@H](C)O1 ZINC000269260839 463931889 /nfs/dbraw/zinc/93/18/89/463931889.db2.gz WHPHSBTVZCZHTH-VBQJREDUSA-N 0 3 349.450 2.198 20 10 EECDHN C[C@H]1CN(CC2CCN(C(=O)Cc3ccc(N)cc3)CC2)C[C@H](C)O1 ZINC000237603720 464347117 /nfs/dbraw/zinc/34/71/17/464347117.db2.gz MMRIHJMZOQOZQC-HOTGVXAUSA-N 0 3 345.487 2.159 20 10 EECDHN CCN(CC)c1ccc(CN2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000293673797 464416615 /nfs/dbraw/zinc/41/66/15/464416615.db2.gz PCWAKGGFTOOAOY-IBGZPJMESA-N 0 3 343.475 2.454 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1ccccc1)cc2=O ZINC000181359094 464477987 /nfs/dbraw/zinc/47/79/87/464477987.db2.gz AYIPILCBHATIBJ-GFCCVEGCSA-N 0 3 340.383 2.462 20 10 EECDHN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000285773366 464690198 /nfs/dbraw/zinc/69/01/98/464690198.db2.gz DNPMKFZPFPMXKB-LRDDRELGSA-N 0 3 336.407 2.029 20 10 EECDHN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000285773366 464690204 /nfs/dbraw/zinc/69/02/04/464690204.db2.gz DNPMKFZPFPMXKB-LRDDRELGSA-N 0 3 336.407 2.029 20 10 EECDHN Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([O-])c1O ZINC000182855649 464744059 /nfs/dbraw/zinc/74/40/59/464744059.db2.gz LELIACZMTZZKTA-CJNGLKHVSA-N 0 3 330.428 2.495 20 10 EECDHN Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([O-])c1O ZINC000182855649 464744068 /nfs/dbraw/zinc/74/40/68/464744068.db2.gz LELIACZMTZZKTA-CJNGLKHVSA-N 0 3 330.428 2.495 20 10 EECDHN CN(C)c1ccc(C[NH2+]C[C@@]([O-])(c2nccn2C)C(F)(F)F)cc1 ZINC000299319073 465695705 /nfs/dbraw/zinc/69/57/05/465695705.db2.gz HSHNEPFFICRUEA-OAHLLOKOSA-N 0 3 342.365 2.026 20 10 EECDHN CCOc1cccc(CN[C@@H]2CCCc3c2cnn3CCO)c1O ZINC000324407753 466646906 /nfs/dbraw/zinc/64/69/06/466646906.db2.gz UYCSTANIQOHTFR-OAHLLOKOSA-N 0 3 331.416 2.147 20 10 EECDHN CCN(C)c1ccc([C@@H](C)NC[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000090799433 527870449 /nfs/dbraw/zinc/87/04/49/527870449.db2.gz SHQFLGCKVBOUFO-RHSMWYFYSA-N 0 3 339.505 2.217 20 10 EECDHN O=C1OCCN1CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000731844969 577127410 /nfs/dbraw/zinc/12/74/10/577127410.db2.gz SNMSBHSEOHADEK-INIZCTEOSA-N 0 3 334.416 2.216 20 10 EECDHN O=C1OCCN1CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000731844969 577127412 /nfs/dbraw/zinc/12/74/12/577127412.db2.gz SNMSBHSEOHADEK-INIZCTEOSA-N 0 3 334.416 2.216 20 10 EECDHN C[C@@H](NC[C@@H]1COCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000765251237 577497918 /nfs/dbraw/zinc/49/79/18/577497918.db2.gz NNYIQOKOTSDZPH-UKRRQHHQSA-N 0 3 340.851 2.243 20 10 EECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H]1n1ccnc1 ZINC000768463630 577556426 /nfs/dbraw/zinc/55/64/26/577556426.db2.gz KRWCBFHRWJEYED-PVUWLOKVSA-N 0 3 329.400 2.098 20 10 EECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H]1n1ccnc1 ZINC000768463630 577556427 /nfs/dbraw/zinc/55/64/27/577556427.db2.gz KRWCBFHRWJEYED-PVUWLOKVSA-N 0 3 329.400 2.098 20 10 EECDHN CCOc1ccc(CN2CCSC[C@@H]2CC(=O)OC)c(O)c1 ZINC000769469700 577578628 /nfs/dbraw/zinc/57/86/28/577578628.db2.gz CUXGBIGXJLJVHL-ZDUSSCGKSA-N 0 3 325.430 2.271 20 10 EECDHN CCOc1cccc(C[N@H+](CCC(=O)OC)C2CCOCC2)c1[O-] ZINC000769505686 577579373 /nfs/dbraw/zinc/57/93/73/577579373.db2.gz KGUZTVSQIAQWKJ-UHFFFAOYSA-N 0 3 337.416 2.335 20 10 EECDHN CCOc1cccc(C[N@@H+](CCC(=O)OC)C2CCOCC2)c1[O-] ZINC000769505686 577579374 /nfs/dbraw/zinc/57/93/74/577579374.db2.gz KGUZTVSQIAQWKJ-UHFFFAOYSA-N 0 3 337.416 2.335 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000770332981 577594148 /nfs/dbraw/zinc/59/41/48/577594148.db2.gz UBQQJZJLPWDLCA-DYVFJYSZSA-N 0 3 331.416 2.080 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000770332981 577594149 /nfs/dbraw/zinc/59/41/49/577594149.db2.gz UBQQJZJLPWDLCA-DYVFJYSZSA-N 0 3 331.416 2.080 20 10 EECDHN CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756413167 577843667 /nfs/dbraw/zinc/84/36/67/577843667.db2.gz YAWOGTXNVBVFFZ-QWHCGFSZSA-N 0 3 327.419 2.347 20 10 EECDHN C[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)N(C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756565505 577846956 /nfs/dbraw/zinc/84/69/56/577846956.db2.gz XECBVXNFAGZKTM-SWLSCSKDSA-N 0 3 349.450 2.222 20 10 EECDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(O)c1O ZINC000249040001 675251399 /nfs/dbraw/zinc/25/13/99/675251399.db2.gz YUKNBPNLKFIOEI-XJKSGUPXSA-N 0 3 326.396 2.348 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)COCC(F)(F)F)N(C)C)cc1 ZINC000891246321 676240379 /nfs/dbraw/zinc/24/03/79/676240379.db2.gz AKMYRAHMKNQQGU-AWEZNQCLSA-N 0 3 347.381 2.050 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CCc2ccccn2)N(C)C)cc1 ZINC000891249466 676243983 /nfs/dbraw/zinc/24/39/83/676243983.db2.gz SUVMMYXLBLOFAU-IBGZPJMESA-N 0 3 340.471 2.499 20 10 EECDHN CCn1nccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249601 676244342 /nfs/dbraw/zinc/24/43/42/676244342.db2.gz UYCZPKNZZZQEGL-QGZVFWFLSA-N 0 3 329.448 2.002 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C2(O)CCCCC2)N(C)C)cc1 ZINC000891252767 676248761 /nfs/dbraw/zinc/24/87/61/676248761.db2.gz NPGXSYFOINFPOP-KRWDZBQOSA-N 0 3 333.476 2.167 20 10 EECDHN CO[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000895055462 683564116 /nfs/dbraw/zinc/56/41/16/683564116.db2.gz QMESHNHTZKSVLA-ROUUACIJSA-N 0 3 348.491 2.080 20 10 EECDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000893135158 683832220 /nfs/dbraw/zinc/83/22/20/683832220.db2.gz LWQGXNHYNYPHHF-MOPGFXCFSA-N 0 3 340.471 2.441 20 10 EECDHN COc1cc(O)c(CN2CC[C@@](CO)(C(F)(F)F)C2)cc1OC ZINC000895835897 684743483 /nfs/dbraw/zinc/74/34/83/684743483.db2.gz IAWNYBKXVDHYLC-CQSZACIVSA-N 0 3 335.322 2.156 20 10 EECDHN CC(C)=CCN1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619693 1190933797 /nfs/dbraw/zinc/93/37/97/1190933797.db2.gz YEPTUNUHQIOISC-LJQANCHMSA-N 0 3 330.428 2.162 20 10 EECDHN CC(C)=CCN1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619693 1190933801 /nfs/dbraw/zinc/93/38/01/1190933801.db2.gz YEPTUNUHQIOISC-LJQANCHMSA-N 0 3 330.428 2.162 20 10 EECDHN CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272619816 1190934654 /nfs/dbraw/zinc/93/46/54/1190934654.db2.gz ZPGNSVBZZYZUQS-KXBFYZLASA-N 0 3 332.444 2.242 20 10 EECDHN CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272619816 1190934656 /nfs/dbraw/zinc/93/46/56/1190934656.db2.gz ZPGNSVBZZYZUQS-KXBFYZLASA-N 0 3 332.444 2.242 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879647617 1201193448 /nfs/dbraw/zinc/19/34/48/1201193448.db2.gz GFHVRRWQLUKPCW-NFAWXSAZSA-N 0 3 333.432 2.447 20 10 EECDHN NC(=O)C1CCN(c2ccc(CNCc3ccc(F)nc3)cc2)CC1 ZINC000886325186 1202492604 /nfs/dbraw/zinc/49/26/04/1202492604.db2.gz YBBXFWSVLJTCAR-UHFFFAOYSA-N 0 3 342.418 2.212 20 10 EECDHN CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(F)cc1[O-] ZINC001275775324 1205521862 /nfs/dbraw/zinc/52/18/62/1205521862.db2.gz ZJDZFDYKWZNUOR-GOOCMWNKSA-N 0 3 339.430 2.317 20 10 EECDHN CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001275820904 1205549584 /nfs/dbraw/zinc/54/95/84/1205549584.db2.gz ADCAGVHCPQAXAY-GOOCMWNKSA-N 0 3 333.432 2.301 20 10 EECDHN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924719288 1206023589 /nfs/dbraw/zinc/02/35/89/1206023589.db2.gz VKSHGZSIDGSEQE-YOEHRIQHSA-N 0 3 344.459 2.220 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCCCCC3)CC2)cc1 ZINC000048418201 1208477154 /nfs/dbraw/zinc/47/71/54/1208477154.db2.gz GXIIEGBIIYUDBS-UHFFFAOYSA-N 0 3 331.460 2.220 20 10 EECDHN CNC(=O)CC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000093588095 1214905851 /nfs/dbraw/zinc/90/58/51/1214905851.db2.gz KKOMYEIDRXFJIJ-UHFFFAOYSA-N 0 3 349.450 2.010 20 10 EECDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(O)c1O ZINC000249039999 1215002709 /nfs/dbraw/zinc/00/27/09/1215002709.db2.gz YUKNBPNLKFIOEI-CZUORRHYSA-N 0 3 326.396 2.348 20 10 EECDHN CON(C)CCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000850481150 1277238866 /nfs/dbraw/zinc/23/88/66/1277238866.db2.gz YBSLNBAUYVFLGA-CYBMUJFWSA-N 0 3 327.856 2.320 20 10 EECDHN O=S(=O)(CC1CCC1)NC1CCN(Cc2ccccc2O)CC1 ZINC001193543075 1282547124 /nfs/dbraw/zinc/54/71/24/1282547124.db2.gz VIWLCCAJNVQIDP-UHFFFAOYSA-N 0 3 338.473 2.076 20 10 EECDHN CC[C@H](C)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000104685941 1285379070 /nfs/dbraw/zinc/37/90/70/1285379070.db2.gz SLNCVELQZKKICH-AWEZNQCLSA-N 0 3 337.439 2.009 20 10 EECDHN CN1CCO[C@H]2CN(Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@@H]21 ZINC001277423611 1302946180 /nfs/dbraw/zinc/94/61/80/1302946180.db2.gz STHNFHHVXWEHPH-RDJZCZTQSA-N 0 3 330.428 2.091 20 10 EECDHN O=C(Nc1nnco1)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441933 1303032467 /nfs/dbraw/zinc/03/24/67/1303032467.db2.gz RSZKWQYQEDLHOF-KSSFIOAISA-N 0 3 342.399 2.406 20 10 EECDHN O=C(Nc1nnco1)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441933 1303032471 /nfs/dbraw/zinc/03/24/71/1303032471.db2.gz RSZKWQYQEDLHOF-KSSFIOAISA-N 0 3 342.399 2.406 20 10 EECDHN CC(C)(C)NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441944 1303033308 /nfs/dbraw/zinc/03/33/08/1303033308.db2.gz RZKTVSCJDLJMBL-INMHGKMJSA-N 0 3 332.444 2.286 20 10 EECDHN CC(C)(C)NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441944 1303033312 /nfs/dbraw/zinc/03/33/12/1303033312.db2.gz RZKTVSCJDLJMBL-INMHGKMJSA-N 0 3 332.444 2.286 20 10 EECDHN Cc1noc(C2(C)CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)n1 ZINC000781149570 1303747187 /nfs/dbraw/zinc/74/71/87/1303747187.db2.gz NFBMLLIAPOWJII-OAHLLOKOSA-N 0 3 345.399 2.063 20 10 EECDHN COc1cc(CN2CCC[C@@H](Oc3ncc(C)cn3)C2)c(O)cc1O ZINC001231639823 1303876524 /nfs/dbraw/zinc/87/65/24/1303876524.db2.gz LIOVYLLEUWRSQB-CQSZACIVSA-N 0 3 345.399 2.248 20 10 EECDHN O=C1NC[C@]2(CCCN(Cc3cccc(OC(F)(F)F)c3O)C2)O1 ZINC001233760329 1304581087 /nfs/dbraw/zinc/58/10/87/1304581087.db2.gz FFJZGWSIAZBRIG-AWEZNQCLSA-N 0 3 346.305 2.365 20 10 EECDHN CNC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001237050884 1305778787 /nfs/dbraw/zinc/77/87/87/1305778787.db2.gz FNKKVAWIWNMUNP-UHFFFAOYSA-N 0 3 346.349 2.291 20 10 EECDHN COCCN1CCC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)C1=O ZINC001237489389 1305955705 /nfs/dbraw/zinc/95/57/05/1305955705.db2.gz XIZOBHJPOAOVAJ-UHFFFAOYSA-N 0 3 332.444 2.162 20 10 EECDHN O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278256776 1308922487 /nfs/dbraw/zinc/92/24/87/1308922487.db2.gz KTNHOUUYFQOKIX-RDTXWAMCSA-N 0 3 348.393 2.314 20 10 EECDHN O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278256776 1308922491 /nfs/dbraw/zinc/92/24/91/1308922491.db2.gz KTNHOUUYFQOKIX-RDTXWAMCSA-N 0 3 348.393 2.314 20 10 EECDHN Cc1ccc(C(=O)C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000832282482 1314669758 /nfs/dbraw/zinc/66/97/58/1314669758.db2.gz ZTYVFMGVDFXRKH-QGZVFWFLSA-N 0 3 325.412 2.060 20 10 EECDHN Cc1c(O)ccc(CN2CCN(CCc3ccncc3)CC2)c1O ZINC001140746048 1314954269 /nfs/dbraw/zinc/95/42/69/1314954269.db2.gz TZTUOXZPTIQDPT-UHFFFAOYSA-N 0 3 327.428 2.162 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841006038 1315452860 /nfs/dbraw/zinc/45/28/60/1315452860.db2.gz GVUGLMACSUHTLQ-OLZOCXBDSA-N 0 3 340.851 2.409 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001249729933 1317159860 /nfs/dbraw/zinc/15/98/60/1317159860.db2.gz DKLRGPNFUALQAC-SJLPKXTDSA-N 0 3 349.427 2.478 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001249729933 1317159861 /nfs/dbraw/zinc/15/98/61/1317159861.db2.gz DKLRGPNFUALQAC-SJLPKXTDSA-N 0 3 349.427 2.478 20 10 EECDHN Oc1cc2c(cc1O)CN(C[C@@H](O)COCc1ccccc1)CCC2 ZINC001252289277 1317575243 /nfs/dbraw/zinc/57/52/43/1317575243.db2.gz WISGBUJXRJSVIG-GOSISDBHSA-N 0 3 343.423 2.424 20 10 EECDHN COc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c([O-])c1 ZINC001203623667 1321925448 /nfs/dbraw/zinc/92/54/48/1321925448.db2.gz WCHURCLEUXBUCR-GJZGRUSLSA-N 0 3 342.395 2.198 20 10 EECDHN C[C@@H]1[C@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320424897 1332880754 /nfs/dbraw/zinc/88/07/54/1332880754.db2.gz UENVBYPQEFWOJQ-CVEARBPZSA-N 0 3 334.483 2.102 20 10 EECDHN COCC[C@H](N)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001578998418 1344327989 /nfs/dbraw/zinc/32/79/89/1344327989.db2.gz XIIYOHPWEUILCI-SFHVURJKSA-N 0 3 329.444 2.117 20 10 EECDHN Cc1n[nH]cc1[C@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747529 1369659786 /nfs/dbraw/zinc/65/97/86/1369659786.db2.gz XEAPXBPKOIXYNG-ZDUSSCGKSA-N 0 3 341.459 2.271 20 10 EECDHN COC1CCN(c2ccc(CN3CCNC(=O)C[C@@H]3C)cc2)CC1 ZINC000828528785 1372245899 /nfs/dbraw/zinc/24/58/99/1372245899.db2.gz APIACADOEZRYMZ-HNNXBMFYSA-N 0 3 331.460 2.012 20 10 EECDHN COc1cccc(CN[C@H](C)C(=O)NCCc2ccccc2)c1O ZINC000835074274 1372586947 /nfs/dbraw/zinc/58/69/47/1372586947.db2.gz VGWJNJQIPUUMDL-CQSZACIVSA-N 0 3 328.412 2.238 20 10 EECDHN C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000894075534 780503716 /nfs/dbraw/zinc/50/37/16/780503716.db2.gz DLWSKPBQQGZGGF-CXAGYDPISA-N 0 3 339.430 2.128 20 10 EECDHN O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@H]2C1)C(F)(F)F ZINC000824828091 788330764 /nfs/dbraw/zinc/33/07/64/788330764.db2.gz LBCOTNPFEZLISJ-AAEUAGOBSA-N 0 3 328.334 2.235 20 10 EECDHN O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@H]2C1)C(F)(F)F ZINC000824828091 788330771 /nfs/dbraw/zinc/33/07/71/788330771.db2.gz LBCOTNPFEZLISJ-AAEUAGOBSA-N 0 3 328.334 2.235 20 10 EECDHN CC(=O)c1cc(F)cc(CN2CCN(c3cc[nH+]cc3)CC2)c1[O-] ZINC000151174312 788691581 /nfs/dbraw/zinc/69/15/81/788691581.db2.gz OYFNRDRKBFOGKK-UHFFFAOYSA-N 0 3 329.375 2.451 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846191292 790085052 /nfs/dbraw/zinc/08/50/52/790085052.db2.gz XMMJYDUDKLNMMN-PWSUYJOCSA-N 0 3 332.853 2.039 20 10 EECDHN Cc1ncoc1CNCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238437 798816036 /nfs/dbraw/zinc/81/60/36/798816036.db2.gz VXHCTUUNYWDCHG-UHFFFAOYSA-N 0 3 344.375 2.055 20 10 EECDHN Cc1nocc1CNCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238120 798816430 /nfs/dbraw/zinc/81/64/30/798816430.db2.gz ROXPCQLNZWLFTL-UHFFFAOYSA-N 0 3 344.375 2.055 20 10 EECDHN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)cc1F ZINC000115813521 282290292 /nfs/dbraw/zinc/29/02/92/282290292.db2.gz JPGHEJGMBLJHTC-OAHLLOKOSA-N 0 3 336.455 2.375 20 10 EECDHN CC(C)NC(=O)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000177865965 463805828 /nfs/dbraw/zinc/80/58/28/463805828.db2.gz RCLOZNPPDXCKMM-AWEZNQCLSA-N 0 3 337.439 2.228 20 10 EECDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000283843062 464029087 /nfs/dbraw/zinc/02/90/87/464029087.db2.gz AYZDQQUGTKOXHE-INIZCTEOSA-N 0 3 343.475 2.281 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000289923769 464101348 /nfs/dbraw/zinc/10/13/48/464101348.db2.gz VWQCYNTZKVYRKU-TZMCWYRMSA-N 0 3 335.404 2.368 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000289923769 464101352 /nfs/dbraw/zinc/10/13/52/464101352.db2.gz VWQCYNTZKVYRKU-TZMCWYRMSA-N 0 3 335.404 2.368 20 10 EECDHN C[C@H](O)C[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279963821 464174246 /nfs/dbraw/zinc/17/42/46/464174246.db2.gz YMGCTFZCECGUHD-LPHOPBHVSA-N 0 3 347.503 2.336 20 10 EECDHN CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)n1 ZINC000180256626 464274568 /nfs/dbraw/zinc/27/45/68/464274568.db2.gz MSBPVJGQYOLQTL-AWEZNQCLSA-N 0 3 346.431 2.191 20 10 EECDHN CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)n1 ZINC000180256626 464274576 /nfs/dbraw/zinc/27/45/76/464274576.db2.gz MSBPVJGQYOLQTL-AWEZNQCLSA-N 0 3 346.431 2.191 20 10 EECDHN FC(F)Cn1cc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000293010313 464382233 /nfs/dbraw/zinc/38/22/33/464382233.db2.gz OOZBUJMKDSHGJB-UHFFFAOYSA-N 0 3 336.386 2.275 20 10 EECDHN Cc1ccc(S(=O)(=O)NCCNCc2cc(C)c(C)cc2O)cc1 ZINC000174313962 464392536 /nfs/dbraw/zinc/39/25/36/464392536.db2.gz KZCGBXNNVQEKGO-UHFFFAOYSA-N 0 3 348.468 2.386 20 10 EECDHN CN(CC[NH2+]Cc1cc(F)ccc1[O-])S(=O)(=O)c1cccs1 ZINC000180867818 464411086 /nfs/dbraw/zinc/41/10/86/464411086.db2.gz YZBORMNHAJDQKI-UHFFFAOYSA-N 0 3 344.433 2.003 20 10 EECDHN COCC1(O)CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000294971580 464666127 /nfs/dbraw/zinc/66/61/27/464666127.db2.gz ODMFMGNXTKHJQY-UHFFFAOYSA-N 0 3 348.487 2.275 20 10 EECDHN COc1cc(O)c(CN2CCOCC3(CCOCC3)C2)cc1OC ZINC000272941836 464696272 /nfs/dbraw/zinc/69/62/72/464696272.db2.gz KSVFQYZFGUPLST-UHFFFAOYSA-N 0 3 337.416 2.038 20 10 EECDHN COc1cc([O-])c(C[NH2+]C[C@@H](O)CCc2ccccc2)cc1OC ZINC000273142562 464704798 /nfs/dbraw/zinc/70/47/98/464704798.db2.gz FHYAUMBOHOZPPQ-INIZCTEOSA-N 0 3 331.412 2.493 20 10 EECDHN Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])n1 ZINC000273396779 464713651 /nfs/dbraw/zinc/71/36/51/464713651.db2.gz FQPNZURDRDDXLS-MRVPVSSYSA-N 0 3 325.210 2.475 20 10 EECDHN Cc1nc(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])n[nH]1 ZINC000273396779 464713658 /nfs/dbraw/zinc/71/36/58/464713658.db2.gz FQPNZURDRDDXLS-MRVPVSSYSA-N 0 3 325.210 2.475 20 10 EECDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(Br)ccc1[O-] ZINC000273417189 464714761 /nfs/dbraw/zinc/71/47/61/464714761.db2.gz RCYXXUNLQYPZAI-YPMHNXCESA-N 0 3 343.265 2.262 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H](C)C1(C)CC1)cc2=O ZINC000177252781 464969342 /nfs/dbraw/zinc/96/93/42/464969342.db2.gz WMBBRYRUFZRPII-NSHDSACASA-N 0 3 332.404 2.232 20 10 EECDHN CN(Cc1cc2c(cc1O)OCO2)C[C@@H]1COc2ccccc2O1 ZINC000298824989 465516132 /nfs/dbraw/zinc/51/61/32/465516132.db2.gz VPZHCPMTSCPAAD-CYBMUJFWSA-N 0 3 329.352 2.393 20 10 EECDHN O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000373129100 466701922 /nfs/dbraw/zinc/70/19/22/466701922.db2.gz XNSWEILJJQAQTB-UHFFFAOYSA-N 0 3 349.406 2.266 20 10 EECDHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000738514030 578017837 /nfs/dbraw/zinc/01/78/37/578017837.db2.gz RXTCVHGDKZUFMQ-OKILXGFUSA-N 0 3 337.489 2.084 20 10 EECDHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000738514030 578017838 /nfs/dbraw/zinc/01/78/38/578017838.db2.gz RXTCVHGDKZUFMQ-OKILXGFUSA-N 0 3 337.489 2.084 20 10 EECDHN CC(C)[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256988 577433728 /nfs/dbraw/zinc/43/37/28/577433728.db2.gz CFNUUCUBCPKPBA-CVEARBPZSA-N 0 3 333.476 2.335 20 10 EECDHN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775831453 577446791 /nfs/dbraw/zinc/44/67/91/577446791.db2.gz SFYJIAAIHRDDGN-RHSMWYFYSA-N 0 3 349.475 2.107 20 10 EECDHN CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1)C(=O)OC ZINC000775835438 577446921 /nfs/dbraw/zinc/44/69/21/577446921.db2.gz YTRSWPDWZOFDIW-IYOUNJFTSA-N 0 3 349.475 2.107 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CN2CCOCC2)c1[O-] ZINC000775997941 577450316 /nfs/dbraw/zinc/45/03/16/577450316.db2.gz OMMPTGLGUZRODA-GFCCVEGCSA-N 0 3 343.265 2.273 20 10 EECDHN CN1CCN(c2ccc(CN[C@@H](CCO)c3ccco3)cc2)CC1 ZINC000768946382 577566292 /nfs/dbraw/zinc/56/62/92/577566292.db2.gz NBPKCUUWMTVUKN-SFHVURJKSA-N 0 3 329.444 2.245 20 10 EECDHN COC(=O)CCC(C)(C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000762788930 577707757 /nfs/dbraw/zinc/70/77/57/577707757.db2.gz ZINWDAGUYJXLKG-UHFFFAOYSA-N 0 3 338.423 2.484 20 10 EECDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000745788413 577918621 /nfs/dbraw/zinc/91/86/21/577918621.db2.gz KJCWYNNPJDEACR-RHSMWYFYSA-N 0 3 330.476 2.351 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)no2)N(C)C)cc1 ZINC000891246179 676239717 /nfs/dbraw/zinc/23/97/17/676239717.db2.gz MZVXDOYZIONWRH-CYBMUJFWSA-N 0 3 336.823 2.427 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@@H]2O)N(C)C)cc1 ZINC000891247885 676241119 /nfs/dbraw/zinc/24/11/19/676241119.db2.gz IOQLEPIIBJVJAD-NEWSRXKRSA-N 0 3 347.503 2.413 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn(C3CC3)c2)N(C)C)cc1 ZINC000891247329 676241690 /nfs/dbraw/zinc/24/16/90/676241690.db2.gz UFHJABYBROSKAV-SFHVURJKSA-N 0 3 341.459 2.317 20 10 EECDHN C[C@@H]1COCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247546 676241947 /nfs/dbraw/zinc/24/19/47/676241947.db2.gz IDEXQXFBHYWNKX-OLMNPRSZSA-N 0 3 333.476 2.144 20 10 EECDHN Cc1cnn(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891252053 676248448 /nfs/dbraw/zinc/24/84/48/676248448.db2.gz FIFNUKNDZCRLDC-GOSISDBHSA-N 0 3 343.475 2.067 20 10 EECDHN Cc1cccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252943 676248998 /nfs/dbraw/zinc/24/89/98/676248998.db2.gz OONITTAXGMNRGL-QGZVFWFLSA-N 0 3 326.444 2.489 20 10 EECDHN CCc1ocnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253072 676249003 /nfs/dbraw/zinc/24/90/03/676249003.db2.gz QFCZWLQBJGZAGX-HNNXBMFYSA-N 0 3 330.432 2.336 20 10 EECDHN C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895332484 684502382 /nfs/dbraw/zinc/50/23/82/684502382.db2.gz WIMNEZRNLCQNOW-YLJYHZDGSA-N 0 3 343.423 2.289 20 10 EECDHN C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895332484 684502387 /nfs/dbraw/zinc/50/23/87/684502387.db2.gz WIMNEZRNLCQNOW-YLJYHZDGSA-N 0 3 343.423 2.289 20 10 EECDHN COc1cc(O)c(CNCC(=O)N2CCc3ccccc32)cc1OC ZINC000895486364 684617205 /nfs/dbraw/zinc/61/72/05/684617205.db2.gz CCTJPSRXZIARPD-UHFFFAOYSA-N 0 3 342.395 2.088 20 10 EECDHN COC[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102995 693607032 /nfs/dbraw/zinc/60/70/32/693607032.db2.gz UIHCRENGHKCIES-MAUKXSAKSA-N 0 3 348.491 2.033 20 10 EECDHN COCC1(C)CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899104172 693607600 /nfs/dbraw/zinc/60/76/00/693607600.db2.gz QHWVARKRJFZOHL-KRWDZBQOSA-N 0 3 348.491 2.033 20 10 EECDHN C[C@@H]1OCC[C@@]1(C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104963 693607634 /nfs/dbraw/zinc/60/76/34/693607634.db2.gz UCRDSJOIEXFYKP-UCLAIMLFSA-N 0 3 348.491 2.222 20 10 EECDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCCO1 ZINC000899100692 693612981 /nfs/dbraw/zinc/61/29/81/693612981.db2.gz BRKLZZCFMOLLBT-CRAIPNDOSA-N 0 3 348.491 2.176 20 10 EECDHN COc1ccncc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000814298946 1199425348 /nfs/dbraw/zinc/42/53/48/1199425348.db2.gz YJGWQVGTQLCJBX-UHFFFAOYSA-N 0 3 326.444 2.132 20 10 EECDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(S(N)(=O)=O)c1 ZINC000876522252 1199655665 /nfs/dbraw/zinc/65/56/65/1199655665.db2.gz LVOKJRHOKUNRTN-UHFFFAOYSA-N 0 3 347.484 2.422 20 10 EECDHN COc1ccccc1COC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000121146755 1201559379 /nfs/dbraw/zinc/55/93/79/1201559379.db2.gz NKIUPUZTUDTFSI-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN COc1ccccc1COC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000121146755 1201559382 /nfs/dbraw/zinc/55/93/82/1201559382.db2.gz NKIUPUZTUDTFSI-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2COC2)c([O-])c1 ZINC001274779429 1205160656 /nfs/dbraw/zinc/16/06/56/1205160656.db2.gz ITJFSPWQBZRCFS-QZTJIDSGSA-N 0 3 344.455 2.480 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2COC2)c([O-])c1 ZINC001274779429 1205160660 /nfs/dbraw/zinc/16/06/60/1205160660.db2.gz ITJFSPWQBZRCFS-QZTJIDSGSA-N 0 3 344.455 2.480 20 10 EECDHN COc1ccc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000193176182 1210752721 /nfs/dbraw/zinc/75/27/21/1210752721.db2.gz VCLABAULUOLLGG-IBGZPJMESA-N 0 3 326.440 2.421 20 10 EECDHN O=C(NCc1ccco1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001188192750 1279789571 /nfs/dbraw/zinc/78/95/71/1279789571.db2.gz XBMMTEBKRVBGOK-UHFFFAOYSA-N 0 3 329.400 2.449 20 10 EECDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CNC(=O)N4)CC3)c2c1 ZINC001234569023 1304972840 /nfs/dbraw/zinc/97/28/40/1304972840.db2.gz IVJXPHMISWNJIJ-UHFFFAOYSA-N 0 3 341.411 2.201 20 10 EECDHN CCN1CCN(c2ccc(O[C@H]3CNCC(F)(F)C3)cc2)CC1 ZINC001218277675 1297619883 /nfs/dbraw/zinc/61/98/83/1297619883.db2.gz IMGJMYMYPVFSPF-MRXNPFEDSA-N 0 3 325.403 2.205 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2nnco2)c([O-])c1 ZINC001277560077 1303908986 /nfs/dbraw/zinc/90/89/86/1303908986.db2.gz QAZIIBOIMVDVDW-MIFYACCESA-N 0 3 342.399 2.180 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2nnco2)c([O-])c1 ZINC001277560077 1303908987 /nfs/dbraw/zinc/90/89/87/1303908987.db2.gz QAZIIBOIMVDVDW-MIFYACCESA-N 0 3 342.399 2.180 20 10 EECDHN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c1[O-] ZINC001233290419 1304417780 /nfs/dbraw/zinc/41/77/80/1304417780.db2.gz BGAKCWLEKJTDII-AWEZNQCLSA-N 0 3 326.824 2.497 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCN(C(C)=O)C2)c1[O-] ZINC001233290419 1304417782 /nfs/dbraw/zinc/41/77/82/1304417782.db2.gz BGAKCWLEKJTDII-AWEZNQCLSA-N 0 3 326.824 2.497 20 10 EECDHN COc1ccc(O[C@@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)nc1 ZINC001233487418 1304479587 /nfs/dbraw/zinc/47/95/87/1304479587.db2.gz CMEANSPSOHESIN-CQSZACIVSA-N 0 3 346.383 2.250 20 10 EECDHN CCN1CCN(c2ccc(O[C@@H]3CCCN(C(C)=O)C3)cc2)CC1 ZINC001234657747 1305002614 /nfs/dbraw/zinc/00/26/14/1305002614.db2.gz HFCAZIJFIGXQFA-LJQANCHMSA-N 0 3 331.460 2.218 20 10 EECDHN COC(=O)[C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CCN1 ZINC001235443522 1305233062 /nfs/dbraw/zinc/23/30/62/1305233062.db2.gz JKJIKURMSNRHJF-KRWDZBQOSA-N 0 3 344.386 2.145 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CCc3ncnc(OC)c3CC2)c([O-])c1 ZINC001236812113 1305687421 /nfs/dbraw/zinc/68/74/21/1305687421.db2.gz WBGQXTQKMAKKNG-UHFFFAOYSA-N 0 3 329.400 2.109 20 10 EECDHN COc1cc(C)c(C[N@H+]2CCc3ncnc(OC)c3CC2)c([O-])c1 ZINC001236812113 1305687428 /nfs/dbraw/zinc/68/74/28/1305687428.db2.gz WBGQXTQKMAKKNG-UHFFFAOYSA-N 0 3 329.400 2.109 20 10 EECDHN CN1CCN(c2ccc(CN[C@H]3CCCc4c[nH]nc43)cc2F)CC1 ZINC001116288868 1305871890 /nfs/dbraw/zinc/87/18/90/1305871890.db2.gz NGZXHFDVGWMMSD-KRWDZBQOSA-N 0 3 343.450 2.468 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001237486334 1305954832 /nfs/dbraw/zinc/95/48/32/1305954832.db2.gz QOGYZEJBHUIVFG-VDZJLULYSA-N 0 3 344.455 2.206 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001237486334 1305954837 /nfs/dbraw/zinc/95/48/37/1305954837.db2.gz QOGYZEJBHUIVFG-VDZJLULYSA-N 0 3 344.455 2.206 20 10 EECDHN COc1cc(CN2CCC(c3nc(C)no3)CC2)c(O)c(OC)c1 ZINC001237677988 1306041611 /nfs/dbraw/zinc/04/16/11/1306041611.db2.gz IUALLICRADEDND-UHFFFAOYSA-N 0 3 333.388 2.480 20 10 EECDHN Cc1cc(Cl)cc(CN2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c1O ZINC001237679533 1306042228 /nfs/dbraw/zinc/04/22/28/1306042228.db2.gz JJCNBEUOOAAIPO-KFWWJZLASA-N 0 3 338.835 2.174 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001278248992 1308912353 /nfs/dbraw/zinc/91/23/53/1308912353.db2.gz VLYWLQNDXLBEON-OAHLLOKOSA-N 0 3 344.390 2.495 20 10 EECDHN CCOC(=O)NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499297 1314622714 /nfs/dbraw/zinc/62/27/14/1314622714.db2.gz BYCRPEGYUFZQQY-UHFFFAOYSA-N 0 3 347.459 2.234 20 10 EECDHN CN(C)CCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000832157580 1314653284 /nfs/dbraw/zinc/65/32/84/1314653284.db2.gz CNMHQUZYRCGQTH-UHFFFAOYSA-N 0 3 344.484 2.482 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001139133646 1314709411 /nfs/dbraw/zinc/70/94/11/1314709411.db2.gz KKZUMEFUDNBCER-CJNGLKHVSA-N 0 3 328.412 2.333 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001139133646 1314709414 /nfs/dbraw/zinc/70/94/14/1314709414.db2.gz KKZUMEFUDNBCER-CJNGLKHVSA-N 0 3 328.412 2.333 20 10 EECDHN CNC(=O)NC1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078675 1315038515 /nfs/dbraw/zinc/03/85/15/1315038515.db2.gz DOYLGBDVXNIPNP-UHFFFAOYSA-N 0 3 342.487 2.279 20 10 EECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000841332206 1315533094 /nfs/dbraw/zinc/53/30/94/1315533094.db2.gz NXDRERSTVVKQLD-NSHDSACASA-N 0 3 327.384 2.454 20 10 EECDHN CN1CCN(c2ccc3[nH]c(-c4cc(O)c(O)c(O)c4)nc3c2)CC1 ZINC001251244480 1317439024 /nfs/dbraw/zinc/43/90/24/1317439024.db2.gz HRPDFKFCHVVYKG-UHFFFAOYSA-N 0 3 340.383 2.099 20 10 EECDHN C[C@@H]([NH2+]C[C@H](O)COCC(F)(F)C(F)F)c1ccccc1[O-] ZINC001251633308 1317479645 /nfs/dbraw/zinc/47/96/45/1317479645.db2.gz QALTXDKPPXGTFN-ZJUUUORDSA-N 0 3 325.302 2.321 20 10 EECDHN COc1ccc(O)c(CN2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)c1 ZINC001203671907 1321937405 /nfs/dbraw/zinc/93/74/05/1321937405.db2.gz YSCNTDUHEXAKFG-JCURWCKSSA-N 0 3 345.399 2.444 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCOCC2)N(C)C)cc1 ZINC001262369563 1322289933 /nfs/dbraw/zinc/28/99/33/1322289933.db2.gz IQCILDSOMRFMBU-SJLPKXTDSA-N 0 3 348.491 2.224 20 10 EECDHN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)CNCC2 ZINC001326768993 1334157216 /nfs/dbraw/zinc/15/72/16/1334157216.db2.gz DCCWWYCHMQKYSY-UHFFFAOYSA-N 0 3 337.423 2.421 20 10 EECDHN Cc1conc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001333514618 1336061512 /nfs/dbraw/zinc/06/15/12/1336061512.db2.gz VKLRGTYXHUJJQC-HNNXBMFYSA-N 0 3 331.420 2.473 20 10 EECDHN CC1=NO[C@@](C)(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001337399625 1336695824 /nfs/dbraw/zinc/69/58/24/1336695824.db2.gz KEHJGQHLRGXUIK-FUHWJXTLSA-N 0 3 332.448 2.026 20 10 EECDHN C[C@H]1[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCN1C ZINC001341781308 1337298772 /nfs/dbraw/zinc/29/87/72/1337298772.db2.gz PXPOVQWPLWQKBC-SMDDNHRTSA-N 0 3 330.457 2.139 20 10 EECDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815036630 1367798467 /nfs/dbraw/zinc/79/84/67/1367798467.db2.gz AFUSTHYUBCTHLU-UHFFFAOYSA-N 0 3 346.519 2.047 20 10 EECDHN C[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1CCO ZINC000852457719 1369274671 /nfs/dbraw/zinc/27/46/71/1369274671.db2.gz ZARDBYPMCQOYIT-QFBILLFUSA-N 0 3 347.503 2.194 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC001116511898 1371728060 /nfs/dbraw/zinc/72/80/60/1371728060.db2.gz PTPBOHMKFGSPQH-CYBMUJFWSA-N 0 3 344.415 2.462 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC001116511898 1371728065 /nfs/dbraw/zinc/72/80/65/1371728065.db2.gz PTPBOHMKFGSPQH-CYBMUJFWSA-N 0 3 344.415 2.462 20 10 EECDHN Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)c([O-])c1 ZINC001140952192 1372725990 /nfs/dbraw/zinc/72/59/90/1372725990.db2.gz HZDJQJPOXXMQTA-JFIYKMOQSA-N 0 3 332.444 2.016 20 10 EECDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)c([O-])c1 ZINC001140952192 1372725992 /nfs/dbraw/zinc/72/59/92/1372725992.db2.gz HZDJQJPOXXMQTA-JFIYKMOQSA-N 0 3 332.444 2.016 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1CC)cc2=O ZINC000051124670 759762475 /nfs/dbraw/zinc/76/24/75/759762475.db2.gz BAAPEJGCTHGOMV-ZDUSSCGKSA-N 0 3 332.404 2.376 20 10 EECDHN Cc1ccc(N2CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC2)nn1 ZINC001089840221 777605042 /nfs/dbraw/zinc/60/50/42/777605042.db2.gz IYUBCKGQIIDLTC-GOSISDBHSA-N 0 3 345.491 2.014 20 10 EECDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cn[nH]c1 ZINC000893858108 780246083 /nfs/dbraw/zinc/24/60/83/780246083.db2.gz YYLNZJBWYCRMIU-CXAGYDPISA-N 0 3 344.463 2.139 20 10 EECDHN O=[N+]([O-])c1cc(CN[C@@H](CO)CCF)ccc1N1CCCCC1 ZINC000846097518 790061357 /nfs/dbraw/zinc/06/13/57/790061357.db2.gz QJKSAMUEYYYPOL-CQSZACIVSA-N 0 3 325.384 2.395 20 10 EECDHN CC(C)[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)N(C)C ZINC000132870685 803082057 /nfs/dbraw/zinc/08/20/57/803082057.db2.gz VLSHEWCMPBBOQE-CRAIPNDOSA-N 0 3 333.476 2.287 20 10 EECDHN O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001169732964 804020024 /nfs/dbraw/zinc/02/00/24/804020024.db2.gz WKKFGPUEAAOGLY-MRXNPFEDSA-N 0 3 326.396 2.492 20 10 EECDHN CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808675281 812807705 /nfs/dbraw/zinc/80/77/05/812807705.db2.gz BJGPGXOGTFXXCR-LBPRGKRZSA-N 0 3 339.867 2.215 20 10 EECDHN CN(C)[C@@H](CNC(=O)CN(C)Cc1ccccc1O)c1ccccc1 ZINC000159134776 463269930 /nfs/dbraw/zinc/26/99/30/463269930.db2.gz KHQHJRYFURSQNR-SFHVURJKSA-N 0 3 341.455 2.243 20 10 EECDHN COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])ccc1OCC(N)=O ZINC000185204646 463777129 /nfs/dbraw/zinc/77/71/29/463777129.db2.gz UYKIMZUQMHUYQB-CYBMUJFWSA-N 0 3 344.411 2.424 20 10 EECDHN C[C@H](CC[S@@](C)=O)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271476591 464319824 /nfs/dbraw/zinc/31/98/24/464319824.db2.gz JUNLMICLDKJTPO-GJDIJTJZSA-N 0 3 342.480 2.470 20 10 EECDHN CN1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)C1 ZINC000292816574 464351025 /nfs/dbraw/zinc/35/10/25/464351025.db2.gz ANWOZQTZQAXKSM-HXUWFJFHSA-N 0 3 340.471 2.300 20 10 EECDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1C ZINC000285509099 464590090 /nfs/dbraw/zinc/59/00/90/464590090.db2.gz NHESHSYMPWXVON-GDBMZVCRSA-N 0 3 340.489 2.207 20 10 EECDHN Cc1ccc(C(=O)NCc2ccccc2OCC[NH+](C)C)c([O-])c1O ZINC000182253881 464611289 /nfs/dbraw/zinc/61/12/89/464611289.db2.gz WIWDQDFIALCLQW-UHFFFAOYSA-N 0 3 344.411 2.277 20 10 EECDHN COC1CCN(c2ccc(CN[C@@H](C(N)=O)C(C)(C)C)cc2)CC1 ZINC000294952653 464661121 /nfs/dbraw/zinc/66/11/21/464661121.db2.gz MQOIAGNKBMOUJZ-KRWDZBQOSA-N 0 3 333.476 2.291 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CCN2CCC(O)CC2)c1[O-] ZINC000294955379 464662185 /nfs/dbraw/zinc/66/21/85/464662185.db2.gz WGEXIPQQZSILNP-UHFFFAOYSA-N 0 3 343.265 2.009 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](CCO)C2CCOCC2)c1[O-] ZINC000275960580 464792536 /nfs/dbraw/zinc/79/25/36/464792536.db2.gz KORCLHJJDGHBAF-UHFFFAOYSA-N 0 3 344.249 2.436 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](CCO)C2CCOCC2)c1[O-] ZINC000275960580 464792542 /nfs/dbraw/zinc/79/25/42/464792542.db2.gz KORCLHJJDGHBAF-UHFFFAOYSA-N 0 3 344.249 2.436 20 10 EECDHN CCCC[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000282465600 464829423 /nfs/dbraw/zinc/82/94/23/464829423.db2.gz NHAMIZFRSPOQSD-UHFFFAOYSA-N 0 3 333.432 2.325 20 10 EECDHN CCCC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000282465600 464829425 /nfs/dbraw/zinc/82/94/25/464829425.db2.gz NHAMIZFRSPOQSD-UHFFFAOYSA-N 0 3 333.432 2.325 20 10 EECDHN CC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(C)cc1[O-] ZINC000366459116 465740951 /nfs/dbraw/zinc/74/09/51/465740951.db2.gz WKERLSNCXCOPGH-IEBWSBKVSA-N 0 3 347.503 2.148 20 10 EECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(OC)c(OC)cc1[O-])C2 ZINC000367819185 466540661 /nfs/dbraw/zinc/54/06/61/466540661.db2.gz ARRFRVGSWRBIMS-UGSOOPFHSA-N 0 3 335.400 2.185 20 10 EECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(OC)c(OC)cc1[O-])C2 ZINC000367819185 466540669 /nfs/dbraw/zinc/54/06/69/466540669.db2.gz ARRFRVGSWRBIMS-UGSOOPFHSA-N 0 3 335.400 2.185 20 10 EECDHN COc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c(O)c1 ZINC000373709977 466895889 /nfs/dbraw/zinc/89/58/89/466895889.db2.gz HIBKGTIWNPUIAK-UHFFFAOYSA-N 0 3 348.443 2.052 20 10 EECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000113320615 534195550 /nfs/dbraw/zinc/19/55/50/534195550.db2.gz QQUDEGSKBZAOHN-LJQANCHMSA-N 0 3 326.440 2.209 20 10 EECDHN CCOC[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000081519947 529029866 /nfs/dbraw/zinc/02/98/66/529029866.db2.gz INJUJVVODOMHHH-KRWDZBQOSA-N 0 3 333.476 2.069 20 10 EECDHN CN1CCCc2cc(CNC(=O)N[C@H]3CCN(C4CC4)C3)ccc21 ZINC000734271977 577286308 /nfs/dbraw/zinc/28/63/08/577286308.db2.gz HESINVMOBXVHEL-INIZCTEOSA-N 0 3 328.460 2.105 20 10 EECDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776252086 577455668 /nfs/dbraw/zinc/45/56/68/577455668.db2.gz GUMRUTUKRKMLJZ-CHWSQXEVSA-N 0 3 341.249 2.467 20 10 EECDHN CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)C[C@H]1O ZINC000770380721 577594978 /nfs/dbraw/zinc/59/49/78/577594978.db2.gz NPCMPFVUKQVAGW-BXKDBHETSA-N 0 3 330.222 2.366 20 10 EECDHN COc1cc([O-])c(C[N@H+](C)C2CCC(NC(C)=O)CC2)cc1OC ZINC000753592294 577790441 /nfs/dbraw/zinc/79/04/41/577790441.db2.gz VRKZKKYWYOLKSV-UHFFFAOYSA-N 0 3 336.432 2.289 20 10 EECDHN COc1cc([O-])c(C[N@@H+](C)C2CCC(NC(C)=O)CC2)cc1OC ZINC000753592294 577790442 /nfs/dbraw/zinc/79/04/42/577790442.db2.gz VRKZKKYWYOLKSV-UHFFFAOYSA-N 0 3 336.432 2.289 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c1 ZINC000756483806 577844926 /nfs/dbraw/zinc/84/49/26/577844926.db2.gz RGLTVMGOPGNZIQ-CQSZACIVSA-N 0 3 334.441 2.330 20 10 EECDHN Cc1ccc(O)c([C@@H](C)NCCNS(=O)(=O)c2ccccc2)c1 ZINC000756483806 577844927 /nfs/dbraw/zinc/84/49/27/577844927.db2.gz RGLTVMGOPGNZIQ-CQSZACIVSA-N 0 3 334.441 2.330 20 10 EECDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756576332 577847163 /nfs/dbraw/zinc/84/71/63/577847163.db2.gz MKOHKGFTOXQSLP-ZIAGYGMSSA-N 0 3 348.447 2.120 20 10 EECDHN Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccn1C ZINC000891246664 676241045 /nfs/dbraw/zinc/24/10/45/676241045.db2.gz DMAQRYMYJAWNJW-SFHVURJKSA-N 0 3 328.460 2.432 20 10 EECDHN Cc1nc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000891247003 676241286 /nfs/dbraw/zinc/24/12/86/676241286.db2.gz GJJOGUREJAXNDV-MRXNPFEDSA-N 0 3 329.448 2.125 20 10 EECDHN C[C@@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)n1cccn1 ZINC000891250631 676245322 /nfs/dbraw/zinc/24/53/22/676245322.db2.gz YRXUAQRXLBCDOW-YJBOKZPZSA-N 0 3 343.475 2.319 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cncc(F)c2)N(C)C)cc1 ZINC000891254540 676250311 /nfs/dbraw/zinc/25/03/11/676250311.db2.gz ZHOZVVKJTIUFJO-KRWDZBQOSA-N 0 3 330.407 2.319 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CCc2ccncc2)N(C)C)cc1 ZINC000891255638 676253017 /nfs/dbraw/zinc/25/30/17/676253017.db2.gz QVHZRFZLGYCYLZ-IBGZPJMESA-N 0 3 340.471 2.499 20 10 EECDHN COCC[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892604259 681938330 /nfs/dbraw/zinc/93/83/30/681938330.db2.gz QGOGPECINKDKLT-YOEHRIQHSA-N 0 3 336.480 2.080 20 10 EECDHN C[C@@H]1COCC[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894450020 682897202 /nfs/dbraw/zinc/89/72/02/682897202.db2.gz YRBIXVBBNFFMOT-FHLIZLRMSA-N 0 3 348.491 2.080 20 10 EECDHN COCCCN1CC[C@]2(CCCN2Cc2ccc(OC)cc2O)C1=O ZINC001272626505 1190938242 /nfs/dbraw/zinc/93/82/42/1190938242.db2.gz ZJFBZKPXPGQEKJ-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN COCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272626505 1190938246 /nfs/dbraw/zinc/93/82/46/1190938246.db2.gz ZJFBZKPXPGQEKJ-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN COCCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)cc2[O-])C1=O ZINC001272626505 1190938248 /nfs/dbraw/zinc/93/82/48/1190938248.db2.gz ZJFBZKPXPGQEKJ-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN CCCCN1C[C@@]2(CCN(Cc3cc(OC)ccc3O)C2)OCC1=O ZINC001272638709 1190946272 /nfs/dbraw/zinc/94/62/72/1190946272.db2.gz SYKPEZMDQIBDAW-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN COC[C@H](C)N1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699885 1195091306 /nfs/dbraw/zinc/09/13/06/1195091306.db2.gz QWJPTKKUNUNPCS-WFASDCNBSA-N 0 3 347.419 2.030 20 10 EECDHN Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c([O-])c1 ZINC000877025977 1199848037 /nfs/dbraw/zinc/84/80/37/1199848037.db2.gz BOKIFUYRIXJBEZ-OAHLLOKOSA-N 0 3 325.412 2.168 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]CC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000877146967 1199869572 /nfs/dbraw/zinc/86/95/72/1199869572.db2.gz YCIDEQGDQGWTOP-OAHLLOKOSA-N 0 3 343.349 2.364 20 10 EECDHN Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000877476059 1199941071 /nfs/dbraw/zinc/94/10/71/1199941071.db2.gz SQJOHVVOOLHXRJ-UHFFFAOYSA-N 0 3 340.489 2.383 20 10 EECDHN Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)[C@H](O)CO2 ZINC000811791105 1200333350 /nfs/dbraw/zinc/33/33/50/1200333350.db2.gz GICLRUBUFDJLGE-RYRKJORJSA-N 0 3 331.412 2.352 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)[C@H](O)CO2 ZINC000811791105 1200333357 /nfs/dbraw/zinc/33/33/57/1200333357.db2.gz GICLRUBUFDJLGE-RYRKJORJSA-N 0 3 331.412 2.352 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)[C@H](O)CO2 ZINC000811791105 1200333365 /nfs/dbraw/zinc/33/33/65/1200333365.db2.gz GICLRUBUFDJLGE-RYRKJORJSA-N 0 3 331.412 2.352 20 10 EECDHN CCOCCN1CC[C@@]2(CC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302226 1204990716 /nfs/dbraw/zinc/99/07/16/1204990716.db2.gz YRMZIKPLUOZIFB-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN CCOCCN1CC[C@@]2(CC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302226 1204990718 /nfs/dbraw/zinc/99/07/18/1204990718.db2.gz YRMZIKPLUOZIFB-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C2 ZINC001274380473 1205016039 /nfs/dbraw/zinc/01/60/39/1205016039.db2.gz CXVRIZJOXIPWHP-HXUWFJFHSA-N 0 3 346.471 2.370 20 10 EECDHN CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C2 ZINC001274380473 1205016043 /nfs/dbraw/zinc/01/60/43/1205016043.db2.gz CXVRIZJOXIPWHP-HXUWFJFHSA-N 0 3 346.471 2.370 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(C4COC4)C3=O)C2)c([O-])c1 ZINC001274780092 1205160608 /nfs/dbraw/zinc/16/06/08/1205160608.db2.gz RDGCEOYMUDCENF-FQEVSTJZSA-N 0 3 344.455 2.339 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CC[C@]3(CCN(C4COC4)C3=O)C2)c([O-])c1 ZINC001274780092 1205160610 /nfs/dbraw/zinc/16/06/10/1205160610.db2.gz RDGCEOYMUDCENF-FQEVSTJZSA-N 0 3 344.455 2.339 20 10 EECDHN Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000929279606 1206462254 /nfs/dbraw/zinc/46/22/54/1206462254.db2.gz ZLFMJIQGCNPEQN-MRXNPFEDSA-N 0 3 344.463 2.219 20 10 EECDHN CC[C@H](C)N1CC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184740 1234073433 /nfs/dbraw/zinc/07/34/33/1234073433.db2.gz FXPTZSKEXVRDJH-YOEHRIQHSA-N 0 3 346.475 2.418 20 10 EECDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211621 1293446446 /nfs/dbraw/zinc/44/64/46/1293446446.db2.gz XETHOSNVZXJGNY-IYBDPMFKSA-N 0 3 345.487 2.137 20 10 EECDHN [O-]c1c(Cl)cc(Cl)cc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222085696 1299337030 /nfs/dbraw/zinc/33/70/30/1299337030.db2.gz IPMYLXWBZOXRCE-UHFFFAOYSA-N 0 3 330.259 2.226 20 10 EECDHN [O-]c1c(CN2CC[NH2+]C[C@]3(CCCCN3)C2)cccc1C(F)(F)F ZINC001222684772 1299788169 /nfs/dbraw/zinc/78/81/69/1299788169.db2.gz KRTGOYZDXZQJJS-MRXNPFEDSA-N 0 3 343.393 2.329 20 10 EECDHN COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CC=CC3)CC2)c([O-])c1 ZINC001277457531 1303230654 /nfs/dbraw/zinc/23/06/54/1303230654.db2.gz OWUKDGJGBGHTFV-QGZVFWFLSA-N 0 3 342.439 2.401 20 10 EECDHN Cc1cccc(CN2CCC[C@@H](NC(=O)c3ccncc3)C2)c1O ZINC001231595507 1303860733 /nfs/dbraw/zinc/86/07/33/1303860733.db2.gz XPWKPESJVISOIM-QGZVFWFLSA-N 0 3 325.412 2.490 20 10 EECDHN Cc1ccc(C[NH2+]C23CC(C(=O)N4C[C@@H](C)O[C@@H](C)C4)(C2)C3)c([O-])c1 ZINC001277568800 1303922170 /nfs/dbraw/zinc/92/21/70/1303922170.db2.gz QWIQTFWCNMHOII-JNKARSBBSA-N 0 3 344.455 2.349 20 10 EECDHN CCOC[C@@H]1CN(Cc2ccc(N(C)C)cc2O)Cc2cnn(C)c21 ZINC001232838903 1304265813 /nfs/dbraw/zinc/26/58/13/1304265813.db2.gz NTOOKNPPKIFQQE-INIZCTEOSA-N 0 3 344.459 2.328 20 10 EECDHN COc1cc([O-])c(CN2CCC[N@H+](C)CC2)cc1Br ZINC001233135604 1304372206 /nfs/dbraw/zinc/37/22/06/1304372206.db2.gz WNKULUCMXINSOS-UHFFFAOYSA-N 0 3 329.238 2.301 20 10 EECDHN COc1cc([O-])c(CN2CCC[N@@H+](C)CC2)cc1Br ZINC001233135604 1304372215 /nfs/dbraw/zinc/37/22/15/1304372215.db2.gz WNKULUCMXINSOS-UHFFFAOYSA-N 0 3 329.238 2.301 20 10 EECDHN CCN1CCN(c2ccc(OC3CCN(C(C)=O)CC3)cc2)CC1 ZINC001234657803 1305002902 /nfs/dbraw/zinc/00/29/02/1305002902.db2.gz ITIHECITDDYMRX-UHFFFAOYSA-N 0 3 331.460 2.218 20 10 EECDHN CC(C)(C)c1cc([O-])c(CN2CCNC[C@@]23CC[NH2+]C3)cc1Cl ZINC001234989642 1305076174 /nfs/dbraw/zinc/07/61/74/1305076174.db2.gz AZYSXTVDIRAPKO-SFHVURJKSA-N 0 3 337.895 2.480 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3nccc(C)n3)C2)cc1OC ZINC001236755174 1305659405 /nfs/dbraw/zinc/65/94/05/1305659405.db2.gz ZTIMWWMVXMOUGP-CQSZACIVSA-N 0 3 345.399 2.161 20 10 EECDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001122154569 1310232224 /nfs/dbraw/zinc/23/22/24/1310232224.db2.gz NYAGTPFDMIRXNV-KBXCAEBGSA-N 0 3 333.476 2.027 20 10 EECDHN CCOC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)CCC1=O ZINC001139672057 1314757196 /nfs/dbraw/zinc/75/71/96/1314757196.db2.gz SFGYSLIRINOMSF-MRXNPFEDSA-N 0 3 332.444 2.405 20 10 EECDHN CCOC(=O)C1=C(O)CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139672057 1314757201 /nfs/dbraw/zinc/75/72/01/1314757201.db2.gz SFGYSLIRINOMSF-MRXNPFEDSA-N 0 3 332.444 2.405 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c([O-])c1 ZINC001249178432 1317018398 /nfs/dbraw/zinc/01/83/98/1317018398.db2.gz RHCDXXVUHKRDIB-INIZCTEOSA-N 0 3 333.428 2.092 20 10 EECDHN COc1cc(OC)c(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)cn1 ZINC001249338380 1317057382 /nfs/dbraw/zinc/05/73/82/1317057382.db2.gz BQDCCXWLBXKVRR-GFCCVEGCSA-N 0 3 342.355 2.097 20 10 EECDHN NCc1cnccc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001159437793 1319800599 /nfs/dbraw/zinc/80/05/99/1319800599.db2.gz BFQYCAYVZDIGMH-UHFFFAOYSA-N 0 3 329.359 2.481 20 10 EECDHN CCOc1cccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c1O ZINC001203610119 1321922313 /nfs/dbraw/zinc/92/23/13/1321922313.db2.gz WEXQIKCRQCYCJP-CALCHBBNSA-N 0 3 332.444 2.086 20 10 EECDHN COc1cnc(OC2CC[NH+](Cc3ccc(OC)cc3[O-])CC2)nc1 ZINC001203635036 1321929144 /nfs/dbraw/zinc/92/91/44/1321929144.db2.gz HCVZLYOUWBGJBN-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN COc1cnc(OC2CCN(Cc3ccc(OC)cc3O)CC2)nc1 ZINC001203635036 1321929147 /nfs/dbraw/zinc/92/91/47/1321929147.db2.gz HCVZLYOUWBGJBN-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN O=C1C[C@]2(CCN(Cc3ccc(O)c(O)c3)C2)CN1c1ccccn1 ZINC001203879406 1321981434 /nfs/dbraw/zinc/98/14/34/1321981434.db2.gz PQZVJTLBDGKIPV-IBGZPJMESA-N 0 3 339.395 2.122 20 10 EECDHN CC[C@H](C)C[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341882446 1337304580 /nfs/dbraw/zinc/30/45/80/1337304580.db2.gz OGZULVIMQMLFAJ-DAYGRLMNSA-N 0 3 333.476 2.401 20 10 EECDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000815557320 1368035368 /nfs/dbraw/zinc/03/53/68/1368035368.db2.gz QQYRRWBNULRYKK-ZDUSSCGKSA-N 0 3 326.462 2.084 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3ccccn3)C2)c(OC)c1 ZINC001141030859 1372745310 /nfs/dbraw/zinc/74/53/10/1372745310.db2.gz OBGDOJIAFDEAHU-ZDUSSCGKSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c(OC)c1 ZINC001141030859 1372745315 /nfs/dbraw/zinc/74/53/15/1372745315.db2.gz OBGDOJIAFDEAHU-ZDUSSCGKSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c(OC)c1 ZINC001141030859 1372745317 /nfs/dbraw/zinc/74/53/17/1372745317.db2.gz OBGDOJIAFDEAHU-ZDUSSCGKSA-N 0 3 330.384 2.458 20 10 EECDHN C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000894075536 780503503 /nfs/dbraw/zinc/50/35/03/780503503.db2.gz DLWSKPBQQGZGGF-GUYCJALGSA-N 0 3 339.430 2.128 20 10 EECDHN CC(C)NC(=O)NCCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000828062546 789178610 /nfs/dbraw/zinc/17/86/10/789178610.db2.gz KAYBVOGEJWNPAW-MRXNPFEDSA-N 0 3 335.448 2.081 20 10 EECDHN COC(=O)COc1ccccc1CNCc1cc(OC)ccc1O ZINC000921739970 795663169 /nfs/dbraw/zinc/66/31/69/795663169.db2.gz BNWMWYSEQWWECS-UHFFFAOYSA-N 0 3 331.368 2.242 20 10 EECDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185345221 463806553 /nfs/dbraw/zinc/80/65/53/463806553.db2.gz IZFHGCLBFDXUGD-HZPDHXFCSA-N 0 3 335.492 2.325 20 10 EECDHN COc1cc(Br)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[O-] ZINC000194539211 463879728 /nfs/dbraw/zinc/87/97/28/463879728.db2.gz FLWJQUYDDOLTAJ-TXEJJXNPSA-N 0 3 341.249 2.157 20 10 EECDHN COc1cc(Br)cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[O-] ZINC000194539211 463879730 /nfs/dbraw/zinc/87/97/30/463879730.db2.gz FLWJQUYDDOLTAJ-TXEJJXNPSA-N 0 3 341.249 2.157 20 10 EECDHN CCC[C@]1(CO)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000288744213 464057498 /nfs/dbraw/zinc/05/74/98/464057498.db2.gz HPNSIDHPVZOWAZ-FQEVSTJZSA-N 0 3 347.503 2.196 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CCC2(O)CCOCC2)c1[O-] ZINC000289396352 464076968 /nfs/dbraw/zinc/07/69/68/464076968.db2.gz ODDBNKQRXUTZMW-UHFFFAOYSA-N 0 3 344.249 2.484 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC[NH2+]C1 ZINC000236917785 464239007 /nfs/dbraw/zinc/23/90/07/464239007.db2.gz QVHMZBZHBNBING-SNVBAGLBSA-N 0 3 327.222 2.113 20 10 EECDHN C[C@H](CC[S@](C)=O)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271476601 464319999 /nfs/dbraw/zinc/31/99/99/464319999.db2.gz JUNLMICLDKJTPO-XXAQJILISA-N 0 3 342.480 2.470 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284757308 464324697 /nfs/dbraw/zinc/32/46/97/464324697.db2.gz LVEQTGABSQWLIF-MOPGFXCFSA-N 0 3 345.487 2.354 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000180727958 464381268 /nfs/dbraw/zinc/38/12/68/464381268.db2.gz UTOGCHULXOEOIB-GUYCJALGSA-N 0 3 331.416 2.080 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000180727958 464381276 /nfs/dbraw/zinc/38/12/76/464381276.db2.gz UTOGCHULXOEOIB-GUYCJALGSA-N 0 3 331.416 2.080 20 10 EECDHN COc1ccc(O)c(CN[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000271779463 464382668 /nfs/dbraw/zinc/38/26/68/464382668.db2.gz GMTIVNVTLOEPJG-KRWDZBQOSA-N 0 3 326.396 2.292 20 10 EECDHN CCN(CC)c1ccc(CN2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000293673799 464417074 /nfs/dbraw/zinc/41/70/74/464417074.db2.gz PCWAKGGFTOOAOY-LJQANCHMSA-N 0 3 343.475 2.454 20 10 EECDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000281391164 464437222 /nfs/dbraw/zinc/43/72/22/464437222.db2.gz WVSYPIDIRUQGAJ-KRWDZBQOSA-N 0 3 325.380 2.323 20 10 EECDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000281391164 464437225 /nfs/dbraw/zinc/43/72/25/464437225.db2.gz WVSYPIDIRUQGAJ-KRWDZBQOSA-N 0 3 325.380 2.323 20 10 EECDHN CN(C)CCN(Cc1ccco1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181182065 464454680 /nfs/dbraw/zinc/45/46/80/464454680.db2.gz BNKMWSPBNHPXMN-SOFGYWHQSA-N 0 3 330.384 2.294 20 10 EECDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000273486971 464718543 /nfs/dbraw/zinc/71/85/43/464718543.db2.gz NNTDLKIQJFDRHZ-KBPBESRZSA-N 0 3 330.432 2.413 20 10 EECDHN CCCOc1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)c(O)c1 ZINC000273731432 464724190 /nfs/dbraw/zinc/72/41/90/464724190.db2.gz KFBRAHUOHBSLGD-HNNXBMFYSA-N 0 3 333.432 2.217 20 10 EECDHN Cc1cc(Br)cc(CN2CCO[C@@H](CN(C)C)C2)c1O ZINC000183399332 464859778 /nfs/dbraw/zinc/85/97/78/464859778.db2.gz BLHUCPSZJQIZPM-AWEZNQCLSA-N 0 3 343.265 2.226 20 10 EECDHN COc1ccc(N2CCCN(C[C@H]3CC4(CC4)C(=O)O3)CC2)cc1 ZINC000365097594 466730657 /nfs/dbraw/zinc/73/06/57/466730657.db2.gz GDSBRTIEDSBGPL-QGZVFWFLSA-N 0 3 330.428 2.303 20 10 EECDHN CCOc1ccc(O)c(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000375691229 466863317 /nfs/dbraw/zinc/86/33/17/466863317.db2.gz JIPKYWFMKQBQBS-KRWDZBQOSA-N 0 3 331.416 2.460 20 10 EECDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000375691229 466863320 /nfs/dbraw/zinc/86/33/20/466863320.db2.gz JIPKYWFMKQBQBS-KRWDZBQOSA-N 0 3 331.416 2.460 20 10 EECDHN CN1CCN(c2ccc(CNC[C@@](C)(O)c3ccco3)cc2)CC1 ZINC000771843051 577233816 /nfs/dbraw/zinc/23/38/16/577233816.db2.gz PVPJLTRTSOEXKH-LJQANCHMSA-N 0 3 329.444 2.029 20 10 EECDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 ZINC000775368670 577436042 /nfs/dbraw/zinc/43/60/42/577436042.db2.gz DMQVICMYGSLDNX-JQWIXIFHSA-N 0 3 346.431 2.429 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(C1)OCc1ccccc13)[C@@H](O)CO2 ZINC000769778041 577584109 /nfs/dbraw/zinc/58/41/09/577584109.db2.gz QENQCIZFQJZVNX-AZUAARDMSA-N 0 3 339.391 2.449 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(C1)OCc1ccccc13)[C@@H](O)CO2 ZINC000769778041 577584110 /nfs/dbraw/zinc/58/41/10/577584110.db2.gz QENQCIZFQJZVNX-AZUAARDMSA-N 0 3 339.391 2.449 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1COCCO1 ZINC000753550011 577789788 /nfs/dbraw/zinc/78/97/88/577789788.db2.gz DYSFWZPTEYIJLB-GOSISDBHSA-N 0 3 329.396 2.476 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000756563028 577846867 /nfs/dbraw/zinc/84/68/67/577846867.db2.gz MDRCWSQPAKPEHA-OAHLLOKOSA-N 0 3 333.476 2.294 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](C)CC3)CC2)cc1 ZINC000745170972 577910142 /nfs/dbraw/zinc/91/01/42/577910142.db2.gz ZCBBJRVQMIMYIJ-QGZVFWFLSA-N 0 3 345.487 2.466 20 10 EECDHN CO[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC000891248649 676242724 /nfs/dbraw/zinc/24/27/24/676242724.db2.gz ZQDYNZLUWWZHKM-QZTJIDSGSA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncccc2F)N(C)C)cc1 ZINC000891248158 676243413 /nfs/dbraw/zinc/24/34/13/676243413.db2.gz WKBNQGVKQRRRTJ-MRXNPFEDSA-N 0 3 330.407 2.319 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@](C)(O)C2CCC2)N(C)C)cc1 ZINC000891249297 676243509 /nfs/dbraw/zinc/24/35/09/676243509.db2.gz QKLNZEYXGVOKPC-PKOBYXMFSA-N 0 3 333.476 2.023 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CC2(O)CCCC2)N(C)C)cc1 ZINC000891253114 676248938 /nfs/dbraw/zinc/24/89/38/676248938.db2.gz QRDBCNQYLPVJHC-QGZVFWFLSA-N 0 3 333.476 2.167 20 10 EECDHN COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891255475 676252771 /nfs/dbraw/zinc/25/27/71/676252771.db2.gz QCBVGDAMNMWZCB-QGZVFWFLSA-N 0 3 342.443 2.189 20 10 EECDHN CCO[C@@H]1C[C@@](N)(C(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000326085655 676540419 /nfs/dbraw/zinc/54/04/19/676540419.db2.gz YREDVHRBKMBHIK-VQIMIIECSA-N 0 3 333.476 2.244 20 10 EECDHN CO[C@H](C)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894349866 682588627 /nfs/dbraw/zinc/58/86/27/682588627.db2.gz WAFGBWATFRKSFE-JJRVBVJISA-N 0 3 336.480 2.078 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCOC2)N(C)C)cc1 ZINC000899102605 693606838 /nfs/dbraw/zinc/60/68/38/693606838.db2.gz RFZALLUNMFSHSU-YJBOKZPZSA-N 0 3 348.491 2.033 20 10 EECDHN COc1cccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)c1O ZINC000841998967 1188216965 /nfs/dbraw/zinc/21/69/65/1188216965.db2.gz XHBXBMHUFNLFEW-INIZCTEOSA-N 0 3 341.411 2.087 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CCc2cn[nH]c2)c1[O-] ZINC000810166456 1199307189 /nfs/dbraw/zinc/30/71/89/1199307189.db2.gz SWMWPIAMRZXHMT-UHFFFAOYSA-N 0 3 326.194 2.219 20 10 EECDHN Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1ccccc1O ZINC000877756254 1200075938 /nfs/dbraw/zinc/07/59/38/1200075938.db2.gz BXPRNANMRVNAAE-CYBMUJFWSA-N 0 3 330.432 2.122 20 10 EECDHN Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756254 1200075945 /nfs/dbraw/zinc/07/59/45/1200075945.db2.gz BXPRNANMRVNAAE-CYBMUJFWSA-N 0 3 330.432 2.122 20 10 EECDHN CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882980093 1201990131 /nfs/dbraw/zinc/99/01/31/1201990131.db2.gz YOKMQJQBDGMTBW-CYBMUJFWSA-N 0 3 327.419 2.034 20 10 EECDHN Cc1cc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)nn1C ZINC000883290135 1202041211 /nfs/dbraw/zinc/04/12/11/1202041211.db2.gz LIJFYRYHPIIMNL-MRXNPFEDSA-N 0 3 327.476 2.331 20 10 EECDHN CNC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001274122561 1204387137 /nfs/dbraw/zinc/38/71/37/1204387137.db2.gz OCNCCDMMKGFAMM-ZDUSSCGKSA-N 0 3 338.835 2.402 20 10 EECDHN CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(OC)c1[O-])CC2 ZINC001274122561 1204387142 /nfs/dbraw/zinc/38/71/42/1204387142.db2.gz OCNCCDMMKGFAMM-ZDUSSCGKSA-N 0 3 338.835 2.402 20 10 EECDHN CCOc1ccc(N2CCC[C@@]23CCN(CCN(C)C)C3=O)cc1 ZINC001274799957 1205167824 /nfs/dbraw/zinc/16/78/24/1205167824.db2.gz XJGSYXVZSASBCD-IBGZPJMESA-N 0 3 331.460 2.218 20 10 EECDHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000779020911 1208444044 /nfs/dbraw/zinc/44/40/44/1208444044.db2.gz VQHMFFBMEMGILF-CJNGLKHVSA-N 0 3 341.459 2.271 20 10 EECDHN CC(C)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000193849317 1211024823 /nfs/dbraw/zinc/02/48/23/1211024823.db2.gz FTECOECHZAXAJJ-UHFFFAOYSA-N 0 3 349.450 2.151 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@@](C)(C3CC3)C2=O)N(C)C)cc1 ZINC000900184764 1234073177 /nfs/dbraw/zinc/07/31/77/1234073177.db2.gz GGTKANDQHXJYFW-LPHOPBHVSA-N 0 3 344.459 2.076 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)[C@@H]3CCCCN3C2=O)N(C)C)cc1 ZINC000900185684 1234073613 /nfs/dbraw/zinc/07/36/13/1234073613.db2.gz QYERRTKFKWYFBT-IRXDYDNUSA-N 0 3 344.459 2.172 20 10 EECDHN COc1cc(Br)cc(C[NH2+][C@@H](C)C2(CO)CC2)c1[O-] ZINC000850360215 1277197077 /nfs/dbraw/zinc/19/70/77/1277197077.db2.gz BSCXSYBFCKJPPX-VIFPVBQESA-N 0 3 330.222 2.414 20 10 EECDHN CC[C@@H](C)N1CC[C@]2(CCCN2Cc2cc(OC)c(O)cc2O)C1=O ZINC001273787779 1285864480 /nfs/dbraw/zinc/86/44/80/1285864480.db2.gz DYOSKOFSFKUTCI-BFUOFWGJSA-N 0 3 348.443 2.472 20 10 EECDHN COc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C)c([O-])cc1Br ZINC001276788965 1297699223 /nfs/dbraw/zinc/69/92/23/1297699223.db2.gz FDOCVZIOOVLAHO-STQMWFEESA-N 0 3 341.249 2.442 20 10 EECDHN COc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)c([O-])cc1Br ZINC001276788965 1297699225 /nfs/dbraw/zinc/69/92/25/1297699225.db2.gz FDOCVZIOOVLAHO-STQMWFEESA-N 0 3 341.249 2.442 20 10 EECDHN CCN(CC)c1ccc(CN2CC3(C[C@@H]3C(=O)N(C)C)C2)c(O)c1 ZINC001277533607 1303847459 /nfs/dbraw/zinc/84/74/59/1303847459.db2.gz LQFHSXAKXWAEEE-MRXNPFEDSA-N 0 3 331.460 2.149 20 10 EECDHN Cc1cccc(CN2CCC[C@@H](NC(=O)c3ccccn3)C2)c1O ZINC001231594370 1303860077 /nfs/dbraw/zinc/86/00/77/1303860077.db2.gz CIIFPNLGVXXXJH-MRXNPFEDSA-N 0 3 325.412 2.490 20 10 EECDHN Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC3COC3)CC2)c([O-])c1 ZINC001277569085 1303922927 /nfs/dbraw/zinc/92/29/27/1303922927.db2.gz VGHAGJIFAAGCTF-KRWDZBQOSA-N 0 3 344.455 2.065 20 10 EECDHN Cc1ccc(CN2CC3(C2)SCC[C@H]3C(=O)N2CC=CC2)c(O)c1 ZINC001277569233 1303923005 /nfs/dbraw/zinc/92/30/05/1303923005.db2.gz YRKZIICGTNOPPV-INIZCTEOSA-N 0 3 344.480 2.407 20 10 EECDHN COc1ccnc(N2CCN(Cc3ccc(N(C)C)cc3O)CC2)c1 ZINC001232841603 1304268212 /nfs/dbraw/zinc/26/82/12/1304268212.db2.gz LFZPGTUTKFPVOV-UHFFFAOYSA-N 0 3 342.443 2.184 20 10 EECDHN CCOC(=O)c1c(CN2C[C@@H]3C[C@H]2CN3C)c2ccccc2n1C ZINC001233272854 1304412669 /nfs/dbraw/zinc/41/26/69/1304412669.db2.gz DWCICFZQDBUXDK-KBPBESRZSA-N 0 3 327.428 2.243 20 10 EECDHN COc1cc(Cl)cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c1O ZINC001233289107 1304417995 /nfs/dbraw/zinc/41/79/95/1304417995.db2.gz KDCUZYQHUGWWIW-NHAGDIPZSA-N 0 3 338.835 2.257 20 10 EECDHN COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)CC12CC2 ZINC001233291311 1304418645 /nfs/dbraw/zinc/41/86/45/1304418645.db2.gz VRNQXLSQEHHJMG-LBPRGKRZSA-N 0 3 325.792 2.439 20 10 EECDHN COc1ccccc1CCNC(=O)CNCc1cccc(C)c1O ZINC000798087202 1304917911 /nfs/dbraw/zinc/91/79/11/1304917911.db2.gz NZDHXOALCUZCMV-UHFFFAOYSA-N 0 3 328.412 2.158 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CC[C@]3([NH3+])C2)c(Br)c1 ZINC001235986267 1305468876 /nfs/dbraw/zinc/46/88/76/1305468876.db2.gz DOKFYVTTYZDMRV-OTYXRUKQSA-N 0 3 327.222 2.086 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3ncc(C)cn3)C2)cc1OC ZINC001236753317 1305659560 /nfs/dbraw/zinc/65/95/60/1305659560.db2.gz LMKAVRSIJRJVFW-CQSZACIVSA-N 0 3 345.399 2.161 20 10 EECDHN CCc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c([O-])c1 ZINC001236789840 1305678029 /nfs/dbraw/zinc/67/80/29/1305678029.db2.gz TYCYFGXSIVSKMI-UHFFFAOYSA-N 0 3 332.444 2.025 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(OC)cn3)C2)c([O-])c1 ZINC001237046938 1305776746 /nfs/dbraw/zinc/77/67/46/1305776746.db2.gz IFZZSBMQBUFNMJ-OAHLLOKOSA-N 0 3 345.399 2.243 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ncc(OC)cn3)C2)c([O-])c1 ZINC001237046938 1305776753 /nfs/dbraw/zinc/77/67/53/1305776753.db2.gz IFZZSBMQBUFNMJ-OAHLLOKOSA-N 0 3 345.399 2.243 20 10 EECDHN COc1cc([O-])c(CN2CC(C)([NH+](C)C)C2)c(Br)c1 ZINC001237073021 1305788371 /nfs/dbraw/zinc/78/83/71/1305788371.db2.gz NGGHEQNHJZIRSJ-UHFFFAOYSA-N 0 3 329.238 2.299 20 10 EECDHN COc1cc(CN2CCC(c3noc(C)n3)CC2)c(O)c(OC)c1 ZINC001237677276 1306040152 /nfs/dbraw/zinc/04/01/52/1306040152.db2.gz YREXNBNFOCAJOG-UHFFFAOYSA-N 0 3 333.388 2.480 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)cc1Br ZINC001237681141 1306045765 /nfs/dbraw/zinc/04/57/65/1306045765.db2.gz HMGDKXPVUQBXEW-CMPLNLGQSA-N 0 3 339.233 2.031 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)cc1Br ZINC001237681141 1306045776 /nfs/dbraw/zinc/04/57/76/1306045776.db2.gz HMGDKXPVUQBXEW-CMPLNLGQSA-N 0 3 339.233 2.031 20 10 EECDHN CCN1CCN(c2ccc(CN3CCn4nccc4C3)cc2)CC1 ZINC001140309587 1314865074 /nfs/dbraw/zinc/86/50/74/1314865074.db2.gz MUULZPKIJMMCRS-UHFFFAOYSA-N 0 3 325.460 2.041 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+](CCO)Cc2cccs2)c([O-])c1 ZINC001249201181 1317021317 /nfs/dbraw/zinc/02/13/17/1317021317.db2.gz JIKVZHGUGIDVCR-UHFFFAOYSA-N 0 3 335.425 2.164 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+](CCO)Cc2cccs2)c([O-])c1 ZINC001249201181 1317021326 /nfs/dbraw/zinc/02/13/26/1317021326.db2.gz JIKVZHGUGIDVCR-UHFFFAOYSA-N 0 3 335.425 2.164 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CCCOCC2)c([O-])c1 ZINC001249725612 1317159660 /nfs/dbraw/zinc/15/96/60/1317159660.db2.gz RBOMFMVEILEEQH-UHFFFAOYSA-N 0 3 337.416 2.337 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CCCOCC2)c([O-])c1 ZINC001249725612 1317159663 /nfs/dbraw/zinc/15/96/63/1317159663.db2.gz RBOMFMVEILEEQH-UHFFFAOYSA-N 0 3 337.416 2.337 20 10 EECDHN CCOC(=O)CCCOc1ccc(CN2CC[C@]23CCOC3)c(O)c1 ZINC001249742871 1317162762 /nfs/dbraw/zinc/16/27/62/1317162762.db2.gz CFVLYRHKWZLIHG-LJQANCHMSA-N 0 3 349.427 2.479 20 10 EECDHN Cc1cc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])cc1Br ZINC001250120342 1317215136 /nfs/dbraw/zinc/21/51/36/1317215136.db2.gz BJNFLKLLYUBYJC-GFCCVEGCSA-N 0 3 346.265 2.417 20 10 EECDHN Cc1cc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c([O-])cc1Br ZINC001250120342 1317215141 /nfs/dbraw/zinc/21/51/41/1317215141.db2.gz BJNFLKLLYUBYJC-GFCCVEGCSA-N 0 3 346.265 2.417 20 10 EECDHN O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203555903 1321911411 /nfs/dbraw/zinc/91/14/11/1321911411.db2.gz JVIRFCAQMPSKIT-LJQANCHMSA-N 0 3 338.411 2.201 20 10 EECDHN O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203555903 1321911413 /nfs/dbraw/zinc/91/14/13/1321911413.db2.gz JVIRFCAQMPSKIT-LJQANCHMSA-N 0 3 338.411 2.201 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@@](F)(CN)C1 ZINC001206352092 1323467060 /nfs/dbraw/zinc/46/70/60/1323467060.db2.gz OAQKUTCCBUPKOX-GOSISDBHSA-N 0 3 334.391 2.460 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC[C@@](F)(CN)C1 ZINC001206352092 1323467065 /nfs/dbraw/zinc/46/70/65/1323467065.db2.gz OAQKUTCCBUPKOX-GOSISDBHSA-N 0 3 334.391 2.460 20 10 EECDHN CN1CCN(c2ccc(CN3C[C@H]4[C@@H](C3)C4(F)F)cc2F)CC1 ZINC001326484235 1334102485 /nfs/dbraw/zinc/10/24/85/1334102485.db2.gz NTLAMXSUMJKJHF-OKILXGFUSA-N 0 3 325.378 2.274 20 10 EECDHN CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963545 1349082847 /nfs/dbraw/zinc/08/28/47/1349082847.db2.gz LAZWDSKBKNBVPR-KBPBESRZSA-N 0 3 344.463 2.343 20 10 EECDHN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+](CCO)C[C@@H]2c1ccc(O)cc1 ZINC000027848601 1352373354 /nfs/dbraw/zinc/37/33/54/1352373354.db2.gz HJRPNGSEOMMOOX-OAHLLOKOSA-N 0 3 349.814 2.439 20 10 EECDHN [O-]c1c(O)cc2c(c1Cl)CC[N@H+](CCO)C[C@@H]2c1ccc(O)cc1 ZINC000027848601 1352373357 /nfs/dbraw/zinc/37/33/57/1352373357.db2.gz HJRPNGSEOMMOOX-OAHLLOKOSA-N 0 3 349.814 2.439 20 10 EECDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1cccc(O)c1O ZINC000855529432 1369394351 /nfs/dbraw/zinc/39/43/51/1369394351.db2.gz OZPVCEKLTIBLDA-UHFFFAOYSA-N 0 3 341.411 2.135 20 10 EECDHN CC(=O)Nc1ccnc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001167423096 758343748 /nfs/dbraw/zinc/34/37/48/758343748.db2.gz MYPXZQRKEDPLQB-UHFFFAOYSA-N 0 3 339.443 2.404 20 10 EECDHN C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1[O-] ZINC000180240989 774650034 /nfs/dbraw/zinc/65/00/34/774650034.db2.gz IZFQGNIRRBYIEK-UHFFFAOYSA-N 0 3 328.343 2.259 20 10 EECDHN C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1[O-] ZINC000180240989 774650038 /nfs/dbraw/zinc/65/00/38/774650038.db2.gz IZFQGNIRRBYIEK-UHFFFAOYSA-N 0 3 328.343 2.259 20 10 EECDHN CN(CCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1O ZINC000180240989 774650040 /nfs/dbraw/zinc/65/00/40/774650040.db2.gz IZFQGNIRRBYIEK-UHFFFAOYSA-N 0 3 328.343 2.259 20 10 EECDHN COCCOCC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000809790049 783395148 /nfs/dbraw/zinc/39/51/48/783395148.db2.gz UYENMAOTMVBDME-UHFFFAOYSA-N 0 3 348.237 2.258 20 10 EECDHN COCCOCC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000809790049 783395155 /nfs/dbraw/zinc/39/51/55/783395155.db2.gz UYENMAOTMVBDME-UHFFFAOYSA-N 0 3 348.237 2.258 20 10 EECDHN COc1cc(NC(=O)CNCc2cc(C)ccc2O)cc(OC)c1 ZINC000822490612 787206228 /nfs/dbraw/zinc/20/62/28/787206228.db2.gz ZJRGUTJJQORJFM-UHFFFAOYSA-N 0 3 330.384 2.446 20 10 EECDHN CCc1nc(CNCc2cc(Br)cc(OC)c2O)n[nH]1 ZINC000824446529 788173573 /nfs/dbraw/zinc/17/35/73/788173573.db2.gz YTHACBAEBUBVTE-UHFFFAOYSA-N 0 3 341.209 2.134 20 10 EECDHN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000846442796 790185491 /nfs/dbraw/zinc/18/54/91/790185491.db2.gz YBIMJIBUDVPMTD-GOSISDBHSA-N 0 3 331.460 2.217 20 10 EECDHN COC1CCN(c2ccc(CN3CCC[C@H]3C(=O)N(C)C)cc2)CC1 ZINC000296450680 465198762 /nfs/dbraw/zinc/19/87/62/465198762.db2.gz IPZLWPGLDCDQRF-IBGZPJMESA-N 0 3 345.487 2.354 20 10 EECDHN O=C1CCCCN1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000126578981 463649327 /nfs/dbraw/zinc/64/93/27/463649327.db2.gz WTPAMGWZAJEBPN-UHFFFAOYSA-N 0 3 332.400 2.098 20 10 EECDHN CNC(=O)CN1CCC([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000184995208 463732250 /nfs/dbraw/zinc/73/22/50/463732250.db2.gz CXLBKRMJMUKPNX-CQSZACIVSA-N 0 3 345.487 2.132 20 10 EECDHN C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000268884181 463795204 /nfs/dbraw/zinc/79/52/04/463795204.db2.gz KVIYYDOHDDEZNK-KBXCAEBGSA-N 0 3 341.459 2.332 20 10 EECDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000269021786 463848829 /nfs/dbraw/zinc/84/88/29/463848829.db2.gz PSVUCFYERLXLOR-ZBFHGGJFSA-N 0 3 339.505 2.217 20 10 EECDHN C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCN3)cc2F)C[C@H](C)O1 ZINC000269260833 463931479 /nfs/dbraw/zinc/93/14/79/463931479.db2.gz WHPHSBTVZCZHTH-GRDNDAEWSA-N 0 3 349.450 2.198 20 10 EECDHN C[C@H]1CN(CCCNC(=O)N(C)Cc2ccccc2O)CCCO1 ZINC000277782275 463931618 /nfs/dbraw/zinc/93/16/18/463931618.db2.gz UIPHBSQZBOBHKO-HNNXBMFYSA-N 0 3 335.448 2.035 20 10 EECDHN C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1[O-] ZINC000171926870 463952669 /nfs/dbraw/zinc/95/26/69/463952669.db2.gz GHIKLLVUIFCVKX-UHFFFAOYSA-N 0 3 341.411 2.240 20 10 EECDHN C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1[O-] ZINC000171926870 463952676 /nfs/dbraw/zinc/95/26/76/463952676.db2.gz GHIKLLVUIFCVKX-UHFFFAOYSA-N 0 3 341.411 2.240 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@]2(CCO)CCOC2)c1[O-] ZINC000278581824 463971381 /nfs/dbraw/zinc/97/13/81/463971381.db2.gz DGLYYBJRMDNQAK-CQSZACIVSA-N 0 3 330.222 2.094 20 10 EECDHN C[C@H]1CN(CCCC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)O1 ZINC000237667856 464360985 /nfs/dbraw/zinc/36/09/85/464360985.db2.gz GHRKMQXXCOSUAP-KBPBESRZSA-N 0 3 337.420 2.279 20 10 EECDHN Cc1cc(CN(C)C[C@@H](O)COCCOC(C)C)ccc1N(C)C ZINC000293141600 464388999 /nfs/dbraw/zinc/38/89/99/464388999.db2.gz QKXFVCLQTPWWEU-GOSISDBHSA-N 0 3 338.492 2.295 20 10 EECDHN COCCN1CC[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000271876015 464397837 /nfs/dbraw/zinc/39/78/37/464397837.db2.gz ZFCSLFJEXFYRFR-AWEZNQCLSA-N 0 3 343.265 2.273 20 10 EECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000293923056 464425830 /nfs/dbraw/zinc/42/58/30/464425830.db2.gz XLOYXBPBBZDKTN-CQSZACIVSA-N 0 3 340.489 2.331 20 10 EECDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000282487550 464837360 /nfs/dbraw/zinc/83/73/60/464837360.db2.gz XGNWFGGKVRIXHG-YGRLFVJLSA-N 0 3 329.366 2.386 20 10 EECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1F ZINC000282870455 464983625 /nfs/dbraw/zinc/98/36/25/464983625.db2.gz ZNZDJTJDMIXZBZ-QGZVFWFLSA-N 0 3 337.439 2.042 20 10 EECDHN Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000184728679 465022609 /nfs/dbraw/zinc/02/26/09/465022609.db2.gz DOXMHXVUCAFMEZ-CYBMUJFWSA-N 0 3 329.400 2.309 20 10 EECDHN Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000184728679 465022611 /nfs/dbraw/zinc/02/26/11/465022611.db2.gz DOXMHXVUCAFMEZ-CYBMUJFWSA-N 0 3 329.400 2.309 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1OC ZINC000371366628 465745356 /nfs/dbraw/zinc/74/53/56/465745356.db2.gz NFPAAPFPZOBXSX-OAHLLOKOSA-N 0 3 348.443 2.386 20 10 EECDHN C[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367411686 466318666 /nfs/dbraw/zinc/31/86/66/466318666.db2.gz BKBIXTFFOCISBH-KDOFPFPSSA-N 0 3 331.460 2.183 20 10 EECDHN CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000369293737 466724258 /nfs/dbraw/zinc/72/42/58/466724258.db2.gz NYDLGAWUUKAYKG-CQSZACIVSA-N 0 3 334.441 2.059 20 10 EECDHN CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000369293737 466724261 /nfs/dbraw/zinc/72/42/61/466724261.db2.gz NYDLGAWUUKAYKG-CQSZACIVSA-N 0 3 334.441 2.059 20 10 EECDHN COC(=O)c1cn([C@@H]2CCCN(Cc3cc(C)c(C)cc3O)C2)nn1 ZINC000375169978 466828167 /nfs/dbraw/zinc/82/81/67/466828167.db2.gz CKVPDEJPCIFTSV-OAHLLOKOSA-N 0 3 344.415 2.224 20 10 EECDHN COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)nn1 ZINC000375169978 466828173 /nfs/dbraw/zinc/82/81/73/466828173.db2.gz CKVPDEJPCIFTSV-OAHLLOKOSA-N 0 3 344.415 2.224 20 10 EECDHN COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)nn1 ZINC000375169978 466828178 /nfs/dbraw/zinc/82/81/78/466828178.db2.gz CKVPDEJPCIFTSV-OAHLLOKOSA-N 0 3 344.415 2.224 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1C ZINC000375849447 466879365 /nfs/dbraw/zinc/87/93/65/466879365.db2.gz PTWSWSXTPMQOOU-CKFHNAJUSA-N 0 3 345.443 2.380 20 10 EECDHN Cc1cccc(N(CCC(N)=O)C(=O)c2cccc3c2CCNC3)c1 ZINC000662550442 472150069 /nfs/dbraw/zinc/15/00/69/472150069.db2.gz DPHYWBVXNPCLBL-UHFFFAOYSA-N 0 3 337.423 2.163 20 10 EECDHN CN(CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])S(C)(=O)=O ZINC000725847173 576066688 /nfs/dbraw/zinc/06/66/88/576066688.db2.gz FQNUMDWVKSTUFM-UHFFFAOYSA-N 0 3 348.468 2.430 20 10 EECDHN CCN(C)c1ccc(CN2CCN([C@@H]3CCCN(C)C3)CC2)cc1 ZINC000773775109 577363923 /nfs/dbraw/zinc/36/39/23/577363923.db2.gz WOCWNKJVEBFSMD-HXUWFJFHSA-N 0 3 330.520 2.355 20 10 EECDHN COCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000775655448 577441874 /nfs/dbraw/zinc/44/18/74/577441874.db2.gz FJHMHUHESWOHGR-UHFFFAOYSA-N 0 3 326.824 2.081 20 10 EECDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776252088 577455640 /nfs/dbraw/zinc/45/56/40/577455640.db2.gz GUMRUTUKRKMLJZ-QWHCGFSZSA-N 0 3 341.249 2.467 20 10 EECDHN COC[C@@](C)(O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765936820 577509462 /nfs/dbraw/zinc/50/94/62/577509462.db2.gz LVQZOVXMOREVJL-DYVFJYSZSA-N 0 3 342.867 2.225 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000770332982 577594093 /nfs/dbraw/zinc/59/40/93/577594093.db2.gz UBQQJZJLPWDLCA-GUYCJALGSA-N 0 3 331.416 2.080 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000770332982 577594094 /nfs/dbraw/zinc/59/40/94/577594094.db2.gz UBQQJZJLPWDLCA-GUYCJALGSA-N 0 3 331.416 2.080 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CCOC3)CC2)cc1 ZINC000761056979 577675200 /nfs/dbraw/zinc/67/52/00/577675200.db2.gz AXIAKNCOHMUEJH-UHFFFAOYSA-N 0 3 345.487 2.214 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000756550839 577846512 /nfs/dbraw/zinc/84/65/12/577846512.db2.gz SUNZXNTUCQHUIS-CHWSQXEVSA-N 0 3 339.867 2.284 20 10 EECDHN CNc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000891246885 676240469 /nfs/dbraw/zinc/24/04/69/676240469.db2.gz QRHNSKYLOHNSBU-HNNXBMFYSA-N 0 3 347.488 2.284 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CC2CCOCC2)N(C)C)cc1 ZINC000891250645 676245429 /nfs/dbraw/zinc/24/54/29/676245429.db2.gz BHAYJIPTOBVTFN-SFHVURJKSA-N 0 3 333.476 2.288 20 10 EECDHN COc1cc(C)cc(CNCCS(=O)(=O)c2ccccc2)c1O ZINC000894200063 681214886 /nfs/dbraw/zinc/21/48/86/681214886.db2.gz IJLSNKXLQAHCJU-UHFFFAOYSA-N 0 3 335.425 2.273 20 10 EECDHN Cc1ccc(C[NH2+]CCN2Cc3ccccc3OCC2=O)c([O-])c1 ZINC000896280134 684926153 /nfs/dbraw/zinc/92/61/53/684926153.db2.gz LYOZNNFWKUVKCF-UHFFFAOYSA-N 0 3 326.396 2.211 20 10 EECDHN CC[C@@H]1COCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101354 693606465 /nfs/dbraw/zinc/60/64/65/693606465.db2.gz JPDAUYIXWGPOMF-AEFFLSMTSA-N 0 3 348.491 2.176 20 10 EECDHN Cc1ccc(C[NH+]2CCC3(CCC(=O)N(C4COC4)C3)CC2)c([O-])c1 ZINC001272765320 1193487112 /nfs/dbraw/zinc/48/71/12/1193487112.db2.gz HGCQCSZFNRVANR-UHFFFAOYSA-N 0 3 344.455 2.304 20 10 EECDHN O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(F)ccc2O)N1CC(F)F ZINC001273285283 1197954243 /nfs/dbraw/zinc/95/42/43/1197954243.db2.gz PFJBMNYSNIOKIY-CHWSQXEVSA-N 0 3 328.334 2.362 20 10 EECDHN COc1ccc(CN[C@H](CO)CC(F)F)cc1Cn1cccn1 ZINC000873114596 1198502839 /nfs/dbraw/zinc/50/28/39/1198502839.db2.gz MDEIWVIESYKOLU-AWEZNQCLSA-N 0 3 325.359 2.046 20 10 EECDHN C[C@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000879650229 1201193763 /nfs/dbraw/zinc/19/37/63/1201193763.db2.gz QLOUYHRWQXSFPC-SCLBCKFNSA-N 0 3 336.432 2.415 20 10 EECDHN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccccc2[O-])n(C)n1 ZINC001275267598 1205294602 /nfs/dbraw/zinc/29/46/02/1205294602.db2.gz SNWWOPVJMYFDLY-ROUUACIJSA-N 0 3 326.444 2.283 20 10 EECDHN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccccc2[O-])n(C)n1 ZINC001275267598 1205294604 /nfs/dbraw/zinc/29/46/04/1205294604.db2.gz SNWWOPVJMYFDLY-ROUUACIJSA-N 0 3 326.444 2.283 20 10 EECDHN Cc1cc(CN2CC3(C2)CN(Cc2cccc(C)c2O)C3)n(C)n1 ZINC001276080681 1205764013 /nfs/dbraw/zinc/76/40/13/1205764013.db2.gz SBRBVSSYLVSMDS-UHFFFAOYSA-N 0 3 326.444 2.060 20 10 EECDHN CCO[C@H]1C[C@@](N)(C(=O)NCCCSc2nccs2)C1(C)C ZINC000187778738 1208541062 /nfs/dbraw/zinc/54/10/62/1208541062.db2.gz VUQGSWRNTJDEQZ-XHDPSFHLSA-N 0 3 343.518 2.274 20 10 EECDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000188135903 1208626474 /nfs/dbraw/zinc/62/64/74/1208626474.db2.gz FNBJTRVMVWEEPK-CRAIPNDOSA-N 0 3 337.439 2.040 20 10 EECDHN CCC[C@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184359 1234072749 /nfs/dbraw/zinc/07/27/49/1234072749.db2.gz AFOILHSNFUGRLT-CVEARBPZSA-N 0 3 332.448 2.076 20 10 EECDHN CCCCN(CC(=O)NC(=O)NCC(C)C)Cc1ccccc1O ZINC000801595953 1235885193 /nfs/dbraw/zinc/88/51/93/1235885193.db2.gz WOQLRVCALKJMSR-UHFFFAOYSA-N 0 3 335.448 2.476 20 10 EECDHN CNC(=O)C1CCN(Cc2cc(C)c(Br)cc2O)CC1 ZINC001250121034 1278581200 /nfs/dbraw/zinc/58/12/00/1278581200.db2.gz ZULZSXXMDGBAGX-UHFFFAOYSA-N 0 3 341.249 2.421 20 10 EECDHN CNC(=O)C1CC[NH+](Cc2cc(C)c(Br)cc2[O-])CC1 ZINC001250121034 1278581207 /nfs/dbraw/zinc/58/12/07/1278581207.db2.gz ZULZSXXMDGBAGX-UHFFFAOYSA-N 0 3 341.249 2.421 20 10 EECDHN C[C@H](Cn1cncn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000850436677 1277223842 /nfs/dbraw/zinc/22/38/42/1277223842.db2.gz VYBCODPXJNCDPY-CJNGLKHVSA-N 0 3 349.866 2.280 20 10 EECDHN CC(=O)N1CC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000856810755 1293643455 /nfs/dbraw/zinc/64/34/55/1293643455.db2.gz VOKYPYBLJDFTFY-MRXNPFEDSA-N 0 3 346.431 2.296 20 10 EECDHN CCOc1ccc(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)c([O-])c1 ZINC000857061254 1293710489 /nfs/dbraw/zinc/71/04/89/1293710489.db2.gz MZHCJLHFUZDBMZ-IBGZPJMESA-N 0 3 345.443 2.470 20 10 EECDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001211355420 1295840435 /nfs/dbraw/zinc/84/04/35/1295840435.db2.gz YUFPPQOZZWRNEI-IBGZPJMESA-N 0 3 341.455 2.431 20 10 EECDHN Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c([O-])c1 ZINC000877038972 1296617135 /nfs/dbraw/zinc/61/71/35/1296617135.db2.gz CMKDFNSTHLQTPY-UHFFFAOYSA-N 0 3 348.415 2.055 20 10 EECDHN O=C1c2cccc(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)c2C(=O)c2cccc([O-])c21 ZINC001218330995 1297632592 /nfs/dbraw/zinc/63/25/92/1297632592.db2.gz OZVNTBYKEAQZGK-YNZJMPHRSA-N 0 3 335.359 2.154 20 10 EECDHN O=C(NCCc1ccccn1)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277441808 1303030678 /nfs/dbraw/zinc/03/06/78/1303030678.db2.gz POZIYOQPLYXXDR-UHFFFAOYSA-N 0 3 337.423 2.158 20 10 EECDHN COc1cc(CN2CCC(N(C)C(=O)C(C)C)CC2)c(O)cc1O ZINC001231639205 1303875153 /nfs/dbraw/zinc/87/51/53/1303875153.db2.gz FLRSHHNYJXJMRO-UHFFFAOYSA-N 0 3 336.432 2.185 20 10 EECDHN COc1cc(CN2CCC(Oc3cc(C)ncn3)CC2)c(O)cc1O ZINC001231639730 1303876264 /nfs/dbraw/zinc/87/62/64/1303876264.db2.gz IKBSFDLZQGBOLY-UHFFFAOYSA-N 0 3 345.399 2.248 20 10 EECDHN Cc1cc([O-])c(CN2CCN(CCC[NH+](C)C)CC2)cc1Cl ZINC001231870710 1303934925 /nfs/dbraw/zinc/93/49/25/1303934925.db2.gz PDTPCZMCKVAWPH-UHFFFAOYSA-N 0 3 325.884 2.423 20 10 EECDHN Cc1cccc(N2CCN(Cc3ccc(N(C)C)cc3O)CC2)n1 ZINC001232834755 1304264608 /nfs/dbraw/zinc/26/46/08/1304264608.db2.gz LPUZPPIDDGVKIM-UHFFFAOYSA-N 0 3 326.444 2.484 20 10 EECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(CC)cc1[O-])C2 ZINC001236785068 1305674194 /nfs/dbraw/zinc/67/41/94/1305674194.db2.gz DXJAJKYTAOWLDT-IEBWSBKVSA-N 0 3 333.428 2.499 20 10 EECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(CC)cc1[O-])C2 ZINC001236785068 1305674214 /nfs/dbraw/zinc/67/42/14/1305674214.db2.gz DXJAJKYTAOWLDT-IEBWSBKVSA-N 0 3 333.428 2.499 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001237052381 1305781062 /nfs/dbraw/zinc/78/10/62/1305781062.db2.gz WANPLIRNFWFXTE-NXHRZFHOSA-N 0 3 332.444 2.336 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001237052381 1305781064 /nfs/dbraw/zinc/78/10/64/1305781064.db2.gz WANPLIRNFWFXTE-NXHRZFHOSA-N 0 3 332.444 2.336 20 10 EECDHN CCn1ncc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000838943091 1315195749 /nfs/dbraw/zinc/19/57/49/1315195749.db2.gz GGULUAVHNJNGPE-OAHLLOKOSA-N 0 3 349.866 2.411 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CC2(N(C)C)CC2)c1[O-] ZINC000841891078 1315631329 /nfs/dbraw/zinc/63/13/29/1315631329.db2.gz HSQXUEOPIHZLEW-UHFFFAOYSA-N 0 3 329.238 2.347 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccccc3)C1)[C@H](O)CO2 ZINC000842616597 1315733195 /nfs/dbraw/zinc/73/31/95/1315733195.db2.gz HBELKVIMPCVNGR-MAUKXSAKSA-N 0 3 327.380 2.471 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccccc3)C1)[C@H](O)CO2 ZINC000842616597 1315733196 /nfs/dbraw/zinc/73/31/96/1315733196.db2.gz HBELKVIMPCVNGR-MAUKXSAKSA-N 0 3 327.380 2.471 20 10 EECDHN CN1CCN(CCc2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256935811 1318903272 /nfs/dbraw/zinc/90/32/72/1318903272.db2.gz TWSDWCSBWUBONZ-UHFFFAOYSA-N 0 3 337.427 2.317 20 10 EECDHN CC(C)CN1CCN(C)C2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001203551774 1321910449 /nfs/dbraw/zinc/91/04/49/1321910449.db2.gz NHVUQTGEUNWWMR-UHFFFAOYSA-N 0 3 345.487 2.157 20 10 EECDHN COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203635436 1321929369 /nfs/dbraw/zinc/92/93/69/1321929369.db2.gz UZTMAEDZFFOXHP-INIZCTEOSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)c1 ZINC001203635436 1321929370 /nfs/dbraw/zinc/92/93/70/1321929370.db2.gz UZTMAEDZFFOXHP-INIZCTEOSA-N 0 3 330.384 2.458 20 10 EECDHN O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274348 1322100541 /nfs/dbraw/zinc/10/05/41/1322100541.db2.gz ONBFCCRPGCMJDG-INIZCTEOSA-N 0 3 330.428 2.369 20 10 EECDHN O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204274612 1322100581 /nfs/dbraw/zinc/10/05/81/1322100581.db2.gz QNSPANFTOJFVTO-HUUCEWRRSA-N 0 3 344.436 2.363 20 10 EECDHN COCCN1CCC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)C1=O ZINC001140950376 1372725754 /nfs/dbraw/zinc/72/57/54/1372725754.db2.gz RLGBLJXTMNYYQP-UHFFFAOYSA-N 0 3 332.444 2.162 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccnn1CCN(C)C ZINC000836699178 1372742123 /nfs/dbraw/zinc/74/21/23/1372742123.db2.gz FJSLHDSGFPGPLZ-UHFFFAOYSA-N 0 3 344.463 2.141 20 10 EECDHN CN(C)[C@@H](C(=O)NCCC1=CCN(c2cccc(F)n2)CC1)C1CC1 ZINC001089844521 777844050 /nfs/dbraw/zinc/84/40/50/777844050.db2.gz DLRCLDRDMAAKBP-GOSISDBHSA-N 0 3 346.450 2.204 20 10 EECDHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000819843436 785688909 /nfs/dbraw/zinc/68/89/09/785688909.db2.gz LJOSDKNBHRQALZ-HNNXBMFYSA-N 0 3 347.484 2.342 20 10 EECDHN CCN1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])CC1=O ZINC000824886578 788352942 /nfs/dbraw/zinc/35/29/42/788352942.db2.gz DEQYZOUGIXXTCY-GFCCVEGCSA-N 0 3 327.222 2.174 20 10 EECDHN O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001169749491 804010195 /nfs/dbraw/zinc/01/01/95/804010195.db2.gz ZEOZHPKHRJPRNJ-MRXNPFEDSA-N 0 3 326.396 2.492 20 10 EECDHN C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790582235 808816161 /nfs/dbraw/zinc/81/61/61/808816161.db2.gz FHYKDLFTUHQLFU-UHFFFAOYSA-N 0 3 343.383 2.240 20 10 EECDHN CN(C)c1ccc(CNC(=O)N(C)CC2CCN(C)CC2)cc1F ZINC000103612578 529781299 /nfs/dbraw/zinc/78/12/99/529781299.db2.gz XOBKQOLYLIEMKY-UHFFFAOYSA-N 0 3 336.455 2.375 20 10 EECDHN CCS(=O)(=O)C[C@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000089636383 462700992 /nfs/dbraw/zinc/70/09/92/462700992.db2.gz PAMGIVRXUTVLCG-AWEZNQCLSA-N 0 3 340.489 2.077 20 10 EECDHN C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)N(C)C1CC1 ZINC000154732295 462802836 /nfs/dbraw/zinc/80/28/36/462802836.db2.gz ZSEHLYRTKNAWMV-OAHLLOKOSA-N 0 3 328.460 2.345 20 10 EECDHN CCOc1ccc(O)c(CN2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000093454997 463038473 /nfs/dbraw/zinc/03/84/73/463038473.db2.gz RFHCPNGNHWMZAM-SFHVURJKSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000093454997 463038480 /nfs/dbraw/zinc/03/84/80/463038480.db2.gz RFHCPNGNHWMZAM-SFHVURJKSA-N 0 3 345.443 2.470 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279808292 464151661 /nfs/dbraw/zinc/15/16/61/464151661.db2.gz XAJCRFCDJSZOJG-IBGZPJMESA-N 0 3 343.471 2.108 20 10 EECDHN COCC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000281211395 464372380 /nfs/dbraw/zinc/37/23/80/464372380.db2.gz JUAFXXMIQAZXPM-KRWDZBQOSA-N 0 3 331.412 2.458 20 10 EECDHN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000292899699 464375460 /nfs/dbraw/zinc/37/54/60/464375460.db2.gz ZWMCUQBZJBCWTM-WBVHZDCISA-N 0 3 337.391 2.321 20 10 EECDHN CCCN(Cc1ccccc1O)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000174375103 464401262 /nfs/dbraw/zinc/40/12/62/464401262.db2.gz NJLMKOOTJRNAKH-MRXNPFEDSA-N 0 3 328.416 2.143 20 10 EECDHN Cc1nc2sccn2c(=O)c1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000285516589 464592718 /nfs/dbraw/zinc/59/27/18/464592718.db2.gz GDSLVDOVSUTYBZ-UHFFFAOYSA-N 0 3 329.425 2.445 20 10 EECDHN Cc1nc2sccn2c(=O)c1CC[N@H+](C)Cc1ccccc1[O-] ZINC000285516589 464592723 /nfs/dbraw/zinc/59/27/23/464592723.db2.gz GDSLVDOVSUTYBZ-UHFFFAOYSA-N 0 3 329.425 2.445 20 10 EECDHN COC(=O)CC1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCOCC1 ZINC000273813674 464725842 /nfs/dbraw/zinc/72/58/42/464725842.db2.gz ZGEWXTRLTOPLKJ-UHFFFAOYSA-N 0 3 343.807 2.256 20 10 EECDHN CN(C)C[C@H]1CN(C(=O)Cc2ccc(N)cc2)c2ccccc2O1 ZINC000361709973 466226225 /nfs/dbraw/zinc/22/62/25/466226225.db2.gz AXPIVAIBFWDHHB-INIZCTEOSA-N 0 3 325.412 2.167 20 10 EECDHN COc1c([O-])c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910095 577422892 /nfs/dbraw/zinc/42/28/92/577422892.db2.gz QCJOFYUCSCRQIP-AWEZNQCLSA-N 0 3 349.431 2.473 20 10 EECDHN COc1c([O-])c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910095 577422893 /nfs/dbraw/zinc/42/28/93/577422893.db2.gz QCJOFYUCSCRQIP-AWEZNQCLSA-N 0 3 349.431 2.473 20 10 EECDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1 ZINC000775370008 577436058 /nfs/dbraw/zinc/43/60/58/577436058.db2.gz JZEZFUYMKIEHPE-GHMZBOCLSA-N 0 3 337.420 2.064 20 10 EECDHN COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000776799992 577468359 /nfs/dbraw/zinc/46/83/59/577468359.db2.gz JELYTDCDEFXKKZ-LLVKDONJSA-N 0 3 336.388 2.077 20 10 EECDHN CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000766033378 577511514 /nfs/dbraw/zinc/51/15/14/577511514.db2.gz YPUUGZAIZXKPNK-DYVFJYSZSA-N 0 3 349.427 2.372 20 10 EECDHN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000766033378 577511515 /nfs/dbraw/zinc/51/15/15/577511515.db2.gz YPUUGZAIZXKPNK-DYVFJYSZSA-N 0 3 349.427 2.372 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C)C(C)(C)C1)cc2=O ZINC000759920506 577654006 /nfs/dbraw/zinc/65/40/06/577654006.db2.gz FKTBWCGZWRJNOG-GFCCVEGCSA-N 0 3 346.431 2.480 20 10 EECDHN Cc1ccc(C)n1-c1ccsc1C(=O)NCCOCCN(C)C ZINC000753431273 577787370 /nfs/dbraw/zinc/78/73/70/577787370.db2.gz DAJPETRQIKZGMC-UHFFFAOYSA-N 0 3 335.473 2.464 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c([O-])c1C ZINC000756395871 577843300 /nfs/dbraw/zinc/84/33/00/577843300.db2.gz ZYADSOMKSXPRQZ-ZDUSSCGKSA-N 0 3 326.462 2.084 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756484400 577844936 /nfs/dbraw/zinc/84/49/36/577844936.db2.gz WPSQXTOVJGAELW-PWSUYJOCSA-N 0 3 344.452 2.387 20 10 EECDHN CC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)N1CCOCC1 ZINC000756649506 577847974 /nfs/dbraw/zinc/84/79/74/577847974.db2.gz PNGHSXBKIYIIEW-XBFCOCLRSA-N 0 3 336.407 2.307 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756771561 577850054 /nfs/dbraw/zinc/85/00/54/577850054.db2.gz ZEBKXCVDKVZCJK-NQBHXWOUSA-N 0 3 342.436 2.093 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)n2)N(C)C)cc1 ZINC000891254593 676250337 /nfs/dbraw/zinc/25/03/37/676250337.db2.gz ZMNQRMRJYOVODW-MRXNPFEDSA-N 0 3 330.407 2.319 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cccnc2)N(C)C)cc1 ZINC000891426718 676580637 /nfs/dbraw/zinc/58/06/37/676580637.db2.gz MQXRJSJRMNPUAC-GOSISDBHSA-N 0 3 341.459 2.250 20 10 EECDHN CCOCCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891464123 676667000 /nfs/dbraw/zinc/66/70/00/676667000.db2.gz AMJVZYDIGMWFFT-KRWDZBQOSA-N 0 3 336.480 2.081 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@H]2CCOC2)N(C)C)cc1 ZINC000894154543 681794025 /nfs/dbraw/zinc/79/40/25/681794025.db2.gz NNMJJBSBYKJBSZ-CRAIPNDOSA-N 0 3 348.491 2.081 20 10 EECDHN COCC[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892604258 681938493 /nfs/dbraw/zinc/93/84/93/681938493.db2.gz QGOGPECINKDKLT-WMLDXEAASA-N 0 3 336.480 2.080 20 10 EECDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000893135161 683832634 /nfs/dbraw/zinc/83/26/34/683832634.db2.gz LWQGXNHYNYPHHF-RTBURBONSA-N 0 3 340.471 2.441 20 10 EECDHN C[C@@H]1[C@H](C)OCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101327 693605639 /nfs/dbraw/zinc/60/56/39/693605639.db2.gz IWZBSYPZZYQNPS-VKJFTORMSA-N 0 3 348.491 2.174 20 10 EECDHN CCOCCN1CC[C@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272622341 1190935667 /nfs/dbraw/zinc/93/56/67/1190935667.db2.gz FCMLTHBWOCMXQF-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN COC[C@@](C)(CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000877667912 1200017853 /nfs/dbraw/zinc/01/78/53/1200017853.db2.gz CQIKOKABFWGBIH-LJQANCHMSA-N 0 3 331.412 2.458 20 10 EECDHN CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648989 1201193269 /nfs/dbraw/zinc/19/32/69/1201193269.db2.gz IPUKZOWTIPQADH-CJNGLKHVSA-N 0 3 344.411 2.441 20 10 EECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c1[O-] ZINC001274399004 1205022959 /nfs/dbraw/zinc/02/29/59/1205022959.db2.gz JPQMXDANNWGNPA-KRWDZBQOSA-N 0 3 336.819 2.325 20 10 EECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c1[O-] ZINC001274399004 1205022962 /nfs/dbraw/zinc/02/29/62/1205022962.db2.gz JPQMXDANNWGNPA-KRWDZBQOSA-N 0 3 336.819 2.325 20 10 EECDHN COc1ccc(O)c(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c1 ZINC001275279225 1205297221 /nfs/dbraw/zinc/29/72/21/1205297221.db2.gz UMSQCLSYLJHDKR-HDICACEKSA-N 0 3 332.444 2.228 20 10 EECDHN [O-]c1cccc(F)c1C[NH+]1CCC2(CN(Cc3cn[nH]c3)C2)CC1 ZINC001276354230 1213898364 /nfs/dbraw/zinc/89/83/64/1213898364.db2.gz NDCOOWDHDMWLQV-UHFFFAOYSA-N 0 3 330.407 2.352 20 10 EECDHN CC[C@@H](C)NC(=O)[C@@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001273842260 1286682538 /nfs/dbraw/zinc/68/25/38/1286682538.db2.gz BRIBGKHCTGKEGE-OCCSQVGLSA-N 0 3 348.443 2.320 20 10 EECDHN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(O)c(O)cc1O ZINC001273842959 1286695980 /nfs/dbraw/zinc/69/59/80/1286695980.db2.gz LWOOVQWPWORJFT-MRVWCRGKSA-N 0 3 334.416 2.167 20 10 EECDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210987 1293445269 /nfs/dbraw/zinc/44/52/69/1293445269.db2.gz VBKYAOGKXKYINQ-IBGZPJMESA-N 0 3 345.487 2.138 20 10 EECDHN CN(C)c1cc(F)c(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000858143479 1294021158 /nfs/dbraw/zinc/02/11/58/1294021158.db2.gz ZKJGCQJXXYRTRN-OLZOCXBDSA-N 0 3 346.443 2.476 20 10 EECDHN O=C([C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2)N1CC=CC1 ZINC001277196550 1301766932 /nfs/dbraw/zinc/76/69/32/1301766932.db2.gz KCWWUMAHAVSYMG-MRXNPFEDSA-N 0 3 328.412 2.098 20 10 EECDHN C[C@H]1CN(C(=O)C23CC([NH2+]Cc4ccccc4[O-])(C2)C3)C[C@H](C)O1 ZINC001277441845 1303031445 /nfs/dbraw/zinc/03/14/45/1303031445.db2.gz QGDGJWSTYNSVBJ-IHWOHKJGSA-N 0 3 330.428 2.040 20 10 EECDHN CCN1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)[C@H](C)C1 ZINC001232410789 1304112631 /nfs/dbraw/zinc/11/26/31/1304112631.db2.gz SGSYJFDTAJXFJS-CQSZACIVSA-N 0 3 329.444 2.491 20 10 EECDHN CN(C)c1ccc(CN2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001232838175 1304265966 /nfs/dbraw/zinc/26/59/66/1304265966.db2.gz BBRNLPXMILJLKJ-UHFFFAOYSA-N 0 3 340.471 2.214 20 10 EECDHN Oc1c(CN2CCN([C@@H]3CCOC3)CC2)cccc1C(F)(F)F ZINC001233416132 1304461316 /nfs/dbraw/zinc/46/13/16/1304461316.db2.gz WZIPLMAZHFUZLD-CYBMUJFWSA-N 0 3 330.350 2.318 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(O)c(O)cc1O ZINC001233485323 1304478269 /nfs/dbraw/zinc/47/82/69/1304478269.db2.gz QYCQCHGNONQRKE-UHFFFAOYSA-N 0 3 344.411 2.272 20 10 EECDHN Cc1cccc(N2CCCN(Cc3cc(O)c(O)cc3O)CC2)n1 ZINC001233486408 1304478713 /nfs/dbraw/zinc/47/87/13/1304478713.db2.gz MAOMQQVFCIVKQP-UHFFFAOYSA-N 0 3 329.400 2.219 20 10 EECDHN CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1cc(Cl)c(C)cc1[O-] ZINC001235331416 1305193173 /nfs/dbraw/zinc/19/31/73/1305193173.db2.gz ZZQMMCYVJSCQNC-TUKIKUTGSA-N 0 3 338.835 2.079 20 10 EECDHN CN1CCN(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1(C)C ZINC000799736391 1305397557 /nfs/dbraw/zinc/39/75/57/1305397557.db2.gz PZGMMIGMMCJUGW-UHFFFAOYSA-N 0 3 329.847 2.300 20 10 EECDHN [NH3+]CCN1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001236098923 1305500570 /nfs/dbraw/zinc/50/05/70/1305500570.db2.gz UZFXGUNWCVUUKI-HNNXBMFYSA-N 0 3 348.830 2.406 20 10 EECDHN COCCN(Cc1cc(Br)ccc1[O-])[C@H]1CCC[NH2+]C1 ZINC001236328859 1305562040 /nfs/dbraw/zinc/56/20/40/1305562040.db2.gz QFCFTANZYNSGCM-AWEZNQCLSA-N 0 3 343.265 2.355 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(OC)cn3)C2)c([O-])c1 ZINC001237046932 1305776788 /nfs/dbraw/zinc/77/67/88/1305776788.db2.gz IFZZSBMQBUFNMJ-HNNXBMFYSA-N 0 3 345.399 2.243 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ncc(OC)cn3)C2)c([O-])c1 ZINC001237046932 1305776798 /nfs/dbraw/zinc/77/67/98/1305776798.db2.gz IFZZSBMQBUFNMJ-HNNXBMFYSA-N 0 3 345.399 2.243 20 10 EECDHN CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c([O-])cc(OC)cc1Br ZINC001237068364 1305786171 /nfs/dbraw/zinc/78/61/71/1305786171.db2.gz PBXJFFGRLGGUOH-QWRGUYRKSA-N 0 3 341.249 2.442 20 10 EECDHN CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1c([O-])cc(OC)cc1Br ZINC001237068364 1305786178 /nfs/dbraw/zinc/78/61/78/1305786178.db2.gz PBXJFFGRLGGUOH-QWRGUYRKSA-N 0 3 341.249 2.442 20 10 EECDHN Cc1cccc(O)c1CN1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001237485085 1305955015 /nfs/dbraw/zinc/95/50/15/1305955015.db2.gz DCNVICLBENTVLQ-IBGZPJMESA-N 0 3 345.443 2.288 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC001237678396 1306042726 /nfs/dbraw/zinc/04/27/26/1306042726.db2.gz YJTVXLSWJYVDSQ-SNVBAGLBSA-N 0 3 327.222 2.160 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC001237678396 1306042738 /nfs/dbraw/zinc/04/27/38/1306042738.db2.gz YJTVXLSWJYVDSQ-SNVBAGLBSA-N 0 3 327.222 2.160 20 10 EECDHN CCNC(=O)CO[C@H]1CCCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC001237686030 1306047798 /nfs/dbraw/zinc/04/77/98/1306047798.db2.gz FUOBECHXGGUEDB-HNNXBMFYSA-N 0 3 340.851 2.471 20 10 EECDHN O=c1[nH]ccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138499646 1314622558 /nfs/dbraw/zinc/62/25/58/1314622558.db2.gz XJFSBKIKAHWZLS-UHFFFAOYSA-N 0 3 325.412 2.182 20 10 EECDHN NC(=O)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834578445 1314850169 /nfs/dbraw/zinc/85/01/69/1314850169.db2.gz PUJPABXYJVOEAR-GOEBONIOSA-N 0 3 337.423 2.347 20 10 EECDHN CCN1CCN(c2ccc(CN3CCn4cncc4C3)cc2)CC1 ZINC001140305966 1314863581 /nfs/dbraw/zinc/86/35/81/1314863581.db2.gz JBHINSCCCSXCMB-UHFFFAOYSA-N 0 3 325.460 2.041 20 10 EECDHN COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834789633 1314877148 /nfs/dbraw/zinc/87/71/48/1314877148.db2.gz GZMDKCMEHRKHBT-MRXNPFEDSA-N 0 3 340.423 2.337 20 10 EECDHN Cc1cnc(O[C@H]2CCN(Cc3ccc4c(c3)OCCN4C)C2)nc1 ZINC001141146298 1315049826 /nfs/dbraw/zinc/04/98/26/1315049826.db2.gz RHAPVYZVIPGBPG-INIZCTEOSA-N 0 3 340.427 2.267 20 10 EECDHN COCCNC(=O)C1(N[C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000840823361 1315417883 /nfs/dbraw/zinc/41/78/83/1315417883.db2.gz XCAXWJCEVQKFBV-CYBMUJFWSA-N 0 3 332.444 2.217 20 10 EECDHN CCOc1ccc(N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC001253864690 1317953685 /nfs/dbraw/zinc/95/36/85/1317953685.db2.gz XXQXCUIGUKGWKZ-GOSISDBHSA-N 0 3 333.476 2.320 20 10 EECDHN COc1cccc(CN2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1O ZINC001203589479 1321918168 /nfs/dbraw/zinc/91/81/68/1321918168.db2.gz JDSSSVVBEUTXLY-UGSOOPFHSA-N 0 3 334.416 2.500 20 10 EECDHN COc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c([O-])c1 ZINC001203621367 1321924487 /nfs/dbraw/zinc/92/44/87/1321924487.db2.gz BWDFBNDUDKLLAF-HDICACEKSA-N 0 3 339.439 2.360 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c([O-])c1 ZINC001203621367 1321924489 /nfs/dbraw/zinc/92/44/89/1321924489.db2.gz BWDFBNDUDKLLAF-HDICACEKSA-N 0 3 339.439 2.360 20 10 EECDHN COc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c([O-])c1 ZINC001203623583 1321925519 /nfs/dbraw/zinc/92/55/19/1321925519.db2.gz ULOIDBDWYJPLNQ-IAGOWNOFSA-N 0 3 339.439 2.360 20 10 EECDHN Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2ccc(O)cc2[O-])CC3)cn1 ZINC001204273291 1322098498 /nfs/dbraw/zinc/09/84/98/1322098498.db2.gz MYQIWAUXXYXYEO-HNNXBMFYSA-N 0 3 343.427 2.370 20 10 EECDHN CN1CCN(c2ccc(CN3CCN(C4CCC4)CC3)cc2F)CC1 ZINC001320497762 1332897029 /nfs/dbraw/zinc/89/70/29/1332897029.db2.gz MLFONOSSGYGEEB-UHFFFAOYSA-N 0 3 346.494 2.248 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc(C3CC3)[nH]2)N(C)C)cc1 ZINC001333624724 1336091049 /nfs/dbraw/zinc/09/10/49/1336091049.db2.gz HVEFKFLVOBQONZ-QGZVFWFLSA-N 0 3 341.459 2.386 20 10 EECDHN COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC001120009425 1371798176 /nfs/dbraw/zinc/79/81/76/1371798176.db2.gz VUSJIIAZLLSFJV-KRWDZBQOSA-N 0 3 342.443 2.189 20 10 EECDHN C[S@@](=O)C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000154718056 769077813 /nfs/dbraw/zinc/07/78/13/769077813.db2.gz JZWPUTMZNXTHAL-FATZIPQQSA-N 0 3 333.409 2.330 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)c([O-])c1 ZINC000840781885 782982076 /nfs/dbraw/zinc/98/20/76/782982076.db2.gz YSONSIRJOAYGES-INIZCTEOSA-N 0 3 334.460 2.233 20 10 EECDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)N(C)C ZINC000106459190 776306650 /nfs/dbraw/zinc/30/66/50/776306650.db2.gz HJDPJYBPOUDKNR-KRWDZBQOSA-N 0 3 335.517 2.442 20 10 EECDHN CC(C)N(C)CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089834568 777424329 /nfs/dbraw/zinc/42/43/29/777424329.db2.gz DMNPQHDPQGTXGD-UHFFFAOYSA-N 0 3 334.439 2.204 20 10 EECDHN C[C@@]1([NH3+])CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001204946947 781021266 /nfs/dbraw/zinc/02/12/66/781021266.db2.gz VBOYJRRKGRGYDM-CYBMUJFWSA-N 0 3 346.212 2.310 20 10 EECDHN CC[C@@H]([NH2+]CCNCCOC)c1cc(Br)ccc1[O-] ZINC000817965360 785119496 /nfs/dbraw/zinc/11/94/96/785119496.db2.gz STKSTHQPWAIGJM-CYBMUJFWSA-N 0 3 331.254 2.431 20 10 EECDHN CC[C@H]([NH2+]CCNCCOC)c1cc(Br)ccc1[O-] ZINC000817965363 785119841 /nfs/dbraw/zinc/11/98/41/785119841.db2.gz STKSTHQPWAIGJM-ZDUSSCGKSA-N 0 3 331.254 2.431 20 10 EECDHN COc1ccc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c(OC)c1 ZINC001169042498 803583942 /nfs/dbraw/zinc/58/39/42/803583942.db2.gz FBUKXXIYOBFCTK-LSDHHAIUSA-N 0 3 349.431 2.271 20 10 EECDHN CCOc1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c([O-])c1 ZINC000793181481 810177254 /nfs/dbraw/zinc/17/72/54/810177254.db2.gz FDUDNZQZBKZJBQ-KRWDZBQOSA-N 0 3 331.416 2.460 20 10 EECDHN COc1ccc(C[NH2+]Cc2cccc(C)c2O)cc1-c1nnn[n-]1 ZINC000826203001 947602736 /nfs/dbraw/zinc/60/27/36/947602736.db2.gz VZRVWFQQLFGJOX-UHFFFAOYSA-N 0 3 325.372 2.179 20 10 EECDHN COc1ccc(C[NH2+]Cc2cccc(C)c2O)cc1-c1nn[n-]n1 ZINC000826203001 947602741 /nfs/dbraw/zinc/60/27/41/947602741.db2.gz VZRVWFQQLFGJOX-UHFFFAOYSA-N 0 3 325.372 2.179 20 10 EECDHN CCN(CC)c1ccc(C[NH2+]C2CCN(CC(=O)[O-])CC2)cc1F ZINC000874049732 956114752 /nfs/dbraw/zinc/11/47/52/956114752.db2.gz KUPSBOXKZWIJCZ-UHFFFAOYSA-N 0 3 337.439 2.311 20 10 EECDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)N(C)C ZINC000126257742 463620437 /nfs/dbraw/zinc/62/04/37/463620437.db2.gz RSPJTDQPASKRKA-LJQANCHMSA-N 0 3 347.503 2.098 20 10 EECDHN COc1ccc(C(=O)NCC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296242202 465127486 /nfs/dbraw/zinc/12/74/86/465127486.db2.gz AVUKCDMKGDICGV-INIZCTEOSA-N 0 3 326.396 2.408 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](C)CC1)cc2=O ZINC000063302468 462639689 /nfs/dbraw/zinc/63/96/89/462639689.db2.gz UPVKTLDKMVXZBY-LBPRGKRZSA-N 0 3 332.404 2.234 20 10 EECDHN CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1[O-] ZINC000155560165 462909258 /nfs/dbraw/zinc/90/92/58/462909258.db2.gz FDKVKUWCHFKAJG-IAGOWNOFSA-N 0 3 333.476 2.376 20 10 EECDHN CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1[O-] ZINC000119692954 462924104 /nfs/dbraw/zinc/92/41/04/462924104.db2.gz GSYNSCKMKLRZDG-MRXNPFEDSA-N 0 3 334.441 2.323 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(C)C3CCCC3)CC2)cc1 ZINC000053814271 463192053 /nfs/dbraw/zinc/19/20/53/463192053.db2.gz GQRBZHFDMNNILT-UHFFFAOYSA-N 0 3 331.460 2.218 20 10 EECDHN CNC(=O)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000158023253 463197246 /nfs/dbraw/zinc/19/72/46/463197246.db2.gz OWANLQQJWDTJBK-UHFFFAOYSA-N 0 3 341.249 2.421 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000186595598 464030329 /nfs/dbraw/zinc/03/03/29/464030329.db2.gz XKQVGQOYNSGZBG-ZDUSSCGKSA-N 0 3 341.883 2.170 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187702138 464152631 /nfs/dbraw/zinc/15/26/31/464152631.db2.gz NGDZQVPIVGKOBN-CYBMUJFWSA-N 0 3 327.419 2.349 20 10 EECDHN Cc1cccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000179745953 464180965 /nfs/dbraw/zinc/18/09/65/464180965.db2.gz WOJGKBJLUOSHIF-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1[O-] ZINC000179745953 464180974 /nfs/dbraw/zinc/18/09/74/464180974.db2.gz WOJGKBJLUOSHIF-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN COc1ccc(O)c(CN(C)C[C@@H](O)COCc2ccccc2)c1 ZINC000179846166 464197823 /nfs/dbraw/zinc/19/78/23/464197823.db2.gz QPGBTIZYEQADTD-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN COc1ccc([O-])c(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000179846166 464197829 /nfs/dbraw/zinc/19/78/29/464197829.db2.gz QPGBTIZYEQADTD-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN COc1ccc([O-])c(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000179846166 464197836 /nfs/dbraw/zinc/19/78/36/464197836.db2.gz QPGBTIZYEQADTD-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc2c(cc1[O-])CCCC2 ZINC000273360955 464711805 /nfs/dbraw/zinc/71/18/05/464711805.db2.gz AGLQDWKCABIICZ-KBXCAEBGSA-N 0 3 345.487 2.261 20 10 EECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000273487858 464718390 /nfs/dbraw/zinc/71/83/90/464718390.db2.gz NNTDLKIQJFDRHZ-ZIAGYGMSSA-N 0 3 330.432 2.413 20 10 EECDHN C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000183452332 464866355 /nfs/dbraw/zinc/86/63/55/464866355.db2.gz OEKHIYYTCKWQTA-CQSZACIVSA-N 0 3 334.441 2.162 20 10 EECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](N)Cc1ccccc1 ZINC000649347715 470555342 /nfs/dbraw/zinc/55/53/42/470555342.db2.gz TUUDZXWNBKSZSR-INIZCTEOSA-N 0 3 339.439 2.438 20 10 EECDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCOCC1 ZINC000731847844 577127591 /nfs/dbraw/zinc/12/75/91/577127591.db2.gz PNRXEVRIUXQBLL-UHFFFAOYSA-N 0 3 332.444 2.386 20 10 EECDHN O=C(CC[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCOCC1 ZINC000731847844 577127593 /nfs/dbraw/zinc/12/75/93/577127593.db2.gz PNRXEVRIUXQBLL-UHFFFAOYSA-N 0 3 332.444 2.386 20 10 EECDHN CN1CCN(c2ccc(CNC[C@](C)(O)c3ccco3)cc2)CC1 ZINC000771843048 577233821 /nfs/dbraw/zinc/23/38/21/577233821.db2.gz PVPJLTRTSOEXKH-IBGZPJMESA-N 0 3 329.444 2.029 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C[C@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000773252927 577327384 /nfs/dbraw/zinc/32/73/84/577327384.db2.gz BMUDUCXQZKSPST-LBTNJELSSA-N 0 3 333.428 2.457 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C[C@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000773252927 577327385 /nfs/dbraw/zinc/32/73/85/577327385.db2.gz BMUDUCXQZKSPST-LBTNJELSSA-N 0 3 333.428 2.457 20 10 EECDHN COCCN(C)CCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773363526 577336653 /nfs/dbraw/zinc/33/66/53/577336653.db2.gz NPTVBBLVHZCMPU-OAHLLOKOSA-N 0 3 336.480 2.081 20 10 EECDHN CN1CCN(c2ccc(CN3CCCC[C@H]3C3OCCO3)cc2)CC1 ZINC000775675045 577442422 /nfs/dbraw/zinc/44/24/22/577442422.db2.gz QIOHAHXCGAOOEK-IBGZPJMESA-N 0 3 345.487 2.166 20 10 EECDHN COc1cccc([O-])c1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000769205841 577572290 /nfs/dbraw/zinc/57/22/90/577572290.db2.gz IXWAFTJXYRKUGL-UHFFFAOYSA-N 0 3 334.460 2.335 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(C1)OCc1ccccc13)[C@H](O)CO2 ZINC000769778051 577584121 /nfs/dbraw/zinc/58/41/21/577584121.db2.gz QENQCIZFQJZVNX-UYAOXDASSA-N 0 3 339.391 2.449 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(C1)OCc1ccccc13)[C@H](O)CO2 ZINC000769778051 577584122 /nfs/dbraw/zinc/58/41/22/577584122.db2.gz QENQCIZFQJZVNX-UYAOXDASSA-N 0 3 339.391 2.449 20 10 EECDHN COc1cccc([O-])c1C[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000742375649 577871970 /nfs/dbraw/zinc/87/19/70/577871970.db2.gz UIGLXOIJEZBGNV-UHFFFAOYSA-N 0 3 342.395 2.306 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2nnc(C3CC3)o2)N(C)C)cc1 ZINC000891246187 676239548 /nfs/dbraw/zinc/23/95/48/676239548.db2.gz NDDJUWSQGXNFLI-HNNXBMFYSA-N 0 3 343.431 2.046 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cscn2)N(C)C)cc1 ZINC000891246941 676242218 /nfs/dbraw/zinc/24/22/18/676242218.db2.gz QYYBGHZZJBRKBP-MRXNPFEDSA-N 0 3 332.473 2.171 20 10 EECDHN C[C@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)n1cccn1 ZINC000891250629 676245401 /nfs/dbraw/zinc/24/54/01/676245401.db2.gz YRXUAQRXLBCDOW-QAPCUYQASA-N 0 3 343.475 2.319 20 10 EECDHN CCc1nnsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251587 676248184 /nfs/dbraw/zinc/24/81/84/676248184.db2.gz BXRNROBNRLGADD-HNNXBMFYSA-N 0 3 347.488 2.199 20 10 EECDHN CC[C@@H](COC)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893114022 683795200 /nfs/dbraw/zinc/79/52/00/683795200.db2.gz SXFGTHKYJJJJRI-DOTOQJQBSA-N 0 3 336.480 2.080 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=S)NCC(F)(F)F)N(C)C)cc1 ZINC000899724631 693846985 /nfs/dbraw/zinc/84/69/85/693846985.db2.gz NWBJJLPQYOZWMW-CYBMUJFWSA-N 0 3 348.438 2.382 20 10 EECDHN CCN(CC)c1ccc(CN2CCN(Cc3n[nH]c(C)n3)CC2)cc1 ZINC000895266705 684411950 /nfs/dbraw/zinc/41/19/50/684411950.db2.gz MKYZDPFSBABRFI-UHFFFAOYSA-N 0 3 342.491 2.277 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC(F)(F)C2)N(C)C)cc1 ZINC000899103664 693607194 /nfs/dbraw/zinc/60/71/94/693607194.db2.gz ODWVWZLYUPMDNN-HNNXBMFYSA-N 0 3 340.418 2.406 20 10 EECDHN Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C2COC2)C3)c([O-])c1 ZINC001272766954 1193488580 /nfs/dbraw/zinc/48/85/80/1193488580.db2.gz VOJYLNAELYWCDJ-LJQANCHMSA-N 0 3 330.428 2.056 20 10 EECDHN Cc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(C2COC2)C3)c([O-])c1 ZINC001272766954 1193488583 /nfs/dbraw/zinc/48/85/83/1193488583.db2.gz VOJYLNAELYWCDJ-LJQANCHMSA-N 0 3 330.428 2.056 20 10 EECDHN C[C@H]1NCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H]1C ZINC000841710548 1187439533 /nfs/dbraw/zinc/43/95/33/1187439533.db2.gz YRDSELAMBTVGAM-CABCVRRESA-N 0 3 348.516 2.132 20 10 EECDHN Oc1cc(F)c(F)cc1CN1CCN(CCc2ccccn2)CC1 ZINC001142520290 1188215271 /nfs/dbraw/zinc/21/52/71/1188215271.db2.gz FIIAJVVQIIACPK-UHFFFAOYSA-N 0 3 333.382 2.426 20 10 EECDHN CC[C@@H](C)N1C[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2)OCC1=O ZINC001272916795 1193602860 /nfs/dbraw/zinc/60/28/60/1193602860.db2.gz MMTPNFUBQGXTMX-OXQOHEQNSA-N 0 3 345.487 2.354 20 10 EECDHN CCOCCN1CC[C@@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272622340 1190935768 /nfs/dbraw/zinc/93/57/68/1190935768.db2.gz FCMLTHBWOCMXQF-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN COCCCN1CC[C@@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272638307 1190945718 /nfs/dbraw/zinc/94/57/18/1190945718.db2.gz ROJISXLWBLFJMQ-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN Cc1ccc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000877655778 1200010430 /nfs/dbraw/zinc/01/04/30/1200010430.db2.gz KSLHFCFLGCCBKE-HNNXBMFYSA-N 0 3 336.432 2.426 20 10 EECDHN COc1ccccc1COC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000121146922 1201560036 /nfs/dbraw/zinc/56/00/36/1201560036.db2.gz NKIUPUZTUDTFSI-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN COc1ccccc1COC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000121146922 1201560041 /nfs/dbraw/zinc/56/00/41/1201560041.db2.gz NKIUPUZTUDTFSI-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN CO[C@@H](CN)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000884305545 1202288707 /nfs/dbraw/zinc/28/87/07/1202288707.db2.gz ZLGCCYBRDZBWRX-KSSFIOAISA-N 0 3 328.412 2.456 20 10 EECDHN COc1ccc(N2CCC3(CCN(CCN(C)C)C3=O)CC2)cc1F ZINC001274865823 1205195247 /nfs/dbraw/zinc/19/52/47/1205195247.db2.gz LNRPXXNFRQWWTH-UHFFFAOYSA-N 0 3 349.450 2.215 20 10 EECDHN O=c1cccc(CN2C[C@@H]3CC[N@@H+](Cc4cc(F)ccc4[O-])[C@@H]3C2)[nH]1 ZINC001275909408 1205581220 /nfs/dbraw/zinc/58/12/20/1205581220.db2.gz XYDJHZMEFATNKH-SUMWQHHRSA-N 0 3 343.402 2.338 20 10 EECDHN O=c1cccc(CN2C[C@@H]3CC[N@H+](Cc4cc(F)ccc4[O-])[C@@H]3C2)[nH]1 ZINC001275909408 1205581221 /nfs/dbraw/zinc/58/12/21/1205581221.db2.gz XYDJHZMEFATNKH-SUMWQHHRSA-N 0 3 343.402 2.338 20 10 EECDHN Cc1cc(CN2C(=O)N[C@H](CN(C)C)C2=O)c(C)n1-c1ccccc1 ZINC000925033383 1206062955 /nfs/dbraw/zinc/06/29/55/1206062955.db2.gz YKXQTSDGYZITTC-QGZVFWFLSA-N 0 3 340.427 2.076 20 10 EECDHN Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000930502526 1206562993 /nfs/dbraw/zinc/56/29/93/1206562993.db2.gz LKSNLZNMUBQQAL-MRXNPFEDSA-N 0 3 344.463 2.219 20 10 EECDHN CCOc1ccc(N2CCN(Cc3cccc(CC)c3O)CC2)nn1 ZINC000827800635 1248774502 /nfs/dbraw/zinc/77/45/02/1248774502.db2.gz XYGLXMWNLVZIRA-UHFFFAOYSA-N 0 3 342.443 2.466 20 10 EECDHN C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cc(CO)on1 ZINC000903448985 1240497573 /nfs/dbraw/zinc/49/75/73/1240497573.db2.gz UYHMZTQOAYGTKU-SCLBCKFNSA-N 0 3 332.448 2.186 20 10 EECDHN CNCc1cccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)c1F ZINC001216223321 1297112458 /nfs/dbraw/zinc/11/24/58/1297112458.db2.gz PSNAKUUDVDANJS-UHFFFAOYSA-N 0 3 337.420 2.094 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)cccc21 ZINC001218326418 1297633160 /nfs/dbraw/zinc/63/31/60/1297633160.db2.gz PBEIIIMIMJOXID-YNZJMPHRSA-N 0 3 335.359 2.154 20 10 EECDHN NC(=O)[C@H]1OC2(CC[NH+](Cc3ccccc3[O-])CC2)c2ccccc21 ZINC001277440579 1303025367 /nfs/dbraw/zinc/02/53/67/1303025367.db2.gz CIXSKOVWWBSXQL-SFHVURJKSA-N 0 3 338.407 2.440 20 10 EECDHN CCOCCN1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001230404613 1303199308 /nfs/dbraw/zinc/19/93/08/1303199308.db2.gz KXGOAWXNCGPPPH-UHFFFAOYSA-N 0 3 347.419 2.080 20 10 EECDHN COc1cnc(N2CCN(Cc3c(C)cc(C)cc3O)CC2)nc1 ZINC001231848337 1303929647 /nfs/dbraw/zinc/92/96/47/1303929647.db2.gz GFXLSSKVLWNOCS-UHFFFAOYSA-N 0 3 328.416 2.130 20 10 EECDHN CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000783505688 1304289557 /nfs/dbraw/zinc/28/95/57/1304289557.db2.gz WQVPYYLUHXQUOG-CYBMUJFWSA-N 0 3 334.441 2.292 20 10 EECDHN CN(Cc1ccc(I)cc1[O-])C[C@@H]1CCC[NH2+]1 ZINC001236122431 1305506401 /nfs/dbraw/zinc/50/64/01/1305506401.db2.gz SNNRQHYOVURUCF-LBPRGKRZSA-N 0 3 346.212 2.181 20 10 EECDHN CC[N@H+](CCN1CCOCC1)Cc1c([O-])cccc1OC(F)(F)F ZINC001237122436 1305805066 /nfs/dbraw/zinc/80/50/66/1305805066.db2.gz IVGGEOCGQXTPRW-UHFFFAOYSA-N 0 3 348.365 2.445 20 10 EECDHN CC[N@@H+](CCN1CCOCC1)Cc1c([O-])cccc1OC(F)(F)F ZINC001237122436 1305805080 /nfs/dbraw/zinc/80/50/80/1305805080.db2.gz IVGGEOCGQXTPRW-UHFFFAOYSA-N 0 3 348.365 2.445 20 10 EECDHN CCN(CCN1CCOCC1)Cc1c(O)cccc1OC(F)(F)F ZINC001237122436 1305805095 /nfs/dbraw/zinc/80/50/95/1305805095.db2.gz IVGGEOCGQXTPRW-UHFFFAOYSA-N 0 3 348.365 2.445 20 10 EECDHN Cc1cc(F)cc(CN2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)c1O ZINC001238061746 1306205824 /nfs/dbraw/zinc/20/58/24/1306205824.db2.gz RSVPPTTUCARSQQ-ZACQAIPSSA-N 0 3 348.418 2.098 20 10 EECDHN C[C@H]1CN(C(=O)C23CC([NH2+]Cc4cc(F)ccc4[O-])(C2)C3)C[C@H](C)O1 ZINC001278254981 1308919781 /nfs/dbraw/zinc/91/97/81/1308919781.db2.gz KVWGYKFKENMMHK-IJKBLAIYSA-N 0 3 348.418 2.179 20 10 EECDHN Cc1c(O)ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001140750076 1314955432 /nfs/dbraw/zinc/95/54/32/1314955432.db2.gz UVYBOHRCMOWXQH-UONOGXRCSA-N 0 3 334.416 2.457 20 10 EECDHN COc1ccc(N2CCC(NC(=O)N3CCN[C@H](C)[C@@H]3C)CC2)cc1 ZINC000841779819 1315611815 /nfs/dbraw/zinc/61/18/15/1315611815.db2.gz ZNEUVGVTZCAVAF-CABCVRRESA-N 0 3 346.475 2.056 20 10 EECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@]1(O)CCc2ccccc21 ZINC000842624115 1315736296 /nfs/dbraw/zinc/73/62/96/1315736296.db2.gz NBVMEQRJDLGOED-QUCCMNQESA-N 0 3 341.407 2.084 20 10 EECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@]1(O)CCc2ccccc21 ZINC000842624115 1315736299 /nfs/dbraw/zinc/73/62/99/1315736299.db2.gz NBVMEQRJDLGOED-QUCCMNQESA-N 0 3 341.407 2.084 20 10 EECDHN COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])C2 ZINC001249185587 1317019752 /nfs/dbraw/zinc/01/97/52/1317019752.db2.gz NWBPPYUGZQXYGU-APWZRJJASA-N 0 3 333.428 2.356 20 10 EECDHN COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])C2 ZINC001249185587 1317019758 /nfs/dbraw/zinc/01/97/58/1317019758.db2.gz NWBPPYUGZQXYGU-APWZRJJASA-N 0 3 333.428 2.356 20 10 EECDHN [NH3+][C@H](Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1[O-] ZINC001249340378 1317057511 /nfs/dbraw/zinc/05/75/11/1317057511.db2.gz ZYXAWQRRFWMPGN-GFCCVEGCSA-N 0 3 325.324 2.413 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@H]2COC)c([O-])c1 ZINC001249743928 1317162198 /nfs/dbraw/zinc/16/21/98/1317162198.db2.gz PTQVNJXDFXGIAW-HNNXBMFYSA-N 0 3 337.416 2.335 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@H]2COC)c([O-])c1 ZINC001249743928 1317162203 /nfs/dbraw/zinc/16/22/03/1317162203.db2.gz PTQVNJXDFXGIAW-HNNXBMFYSA-N 0 3 337.416 2.335 20 10 EECDHN CCOC(=O)CCCOc1ccc(CN2CC[C@H]2COC)c(O)c1 ZINC001249743928 1317162207 /nfs/dbraw/zinc/16/22/07/1317162207.db2.gz PTQVNJXDFXGIAW-HNNXBMFYSA-N 0 3 337.416 2.335 20 10 EECDHN CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001254020188 1317984260 /nfs/dbraw/zinc/98/42/60/1317984260.db2.gz VEGHPYQFGXEWLQ-MRXNPFEDSA-N 0 3 347.411 2.415 20 10 EECDHN COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C[C@H]1C(=O)OC ZINC001257721316 1319057962 /nfs/dbraw/zinc/05/79/62/1319057962.db2.gz SQTIULFDCCTJHE-AYRXBEOTSA-N 0 3 335.400 2.174 20 10 EECDHN CCN1CC2(CC[NH+](Cc3ccccc3[O-])CC2)[C@H](COC)C1=O ZINC001203552102 1321910439 /nfs/dbraw/zinc/91/04/39/1321910439.db2.gz AMOVDRLTBUABIL-MRXNPFEDSA-N 0 3 332.444 2.099 20 10 EECDHN COc1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001203634568 1321929042 /nfs/dbraw/zinc/92/90/42/1321929042.db2.gz MCBIEICITMFHGX-UKRRQHHQSA-N 0 3 334.416 2.452 20 10 EECDHN COCCCN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC001203645408 1321931266 /nfs/dbraw/zinc/93/12/66/1321931266.db2.gz HCVDIKUHELJODT-UHFFFAOYSA-N 0 3 343.265 2.309 20 10 EECDHN CN(Cc1ccc(O)c(O)c1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001203878860 1321981543 /nfs/dbraw/zinc/98/15/43/1321981543.db2.gz DXFZTXGPFXZILK-VIKVFOODSA-N 0 3 334.416 2.395 20 10 EECDHN COCCN1CCC2(CCN(Cc3ccc(N(C)C)cc3)CC2)C1=O ZINC001203933443 1321994504 /nfs/dbraw/zinc/99/45/04/1321994504.db2.gz LDIKUCIDVWYBGF-UHFFFAOYSA-N 0 3 345.487 2.214 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(Br)c1 ZINC001206444306 1323494720 /nfs/dbraw/zinc/49/47/20/1323494720.db2.gz HBQOWLNVGMPYRB-IUCAKERBSA-N 0 3 333.201 2.034 20 10 EECDHN COc1ccc(N2CCN(C[C@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC001208956580 1324736492 /nfs/dbraw/zinc/73/64/92/1324736492.db2.gz BRLSBHBWBLSXFN-QGZVFWFLSA-N 0 3 331.460 2.076 20 10 EECDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc3cccnc3c2O)C1(C)C ZINC001578090249 1344233532 /nfs/dbraw/zinc/23/35/32/1344233532.db2.gz GKGDKFGFGNBMGW-AUUYWEPGSA-N 0 3 343.427 2.089 20 10 EECDHN COc1ccccc1CCNC(=O)CNCc1ccc(N(C)C)cc1 ZINC000781060641 1371185294 /nfs/dbraw/zinc/18/52/94/1371185294.db2.gz NXFRTCOJBMOYKU-UHFFFAOYSA-N 0 3 341.455 2.210 20 10 EECDHN CC[C@@H](C(=O)NCCC1=CCN(c2cccc(F)n2)CC1)N(C)C ZINC001089834902 777396512 /nfs/dbraw/zinc/39/65/12/777396512.db2.gz OODAWWJWKWYFQV-HNNXBMFYSA-N 0 3 334.439 2.204 20 10 EECDHN COc1cc([O-])c(CN(C)[C@H]2CC[N@H+](C)C2)c(Br)c1 ZINC001237072858 778779369 /nfs/dbraw/zinc/77/93/69/778779369.db2.gz LTVRBVNSFFJTGN-JTQLQIEISA-N 0 3 329.238 2.299 20 10 EECDHN COc1cc([O-])c(CN(C)[C@H]2CC[N@@H+](C)C2)c(Br)c1 ZINC001237072858 778779373 /nfs/dbraw/zinc/77/93/73/778779373.db2.gz LTVRBVNSFFJTGN-JTQLQIEISA-N 0 3 329.238 2.299 20 10 EECDHN CCC(C)(C)N1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000847037843 790824187 /nfs/dbraw/zinc/82/41/87/790824187.db2.gz GFEOHMFZNJFFGV-UHFFFAOYSA-N 0 3 346.519 2.175 20 10 EECDHN COCC[NH2+]CCN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817965762 785102978 /nfs/dbraw/zinc/10/29/78/785102978.db2.gz ZROZLPXBSORGSI-VIFPVBQESA-N 0 3 335.217 2.180 20 10 EECDHN O=[N+]([O-])c1cc(CNCCO[C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000922941954 788388183 /nfs/dbraw/zinc/38/81/83/788388183.db2.gz ODZCUELSACXART-MRXNPFEDSA-N 0 3 349.431 2.480 20 10 EECDHN Nc1cn(C(=O)c2cccc(O)c2[O-])cc(-c2cccc(F)c2)c1=[NH2+] ZINC001148212300 792245885 /nfs/dbraw/zinc/24/58/85/792245885.db2.gz WNFMXCMPWUOWIT-UHFFFAOYSA-N 0 3 339.326 2.456 20 10 EECDHN CCN(CC)C(=O)C[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC001169455597 803758986 /nfs/dbraw/zinc/75/89/86/803758986.db2.gz CEJHHQVZLZKTFS-MRXNPFEDSA-N 0 3 333.476 2.464 20 10 EECDHN COc1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)c([O-])c1 ZINC000793387967 810312124 /nfs/dbraw/zinc/31/21/24/810312124.db2.gz CZRAXCAJDRERFH-UHFFFAOYSA-N 0 3 328.347 2.410 20 10 EECDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(C)n1-c1ccccc1C ZINC000808173602 812518410 /nfs/dbraw/zinc/51/84/10/812518410.db2.gz CPJHJJULDBSMMJ-MRXNPFEDSA-N 0 3 329.444 2.055 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CCN(C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000296156187 465098011 /nfs/dbraw/zinc/09/80/11/465098011.db2.gz WEYKOHCMGGHDLJ-LBPRGKRZSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@H+]2CCN(C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000296156187 465098015 /nfs/dbraw/zinc/09/80/15/465098015.db2.gz WEYKOHCMGGHDLJ-LBPRGKRZSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000296156187 465098018 /nfs/dbraw/zinc/09/80/18/465098018.db2.gz WEYKOHCMGGHDLJ-LBPRGKRZSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000296156187 465098022 /nfs/dbraw/zinc/09/80/22/465098022.db2.gz WEYKOHCMGGHDLJ-LBPRGKRZSA-N 0 3 335.404 2.225 20 10 EECDHN Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1[O-] ZINC000296653257 465229121 /nfs/dbraw/zinc/22/91/21/465229121.db2.gz WMQOKPBKAJAJCQ-OAHLLOKOSA-N 0 3 336.432 2.426 20 10 EECDHN CN(C)c1ccc(CNC(=O)CN(C)CCC2CCOCC2)cc1 ZINC000120754781 463035066 /nfs/dbraw/zinc/03/50/66/463035066.db2.gz WQFQSRJQKPZXEW-UHFFFAOYSA-N 0 3 333.476 2.117 20 10 EECDHN C[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCCCNC1=O ZINC000123817068 463371765 /nfs/dbraw/zinc/37/17/65/463371765.db2.gz KMFDZWYBUDJMGU-LBPRGKRZSA-N 0 3 327.222 2.255 20 10 EECDHN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCCCNC1=O ZINC000123817068 463371768 /nfs/dbraw/zinc/37/17/68/463371768.db2.gz KMFDZWYBUDJMGU-LBPRGKRZSA-N 0 3 327.222 2.255 20 10 EECDHN COCCN(CCN(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171632838 463897063 /nfs/dbraw/zinc/89/70/63/463897063.db2.gz AAWFCAWAWGYBEM-UHFFFAOYSA-N 0 3 348.491 2.006 20 10 EECDHN COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000186128090 463940020 /nfs/dbraw/zinc/94/00/20/463940020.db2.gz QMJZSMUFXXHFLM-ZDUSSCGKSA-N 0 3 336.432 2.079 20 10 EECDHN COc1ccc([O-])c(C[NH2+]CCn2cc(Br)cn2)c1 ZINC000289832308 464096863 /nfs/dbraw/zinc/09/68/63/464096863.db2.gz UINWVNSTZAXCDW-UHFFFAOYSA-N 0 3 326.194 2.150 20 10 EECDHN C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc2c(cc1[O-])CCCC2 ZINC000289984935 464103714 /nfs/dbraw/zinc/10/37/14/464103714.db2.gz YDEZXRLCKMPHEO-CYBMUJFWSA-N 0 3 330.432 2.096 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)COC2)c1[O-] ZINC000187384938 464123691 /nfs/dbraw/zinc/12/36/91/464123691.db2.gz MWPSZWZVIUPCGS-JTQLQIEISA-N 0 3 330.222 2.123 20 10 EECDHN COCCCN(C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175640754 464593145 /nfs/dbraw/zinc/59/31/45/464593145.db2.gz VDVIVCPZHGSAHQ-UHFFFAOYSA-N 0 3 348.491 2.054 20 10 EECDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)[C@@H]2C1 ZINC000272418995 464601848 /nfs/dbraw/zinc/60/18/48/464601848.db2.gz HEJTYFLOOJOIAU-QFBILLFUSA-N 0 3 342.487 2.305 20 10 EECDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000182464978 464662556 /nfs/dbraw/zinc/66/25/56/464662556.db2.gz DSIHKHIJCBXVEY-CABZTGNLSA-N 0 3 332.322 2.215 20 10 EECDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC(C)(CO)CO ZINC000183083536 464793457 /nfs/dbraw/zinc/79/34/57/464793457.db2.gz YWZMFIMMTDQDOU-UHFFFAOYSA-N 0 3 345.439 2.394 20 10 EECDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC(C)(CO)CO ZINC000183083536 464793462 /nfs/dbraw/zinc/79/34/62/464793462.db2.gz YWZMFIMMTDQDOU-UHFFFAOYSA-N 0 3 345.439 2.394 20 10 EECDHN C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000176986616 464899761 /nfs/dbraw/zinc/89/97/61/464899761.db2.gz JXQCJCLEKQKRRL-LLVKDONJSA-N 0 3 338.404 2.072 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c([O-])c1C ZINC000359958890 465511272 /nfs/dbraw/zinc/51/12/72/465511272.db2.gz LGKJJYNUQUQYFW-ZWKOTPCHSA-N 0 3 347.503 2.066 20 10 EECDHN COc1cc(O)c(CN2CCC[C@H](c3noc(C)n3)C2)cc1OC ZINC000371360527 465741761 /nfs/dbraw/zinc/74/17/61/465741761.db2.gz HJSBARJPQQMVLA-LBPRGKRZSA-N 0 3 333.388 2.480 20 10 EECDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369126266 466715094 /nfs/dbraw/zinc/71/50/94/466715094.db2.gz RCBYEMRDTRCIJC-DLBZAZTESA-N 0 3 347.459 2.177 20 10 EECDHN COc1ncc(/C=C\C(=O)N(CCN(C)C)c2ccccc2)cn1 ZINC000492712998 467722808 /nfs/dbraw/zinc/72/28/08/467722808.db2.gz VNEVTAYTFVVHTF-KTKRTIGZSA-N 0 3 326.400 2.093 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000092218322 528661881 /nfs/dbraw/zinc/66/18/81/528661881.db2.gz FUXCRDIUSGBNSI-QGZVFWFLSA-N 0 3 334.460 2.478 20 10 EECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000092218322 528661883 /nfs/dbraw/zinc/66/18/83/528661883.db2.gz FUXCRDIUSGBNSI-QGZVFWFLSA-N 0 3 334.460 2.478 20 10 EECDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(=O)Nc2ccccc2)c1 ZINC000775375478 577436130 /nfs/dbraw/zinc/43/61/30/577436130.db2.gz LVLCKMYXVXPUFJ-LBPRGKRZSA-N 0 3 343.383 2.400 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1[O-] ZINC000776520164 577461372 /nfs/dbraw/zinc/46/13/72/577461372.db2.gz ISSLJRKKPAICMR-MRXNPFEDSA-N 0 3 345.823 2.237 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000770332980 577594063 /nfs/dbraw/zinc/59/40/63/577594063.db2.gz UBQQJZJLPWDLCA-CXAGYDPISA-N 0 3 331.416 2.080 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000770332980 577594064 /nfs/dbraw/zinc/59/40/64/577594064.db2.gz UBQQJZJLPWDLCA-CXAGYDPISA-N 0 3 331.416 2.080 20 10 EECDHN CN(C)CCOc1ccc(N(C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1 ZINC000761221318 577679601 /nfs/dbraw/zinc/67/96/01/577679601.db2.gz FBOWMYDWPHQALL-UHFFFAOYSA-N 0 3 344.459 2.293 20 10 EECDHN CN1CCN(c2ccc(CN3CCOCC4(CCC4)C3)cc2)CC1 ZINC000761225572 577679686 /nfs/dbraw/zinc/67/96/86/577679686.db2.gz JIDZYFFVZPNBEU-UHFFFAOYSA-N 0 3 329.488 2.441 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000756489660 577844946 /nfs/dbraw/zinc/84/49/46/577844946.db2.gz QRYVXGKENBDNGN-NQBHXWOUSA-N 0 3 342.436 2.093 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c2c1c(F)ccc2[O-] ZINC000756788423 577850195 /nfs/dbraw/zinc/85/01/95/577850195.db2.gz ULRGYDHCWYKOHN-MPXAEWJHSA-N 0 3 336.407 2.305 20 10 EECDHN O=C(NCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000743691100 577889036 /nfs/dbraw/zinc/88/90/36/577889036.db2.gz MFCPTPBXAVGVJJ-UHFFFAOYSA-N 0 3 346.431 2.201 20 10 EECDHN Cc1[nH]nc(Cl)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245455 676239574 /nfs/dbraw/zinc/23/95/74/676239574.db2.gz FIWLRXABBFGHEI-CQSZACIVSA-N 0 3 349.866 2.470 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)c2ccccc2)N(C)C)cc1 ZINC000891246348 676240418 /nfs/dbraw/zinc/24/04/18/676240418.db2.gz BEDDPTYPJHKTJV-OALUTQOASA-N 0 3 341.455 2.205 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/C2CCOCC2)N(C)C)cc1 ZINC000891254170 676250748 /nfs/dbraw/zinc/25/07/48/676250748.db2.gz WWEARLSEODEAPL-CEQQRPIWSA-N 0 3 345.487 2.454 20 10 EECDHN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(=O)[nH]1 ZINC000891255234 676252557 /nfs/dbraw/zinc/25/25/57/676252557.db2.gz NYAFNXKTXOFKGR-KRWDZBQOSA-N 0 3 342.443 2.194 20 10 EECDHN COc1ccc(CN2CCS[C@H]3COCC[C@@H]32)c(O)c1OC ZINC000892209257 678256691 /nfs/dbraw/zinc/25/66/91/678256691.db2.gz AHFBNJSRNZHQQL-JSGCOSHPSA-N 0 3 325.430 2.116 20 10 EECDHN CC[C@H](COC)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893114025 683795207 /nfs/dbraw/zinc/79/52/07/683795207.db2.gz SXFGTHKYJJJJRI-WBVHZDCISA-N 0 3 336.480 2.080 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCCc2ccoc2)N(C)C)cc1 ZINC000895780975 684725978 /nfs/dbraw/zinc/72/59/78/684725978.db2.gz WGEGNVMMCDYPLN-SFHVURJKSA-N 0 3 344.459 2.490 20 10 EECDHN CC[C@]1(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCOC1 ZINC000899102118 693606530 /nfs/dbraw/zinc/60/65/30/693606530.db2.gz KFZLYOUQCQFZMX-HKUYNNGSSA-N 0 3 348.491 2.224 20 10 EECDHN COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC000138447932 1188321905 /nfs/dbraw/zinc/32/19/05/1188321905.db2.gz XTHWRCOKGCXENW-DZGCQCFKSA-N 0 3 326.396 2.182 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC000138447932 1188321908 /nfs/dbraw/zinc/32/19/08/1188321908.db2.gz XTHWRCOKGCXENW-DZGCQCFKSA-N 0 3 326.396 2.182 20 10 EECDHN CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625273 1190936943 /nfs/dbraw/zinc/93/69/43/1190936943.db2.gz JNYADAWKOBUWMG-AUUYWEPGSA-N 0 3 348.443 2.003 20 10 EECDHN CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625273 1190936946 /nfs/dbraw/zinc/93/69/46/1190936946.db2.gz JNYADAWKOBUWMG-AUUYWEPGSA-N 0 3 348.443 2.003 20 10 EECDHN CCOCCN1CC[C@]2(CCCN2Cc2ccc(OC)cc2O)C1=O ZINC001272625650 1190937560 /nfs/dbraw/zinc/93/75/60/1190937560.db2.gz NMWIQEGMXYWJQK-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](N)CCC(C)C)C2)cc1 ZINC000876931844 1199822226 /nfs/dbraw/zinc/82/22/26/1199822226.db2.gz XBAUJUNRXPJRQF-YJBOKZPZSA-N 0 3 333.476 2.401 20 10 EECDHN COc1ccc(C[C@@H](CO)C[NH2+]Cc2c(C)cccc2[O-])cc1O ZINC000877527904 1199957570 /nfs/dbraw/zinc/95/75/70/1199957570.db2.gz UAYNXYGPOKSYOJ-OAHLLOKOSA-N 0 3 331.412 2.356 20 10 EECDHN Cc1ccc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000877655779 1200009986 /nfs/dbraw/zinc/00/99/86/1200009986.db2.gz KSLHFCFLGCCBKE-OAHLLOKOSA-N 0 3 336.432 2.426 20 10 EECDHN C[C@@H]([NH2+]C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000879649136 1201193556 /nfs/dbraw/zinc/19/35/56/1201193556.db2.gz JGBGPZJBDGDNEO-ACJLOTCBSA-N 0 3 349.452 2.354 20 10 EECDHN COc1ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001275276404 1205295772 /nfs/dbraw/zinc/29/57/72/1205295772.db2.gz XQLUUKJZCOIQBJ-HDICACEKSA-N 0 3 332.444 2.228 20 10 EECDHN CCn1ccnc1CN1CC2(C1)CN(Cc1cc(C)ccc1O)C2 ZINC001275311575 1205305513 /nfs/dbraw/zinc/30/55/13/1205305513.db2.gz FDHPRQKUROAMRC-UHFFFAOYSA-N 0 3 326.444 2.235 20 10 EECDHN [O-]c1cc(F)c(F)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC001275775288 1205521657 /nfs/dbraw/zinc/52/16/57/1205521657.db2.gz YHISIZXOCFTOGO-GASCZTMLSA-N 0 3 348.397 2.216 20 10 EECDHN [O-]c1cc(F)c(F)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccnc1 ZINC001275775288 1205521658 /nfs/dbraw/zinc/52/16/58/1205521658.db2.gz YHISIZXOCFTOGO-GASCZTMLSA-N 0 3 348.397 2.216 20 10 EECDHN Cc1ccc(C)c(CN2C[C@@H]3OCCN(C(=O)NC(C)C)[C@H]3C2)c1O ZINC001275968885 1205607985 /nfs/dbraw/zinc/60/79/85/1205607985.db2.gz RAFCKXKRPANDBV-IRXDYDNUSA-N 0 3 347.459 2.012 20 10 EECDHN OC1(C(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000779207561 1209351278 /nfs/dbraw/zinc/35/12/78/1209351278.db2.gz ZYUXUMSTUROTRO-UHFFFAOYSA-N 0 3 326.387 2.115 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCN(CCCF)C2)cc1 ZINC001009687147 1223332727 /nfs/dbraw/zinc/33/27/27/1223332727.db2.gz YJPMDUKAKUCMBN-AWEZNQCLSA-N 0 3 335.383 2.403 20 10 EECDHN C[C@H](F)CCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016380932 1226415699 /nfs/dbraw/zinc/41/56/99/1226415699.db2.gz GDZULXCQMZZKMK-FZMZJTMJSA-N 0 3 335.383 2.401 20 10 EECDHN C[C@H]1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)N1C1CC1 ZINC000900184731 1234073134 /nfs/dbraw/zinc/07/31/34/1234073134.db2.gz FVVJPOKNCCUOBF-SUMWQHHRSA-N 0 3 344.459 2.170 20 10 EECDHN CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)N2CCCC2)cc1 ZINC000903291414 1240188495 /nfs/dbraw/zinc/18/84/95/1240188495.db2.gz YTIGADKGQPFBOC-OAHLLOKOSA-N 0 3 339.505 2.219 20 10 EECDHN COC(=O)CCN1CCN(Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815085075 1278051307 /nfs/dbraw/zinc/05/13/07/1278051307.db2.gz KEJRZLJEUXUPFK-MRXNPFEDSA-N 0 3 333.476 2.130 20 10 EECDHN C[C@H]([C@H](C)NCc1cc(F)c(N(C)C)cc1F)N1CCOCC1 ZINC000858129681 1294016235 /nfs/dbraw/zinc/01/62/35/1294016235.db2.gz OOOFOZSWGHTMRB-QWHCGFSZSA-N 0 3 327.419 2.230 20 10 EECDHN CN(C)c1cc(F)c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1F ZINC000862239149 1295765365 /nfs/dbraw/zinc/76/53/65/1295765365.db2.gz XGOUQSJJPHEKAX-WMZOPIPTSA-N 0 3 339.430 2.062 20 10 EECDHN O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCNC[C@@H]3F)ccc(O)c21 ZINC001218067115 1297561546 /nfs/dbraw/zinc/56/15/46/1297561546.db2.gz QZYGPGICXMUEQD-GXTWGEPZSA-N 0 3 341.338 2.246 20 10 EECDHN [NH3+][C@@H](CC(F)F)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212346 1298306198 /nfs/dbraw/zinc/30/61/98/1298306198.db2.gz GECRLSYCUVRFFB-JTQLQIEISA-N 0 3 329.734 2.193 20 10 EECDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c([O-])ccc3ccccc32)O1 ZINC001231587125 1303855849 /nfs/dbraw/zinc/85/58/49/1303855849.db2.gz KKHIBEOYNFTZDM-BHIYHBOVSA-N 0 3 340.423 2.365 20 10 EECDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c([O-])ccc3ccccc32)O1 ZINC001231587125 1303855857 /nfs/dbraw/zinc/85/58/57/1303855857.db2.gz KKHIBEOYNFTZDM-BHIYHBOVSA-N 0 3 340.423 2.365 20 10 EECDHN Cc1cccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)c1O ZINC001231594537 1303860336 /nfs/dbraw/zinc/86/03/36/1303860336.db2.gz KMOIMJOLKPQYBB-LSDHHAIUSA-N 0 3 336.432 2.161 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1[O-] ZINC001233291316 1304418659 /nfs/dbraw/zinc/41/86/59/1304418659.db2.gz VVINJCQOHLNEPG-RISCZKNCSA-N 0 3 338.835 2.497 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1[O-] ZINC001233291316 1304418661 /nfs/dbraw/zinc/41/86/61/1304418661.db2.gz VVINJCQOHLNEPG-RISCZKNCSA-N 0 3 338.835 2.497 20 10 EECDHN CN1CCN(CC[N@H+](C)Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418631 1304461667 /nfs/dbraw/zinc/46/16/67/1304461667.db2.gz PCRVAQYRKYTALI-UHFFFAOYSA-N 0 3 331.382 2.090 20 10 EECDHN CN1CCN(CC[N@@H+](C)Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418631 1304461673 /nfs/dbraw/zinc/46/16/73/1304461673.db2.gz PCRVAQYRKYTALI-UHFFFAOYSA-N 0 3 331.382 2.090 20 10 EECDHN CC(=O)N1CCCC[C@]12CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233485065 1304477273 /nfs/dbraw/zinc/47/72/73/1304477273.db2.gz HSHHMVHXZJHGMS-GOSISDBHSA-N 0 3 334.416 2.170 20 10 EECDHN CCN(CCN(C)C(=O)OC(C)(C)C)Cc1cc(O)c(O)cc1O ZINC001233487056 1304478685 /nfs/dbraw/zinc/47/86/85/1304478685.db2.gz NSGCBROWKQEONB-UHFFFAOYSA-N 0 3 340.420 2.492 20 10 EECDHN COc1cc(C[N@H+](C)CCC2OCCO2)c([O-])cc1Br ZINC001236755831 1305661266 /nfs/dbraw/zinc/66/12/66/1305661266.db2.gz GNFMQIBVDPEARQ-UHFFFAOYSA-N 0 3 346.221 2.358 20 10 EECDHN COc1cc(C[N@@H+](C)CCC2OCCO2)c([O-])cc1Br ZINC001236755831 1305661269 /nfs/dbraw/zinc/66/12/69/1305661269.db2.gz GNFMQIBVDPEARQ-UHFFFAOYSA-N 0 3 346.221 2.358 20 10 EECDHN COC(=O)[C@@H]1COCCC12CN(Cc1c(C)n(C)c3ccccc13)C2 ZINC001138258054 1314583204 /nfs/dbraw/zinc/58/32/04/1314583204.db2.gz JONBGACEQJFYCX-KRWDZBQOSA-N 0 3 342.439 2.498 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC(N2CCC(F)CC2)C1 ZINC001139129354 1314708292 /nfs/dbraw/zinc/70/82/92/1314708292.db2.gz WXSFUVPTFXOXLP-UHFFFAOYSA-N 0 3 346.402 2.425 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001139132608 1314708967 /nfs/dbraw/zinc/70/89/67/1314708967.db2.gz YBYFGHKKJPXBOM-LJQANCHMSA-N 0 3 328.412 2.335 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001139132608 1314708971 /nfs/dbraw/zinc/70/89/71/1314708971.db2.gz YBYFGHKKJPXBOM-LJQANCHMSA-N 0 3 328.412 2.335 20 10 EECDHN O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3cc(F)ccc3[O-])C[C@H]2C1 ZINC001140054199 1314806020 /nfs/dbraw/zinc/80/60/20/1314806020.db2.gz LRVQVNPDYPNDIJ-KBPBESRZSA-N 0 3 330.359 2.328 20 10 EECDHN C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H](C)CN1 ZINC000841849533 1315622645 /nfs/dbraw/zinc/62/26/45/1315622645.db2.gz ZLALBEZKHGQLFP-RYUDHWBXSA-N 0 3 330.457 2.139 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001249724137 1317158773 /nfs/dbraw/zinc/15/87/73/1317158773.db2.gz FUKLFXQUWRMFTK-HNNXBMFYSA-N 0 3 337.416 2.071 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001249724137 1317158778 /nfs/dbraw/zinc/15/87/78/1317158778.db2.gz FUKLFXQUWRMFTK-HNNXBMFYSA-N 0 3 337.416 2.071 20 10 EECDHN COC(=O)[C@@H]1CCN(Cc2cc(C)c(Br)cc2O)C1 ZINC001250120915 1317215646 /nfs/dbraw/zinc/21/56/46/1317215646.db2.gz UWRZTFCDOLHRFR-SNVBAGLBSA-N 0 3 328.206 2.458 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001203552497 1321911169 /nfs/dbraw/zinc/91/11/69/1321911169.db2.gz MXUNFRIOJNOKCU-BEFAXECRSA-N 0 3 344.386 2.454 20 10 EECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001203552497 1321911172 /nfs/dbraw/zinc/91/11/72/1321911172.db2.gz MXUNFRIOJNOKCU-BEFAXECRSA-N 0 3 344.386 2.454 20 10 EECDHN COc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3C2)c(O)c1 ZINC001203623596 1321925751 /nfs/dbraw/zinc/92/57/51/1321925751.db2.gz UTPSCJZFCHXYHM-UHFFFAOYSA-N 0 3 344.459 2.453 20 10 EECDHN COc1ccc(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)c([O-])c1 ZINC001203634391 1321929432 /nfs/dbraw/zinc/92/94/32/1321929432.db2.gz CPIRKYLDTLPBOE-UHFFFAOYSA-N 0 3 341.411 2.190 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001204273463 1322100114 /nfs/dbraw/zinc/10/01/14/1322100114.db2.gz PYBGQZVPAWQJIJ-UHFFFAOYSA-N 0 3 340.427 2.089 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001204273463 1322100117 /nfs/dbraw/zinc/10/01/17/1322100117.db2.gz PYBGQZVPAWQJIJ-UHFFFAOYSA-N 0 3 340.427 2.089 20 10 EECDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205725475 1323269890 /nfs/dbraw/zinc/26/98/90/1323269890.db2.gz IEVDMLIBGRCVKR-OAHLLOKOSA-N 0 3 343.265 2.139 20 10 EECDHN CCN1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H](C)C1 ZINC001323999249 1333585741 /nfs/dbraw/zinc/58/57/41/1333585741.db2.gz GFTISDSFXSTDQE-MRXNPFEDSA-N 0 3 334.483 2.104 20 10 EECDHN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@H](N2CCCC2)C1 ZINC001338751041 1336903572 /nfs/dbraw/zinc/90/35/72/1336903572.db2.gz QMSHIQUVQGGFCB-LBPRGKRZSA-N 0 3 333.461 2.314 20 10 EECDHN OC[C@H]1CN(Cc2c(O)cccc2F)CCN1Cc1ccccc1 ZINC001137832003 1372280131 /nfs/dbraw/zinc/28/01/31/1372280131.db2.gz WOVFAKQYLGAWNX-MRXNPFEDSA-N 0 3 330.403 2.210 20 10 EECDHN CN(C)c1ccc([C@@H](N)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC000832293192 1372424518 /nfs/dbraw/zinc/42/45/18/1372424518.db2.gz RDNCVLAFYQSQAI-ONYGOOLBSA-N 0 3 343.471 2.264 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(N2CCC2)CC1 ZINC001139130263 1372464281 /nfs/dbraw/zinc/46/42/81/1372464281.db2.gz WHIHSMRZYLQGOG-UHFFFAOYSA-N 0 3 328.412 2.477 20 10 EECDHN CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1CCOC ZINC001087844342 782360796 /nfs/dbraw/zinc/36/07/96/782360796.db2.gz UJAJKEBMSSCKRI-LSDHHAIUSA-N 0 3 347.419 2.078 20 10 EECDHN COc1cc([O-])c(CN2[C@H](C)C[NH2+]C[C@H]2C)cc1Br ZINC001236104297 769196765 /nfs/dbraw/zinc/19/67/65/769196765.db2.gz YSOQAAWXNUFSFL-NXEZZACHSA-N 0 3 329.238 2.346 20 10 EECDHN CCCN(C)CC(=O)NCCC1=CCN(c2cc(C)nc(C)n2)CC1 ZINC001089840560 777612723 /nfs/dbraw/zinc/61/27/23/777612723.db2.gz VNHBLHARXYOWOD-UHFFFAOYSA-N 0 3 345.491 2.078 20 10 EECDHN CCN1CC[C@H](N2CCN(c3ccc(OC)cc3C)CC2)CC1=O ZINC001172053125 796842152 /nfs/dbraw/zinc/84/21/52/796842152.db2.gz OQLJIGOUEWYDNU-INIZCTEOSA-N 0 3 331.460 2.137 20 10 EECDHN Cc1ncc(CNCCCNC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001177237668 798815773 /nfs/dbraw/zinc/81/57/73/798815773.db2.gz ILALILGQEZERGR-UHFFFAOYSA-N 0 3 344.375 2.055 20 10 EECDHN Cc1nn(C)c(CNCc2ccc(N3CCN(C)CC3)cc2)c1Cl ZINC000922332049 800613619 /nfs/dbraw/zinc/61/36/19/800613619.db2.gz ALUNKKDTQHTWED-UHFFFAOYSA-N 0 3 347.894 2.424 20 10 EECDHN CN(C)[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000105206775 237087156 /nfs/dbraw/zinc/08/71/56/237087156.db2.gz KFBHMVUWPRQFNB-QGZVFWFLSA-N 0 3 330.476 2.305 20 10 EECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000296167571 465101044 /nfs/dbraw/zinc/10/10/44/465101044.db2.gz XNIRSTPMUABODB-DZGCQCFKSA-N 0 3 343.379 2.138 20 10 EECDHN C[C@@H](NC1CC1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000296407248 465184597 /nfs/dbraw/zinc/18/45/97/465184597.db2.gz LVTDJHMFSWZHMY-DNVCBOLYSA-N 0 3 345.487 2.401 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000046092644 462648003 /nfs/dbraw/zinc/64/80/03/462648003.db2.gz VTCYJSMHBUDRMO-KRWDZBQOSA-N 0 3 345.487 2.212 20 10 EECDHN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)cc1F ZINC000155069628 462843427 /nfs/dbraw/zinc/84/34/27/462843427.db2.gz WWMYCGLNHULPEK-GOSISDBHSA-N 0 3 349.450 2.151 20 10 EECDHN CN(C)CCOc1ccccc1CNC(=O)NCc1ccccc1O ZINC000263690183 464154683 /nfs/dbraw/zinc/15/46/83/464154683.db2.gz GIWDXUSODYYNBV-UHFFFAOYSA-N 0 3 343.427 2.332 20 10 EECDHN CO[C@@]1(C)CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000280582650 464220123 /nfs/dbraw/zinc/22/01/23/464220123.db2.gz SXOLCFNEAKNRAR-IBGZPJMESA-N 0 3 333.476 2.260 20 10 EECDHN CC(=O)c1cc(F)cc(CN2CCC([N@H+](C)CCCO)CC2)c1[O-] ZINC000175677904 464600402 /nfs/dbraw/zinc/60/04/02/464600402.db2.gz NVBOJEUGTSMRFQ-UHFFFAOYSA-N 0 3 338.423 2.013 20 10 EECDHN CC(=O)c1cc(F)cc(CN2CCC([N@@H+](C)CCCO)CC2)c1[O-] ZINC000175677904 464600403 /nfs/dbraw/zinc/60/04/03/464600403.db2.gz NVBOJEUGTSMRFQ-UHFFFAOYSA-N 0 3 338.423 2.013 20 10 EECDHN O=C1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCN1 ZINC000295003321 464675201 /nfs/dbraw/zinc/67/52/01/464675201.db2.gz RYIYVBFBLFULRD-WBVHZDCISA-N 0 3 332.444 2.290 20 10 EECDHN O=C1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCN1 ZINC000295003321 464675207 /nfs/dbraw/zinc/67/52/07/464675207.db2.gz RYIYVBFBLFULRD-WBVHZDCISA-N 0 3 332.444 2.290 20 10 EECDHN COc1cc(Cl)cc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000360341268 465557869 /nfs/dbraw/zinc/55/78/69/465557869.db2.gz DQPOFKNLNFOTRN-CABCVRRESA-N 0 3 340.851 2.085 20 10 EECDHN COC[C@@H]1CCCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000363818368 466629253 /nfs/dbraw/zinc/62/92/53/466629253.db2.gz KLKHCXNAGHBAHH-QGZVFWFLSA-N 0 3 333.476 2.117 20 10 EECDHN CCOc1cccc(CN[C@H]2CCCc3c2cnn3CCO)c1O ZINC000324407752 466647241 /nfs/dbraw/zinc/64/72/41/466647241.db2.gz UYCSTANIQOHTFR-HNNXBMFYSA-N 0 3 331.416 2.147 20 10 EECDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369126269 466715135 /nfs/dbraw/zinc/71/51/35/466715135.db2.gz RCBYEMRDTRCIJC-SJORKVTESA-N 0 3 347.459 2.177 20 10 EECDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000085400831 533896296 /nfs/dbraw/zinc/89/62/96/533896296.db2.gz IACUMYVKKSEALG-BBRMVZONSA-N 0 3 336.455 2.373 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(CC)CC3)C2)c([O-])c1 ZINC000093133196 528664423 /nfs/dbraw/zinc/66/44/23/528664423.db2.gz OWFLVLZSLSMGNK-SFHVURJKSA-N 0 3 347.503 2.393 20 10 EECDHN CCCOc1ccc(C[N@H+]2CC[C@H](N3CCN(CC)CC3)C2)c([O-])c1 ZINC000093133196 528664429 /nfs/dbraw/zinc/66/44/29/528664429.db2.gz OWFLVLZSLSMGNK-SFHVURJKSA-N 0 3 347.503 2.393 20 10 EECDHN C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[O-] ZINC000775131211 577430754 /nfs/dbraw/zinc/43/07/54/577430754.db2.gz TZRACOKPUYGLFX-CYBMUJFWSA-N 0 3 334.441 2.493 20 10 EECDHN COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000775136662 577430871 /nfs/dbraw/zinc/43/08/71/577430871.db2.gz ODPZXBFTNHFLMX-CQSZACIVSA-N 0 3 328.412 2.410 20 10 EECDHN CN1CCN(c2ccc(CN3CCS[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000775736286 577444296 /nfs/dbraw/zinc/44/42/96/577444296.db2.gz BKBBUJZUIMNAMC-RTBURBONSA-N 0 3 347.528 2.145 20 10 EECDHN CC(C)(CO)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000769446152 577578122 /nfs/dbraw/zinc/57/81/22/577578122.db2.gz OPLXDASXYDQVMV-UHFFFAOYSA-N 0 3 343.265 2.043 20 10 EECDHN [O-]c1cc2c(cc1CN1CCC([NH+]3CCCCC3)CC1)[C@H](O)CO2 ZINC000768440579 577555577 /nfs/dbraw/zinc/55/55/77/577555577.db2.gz QSEAREVKIMIDFU-GOSISDBHSA-N 0 3 332.444 2.268 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c([O-])c1 ZINC000769525574 577579706 /nfs/dbraw/zinc/57/97/06/577579706.db2.gz IPWUDOVPQRTNOM-LPHOPBHVSA-N 0 3 347.503 2.249 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c([O-])c1 ZINC000769525574 577579707 /nfs/dbraw/zinc/57/97/07/577579707.db2.gz IPWUDOVPQRTNOM-LPHOPBHVSA-N 0 3 347.503 2.249 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@](C)(CC)C1)cc2=O ZINC000758747800 577630635 /nfs/dbraw/zinc/63/06/35/577630635.db2.gz MCWLHMZDSLXMBK-KRWDZBQOSA-N 0 3 332.404 2.234 20 10 EECDHN C[C@H](CC(N)=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000763398226 577720617 /nfs/dbraw/zinc/72/06/17/577720617.db2.gz KIYYSOZRHPFEQJ-NEPJUHHUSA-N 0 3 325.840 2.091 20 10 EECDHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC12CC2 ZINC000763731294 577725414 /nfs/dbraw/zinc/72/54/14/577725414.db2.gz VAMIKEQLAPLHRT-JKSUJKDBSA-N 0 3 331.412 2.469 20 10 EECDHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC12CC2 ZINC000763731294 577725415 /nfs/dbraw/zinc/72/54/15/577725415.db2.gz VAMIKEQLAPLHRT-JKSUJKDBSA-N 0 3 331.412 2.469 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)C3(C)CC3)CC2)cc1 ZINC000752357034 577769612 /nfs/dbraw/zinc/76/96/12/577769612.db2.gz VGXKHJXYXBEKKY-MRXNPFEDSA-N 0 3 345.487 2.464 20 10 EECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000756489663 577844965 /nfs/dbraw/zinc/84/49/65/577844965.db2.gz QRYVXGKENBDNGN-WZRBSPASSA-N 0 3 342.436 2.093 20 10 EECDHN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC000891243307 676234388 /nfs/dbraw/zinc/23/43/88/676234388.db2.gz LJUUSIIPBOURMP-SFHVURJKSA-N 0 3 326.444 2.489 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2c(Cl)cnn2C)N(C)C)cc1 ZINC000891245218 676238090 /nfs/dbraw/zinc/23/80/90/676238090.db2.gz AFACQXFOJXZHMB-OAHLLOKOSA-N 0 3 349.866 2.172 20 10 EECDHN CNc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891245259 676238140 /nfs/dbraw/zinc/23/81/40/676238140.db2.gz BICNBSFFOPBYKD-AWEZNQCLSA-N 0 3 347.488 2.284 20 10 EECDHN COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891248567 676242720 /nfs/dbraw/zinc/24/27/20/676242720.db2.gz YURJVMYIYKZGBK-HNNXBMFYSA-N 0 3 331.416 2.387 20 10 EECDHN C[C@@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000891249726 676244577 /nfs/dbraw/zinc/24/45/77/676244577.db2.gz VZQDVNVKJXEJSO-HFTRVMKXSA-N 0 3 333.476 2.287 20 10 EECDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccnn1C ZINC000891250550 676245411 /nfs/dbraw/zinc/24/54/11/676245411.db2.gz WUXAXDAEVONJPS-RDTXWAMCSA-N 0 3 343.475 2.009 20 10 EECDHN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891255131 676251496 /nfs/dbraw/zinc/25/14/96/676251496.db2.gz NALSABWJDKWADF-GOSISDBHSA-N 0 3 326.444 2.489 20 10 EECDHN COc1ccc(CNCc2ccc(NC(C)=O)nc2)c(O)c1OC ZINC000894108060 681269647 /nfs/dbraw/zinc/26/96/47/681269647.db2.gz WPOANGODQJHEFJ-UHFFFAOYSA-N 0 3 331.372 2.053 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](CF)C2)N(C)C)cc1 ZINC000899097766 693601965 /nfs/dbraw/zinc/60/19/65/693601965.db2.gz GMPGRAFIECSMAW-RHSMWYFYSA-N 0 3 336.455 2.356 20 10 EECDHN CC[C@]1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCOC1 ZINC000899102122 693606556 /nfs/dbraw/zinc/60/65/56/693606556.db2.gz KFZLYOUQCQFZMX-MJGOQNOKSA-N 0 3 348.491 2.224 20 10 EECDHN COCCCN1CC[C@@]2(CCCN2Cc2cccc(OC)c2O)C1=O ZINC001272625264 1190937155 /nfs/dbraw/zinc/93/71/55/1190937155.db2.gz JJLAMVCSIXHXLC-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN CC[C@@H](C)N1C[C@@]2(CCN(Cc3cc(F)ccc3O)C2)OCC1=O ZINC001273285297 1197954785 /nfs/dbraw/zinc/95/47/85/1197954785.db2.gz PNWIGPYJKKYUKG-ACJLOTCBSA-N 0 3 336.407 2.133 20 10 EECDHN CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285297 1197954790 /nfs/dbraw/zinc/95/47/90/1197954790.db2.gz PNWIGPYJKKYUKG-ACJLOTCBSA-N 0 3 336.407 2.133 20 10 EECDHN CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285297 1197954797 /nfs/dbraw/zinc/95/47/97/1197954797.db2.gz PNWIGPYJKKYUKG-ACJLOTCBSA-N 0 3 336.407 2.133 20 10 EECDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876976933 1199834942 /nfs/dbraw/zinc/83/49/42/1199834942.db2.gz PQJNUWKLEHVKRM-GOSISDBHSA-N 0 3 333.476 2.027 20 10 EECDHN CCc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3[C@H](C)C(C)=O)c(O)c1 ZINC001274652893 1205116297 /nfs/dbraw/zinc/11/62/97/1205116297.db2.gz CNOIMDRVKPVOEK-FSPWUOQZSA-N 0 3 344.455 2.497 20 10 EECDHN CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1[O-])C2 ZINC001275267025 1205294163 /nfs/dbraw/zinc/29/41/63/1205294163.db2.gz JGVTYNUWFHKUQI-WBVHZDCISA-N 0 3 326.444 2.315 20 10 EECDHN CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267025 1205294165 /nfs/dbraw/zinc/29/41/65/1205294165.db2.gz JGVTYNUWFHKUQI-WBVHZDCISA-N 0 3 326.444 2.315 20 10 EECDHN O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2[O-])[nH]1 ZINC001275267330 1205294340 /nfs/dbraw/zinc/29/43/40/1205294340.db2.gz LRMAKPNHSNDOIK-CALCHBBNSA-N 0 3 325.412 2.342 20 10 EECDHN O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2[O-])[nH]1 ZINC001275267330 1205294342 /nfs/dbraw/zinc/29/43/42/1205294342.db2.gz LRMAKPNHSNDOIK-CALCHBBNSA-N 0 3 325.412 2.342 20 10 EECDHN CC(C)NC(=O)N1CCC2(CN(Cc3ccc(N(C)C)cc3O)C2)C1 ZINC001275585662 1205431478 /nfs/dbraw/zinc/43/14/78/1205431478.db2.gz YCQCEYJXXCRZKH-UHFFFAOYSA-N 0 3 346.475 2.084 20 10 EECDHN O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000778999263 1208432129 /nfs/dbraw/zinc/43/21/29/1208432129.db2.gz CGXOHABFIAZKHL-UHFFFAOYSA-N 0 3 334.313 2.422 20 10 EECDHN COc1cc(Br)cc(CN2CC[C@H]([C@H](C)O)C2)c1O ZINC000305868294 1217386602 /nfs/dbraw/zinc/38/66/02/1217386602.db2.gz NPWPDNJNOMVFID-UWVGGRQHSA-N 0 3 330.222 2.366 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)N3CCC[C@@]3(C)C2=O)N(C)C)cc1 ZINC000900184770 1234073292 /nfs/dbraw/zinc/07/32/92/1234073292.db2.gz GHJZJHURRMSFGK-APWZRJJASA-N 0 3 344.459 2.172 20 10 EECDHN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CNC4)CC2)cc1 ZINC000392705093 1253787967 /nfs/dbraw/zinc/78/79/67/1253787967.db2.gz WUZYZCMEXBJEMO-UHFFFAOYSA-N 0 3 337.423 2.261 20 10 EECDHN C[C@@H]1NC[C@H]1Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001218394649 1297651324 /nfs/dbraw/zinc/65/13/24/1297651324.db2.gz YXZCNAKCVISMCD-LKFCYVNXSA-N 0 3 338.319 2.109 20 10 EECDHN O=C([C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO[C@H]21)N1CC=CC1 ZINC001277446975 1303085037 /nfs/dbraw/zinc/08/50/37/1303085037.db2.gz XJFGXNDGIRGFEH-ZIFCJYIRSA-N 0 3 342.439 2.018 20 10 EECDHN O=C([C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO[C@H]21)N1CC=CC1 ZINC001277446975 1303085043 /nfs/dbraw/zinc/08/50/43/1303085043.db2.gz XJFGXNDGIRGFEH-ZIFCJYIRSA-N 0 3 342.439 2.018 20 10 EECDHN COc1ccc(Br)c(CN2CC(N3CCCC3)C2)c1O ZINC001231554139 1303843159 /nfs/dbraw/zinc/84/31/59/1303843159.db2.gz JYOKZDYGWLYLNH-UHFFFAOYSA-N 0 3 341.249 2.443 20 10 EECDHN CCOC[C@@H]1Cn2nccc2CN(Cc2ccc(N(C)C)cc2O)C1 ZINC001232837479 1304265697 /nfs/dbraw/zinc/26/56/97/1304265697.db2.gz IPLVYBDGLQNENH-HNNXBMFYSA-N 0 3 344.459 2.323 20 10 EECDHN CN1CCN(c2ccc(CN3CCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000783668491 1304322575 /nfs/dbraw/zinc/32/25/75/1304322575.db2.gz RLCDOLJQBIYKKE-SFHVURJKSA-N 0 3 325.460 2.499 20 10 EECDHN COc1cc([O-])c(CN2CC(C)([NH+](C)C)C2)cc1Br ZINC001233140238 1304373822 /nfs/dbraw/zinc/37/38/22/1304373822.db2.gz ALPCKLHMYFQMAB-UHFFFAOYSA-N 0 3 329.238 2.299 20 10 EECDHN COc1cc(O)c(CN2CCC(Oc3ncccn3)CC2)cc1OC ZINC001236755435 1305661128 /nfs/dbraw/zinc/66/11/28/1305661128.db2.gz CZQSZGITKRFGLT-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1C[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC001237489084 1305956146 /nfs/dbraw/zinc/95/61/46/1305956146.db2.gz VCTOCJXTACNVCG-IAGOWNOFSA-N 0 3 337.423 2.300 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001237489339 1305956723 /nfs/dbraw/zinc/95/67/23/1305956723.db2.gz WQABAXIBLZPZQF-DNVCBOLYSA-N 0 3 347.459 2.095 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001237489339 1305956724 /nfs/dbraw/zinc/95/67/24/1305956724.db2.gz WQABAXIBLZPZQF-DNVCBOLYSA-N 0 3 347.459 2.095 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3cccnc3)C2)c(O)c(OC)c1 ZINC001237675290 1306039954 /nfs/dbraw/zinc/03/99/54/1306039954.db2.gz DHXIBHYXWLEKLQ-HNNXBMFYSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cnc(O[C@H]2CCN(Cc3cc(F)cc(C)c3O)C2)nc1 ZINC001238064322 1306206477 /nfs/dbraw/zinc/20/64/77/1306206477.db2.gz BDJGUGZYVROFQV-AWEZNQCLSA-N 0 3 333.363 2.292 20 10 EECDHN Cc1ccc(C[NH+]2CCC(OCC(=O)N3CCCC3)CC2)c([O-])c1 ZINC001140953885 1314995769 /nfs/dbraw/zinc/99/57/69/1314995769.db2.gz IKEHZDZYVSXRJD-UHFFFAOYSA-N 0 3 332.444 2.304 20 10 EECDHN Cc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)c(O)c1 ZINC001140954223 1314995807 /nfs/dbraw/zinc/99/58/07/1314995807.db2.gz NNPSLVVDQFRARG-LSDHHAIUSA-N 0 3 336.432 2.161 20 10 EECDHN C[C@@H](NCc1cnc(N(C)C)n1C)c1ccc(N2CCOCC2)cc1 ZINC000840886010 1315427143 /nfs/dbraw/zinc/42/71/43/1315427143.db2.gz LGEIAAZJIOSTKQ-OAHLLOKOSA-N 0 3 343.475 2.174 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000840976512 1315450377 /nfs/dbraw/zinc/45/03/77/1315450377.db2.gz XGNBPJMEWCIIJY-HKUYNNGSSA-N 0 3 343.423 2.146 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000840976512 1315450381 /nfs/dbraw/zinc/45/03/81/1315450381.db2.gz XGNBPJMEWCIIJY-HKUYNNGSSA-N 0 3 343.423 2.146 20 10 EECDHN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)NC[C@H]3C)CC2)cc1 ZINC000841779373 1315611836 /nfs/dbraw/zinc/61/18/36/1315611836.db2.gz QSWKPXUYMZQGHB-LSDHHAIUSA-N 0 3 346.475 2.056 20 10 EECDHN CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249217434 1317026141 /nfs/dbraw/zinc/02/61/41/1317026141.db2.gz OCLCLMVUEHEHTA-INIZCTEOSA-N 0 3 349.427 2.273 20 10 EECDHN CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249217434 1317026150 /nfs/dbraw/zinc/02/61/50/1317026150.db2.gz OCLCLMVUEHEHTA-INIZCTEOSA-N 0 3 349.427 2.273 20 10 EECDHN [NH3+][C@H](Cc1nc(-c2ccc3c(c2)OCCO3)no1)c1ccccc1[O-] ZINC001249339484 1317056497 /nfs/dbraw/zinc/05/64/97/1317056497.db2.gz LJZNHRNKAWWOCI-CYBMUJFWSA-N 0 3 339.351 2.456 20 10 EECDHN COc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252895351 1317715204 /nfs/dbraw/zinc/71/52/04/1317715204.db2.gz VVQZYCBKKURLTI-HNNXBMFYSA-N 0 3 329.396 2.199 20 10 EECDHN COc1ccccc1OC[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252895351 1317715210 /nfs/dbraw/zinc/71/52/10/1317715210.db2.gz VVQZYCBKKURLTI-HNNXBMFYSA-N 0 3 329.396 2.199 20 10 EECDHN COc1ccc(N2CCN(CCCNc3ncccc3N)CC2)cc1 ZINC001156256869 1317939969 /nfs/dbraw/zinc/93/99/69/1317939969.db2.gz LFJZZGFBJDFKKC-UHFFFAOYSA-N 0 3 341.459 2.297 20 10 EECDHN CCN1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C ZINC001254010945 1317981702 /nfs/dbraw/zinc/98/17/02/1317981702.db2.gz QNXNNMYGSIAZRR-INIZCTEOSA-N 0 3 334.483 2.104 20 10 EECDHN COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@H]1C(=O)OC ZINC001257721318 1319057803 /nfs/dbraw/zinc/05/78/03/1319057803.db2.gz SQTIULFDCCTJHE-DDHJSBNISA-N 0 3 335.400 2.174 20 10 EECDHN O=c1c2ccccc2nnn1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203558709 1321912316 /nfs/dbraw/zinc/91/23/16/1321912316.db2.gz XGPXJFPMSUROAL-UHFFFAOYSA-N 0 3 336.395 2.334 20 10 EECDHN O=C(c1ccsc1)N1C[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203877233 1321980517 /nfs/dbraw/zinc/98/05/17/1321980517.db2.gz OYOODXAYWIRCJY-GJZGRUSLSA-N 0 3 344.436 2.363 20 10 EECDHN O=C1N(CC2CC2)CCC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203883368 1321981851 /nfs/dbraw/zinc/98/18/51/1321981851.db2.gz JAZCKXUCRLELCK-UHFFFAOYSA-N 0 3 330.428 2.322 20 10 EECDHN [NH3+][C@H]1CCCCN(Cc2ccc(I)cc2[O-])C1 ZINC001205939994 1323348960 /nfs/dbraw/zinc/34/89/60/1323348960.db2.gz YCIHJKRICSEKJZ-LBPRGKRZSA-N 0 3 346.212 2.310 20 10 EECDHN CCOc1ccc(N2CCN(CCC(=O)N3CCCC3)CC2)cc1 ZINC001330867147 1334917906 /nfs/dbraw/zinc/91/79/06/1334917906.db2.gz JEJQKAZLTBLSSK-UHFFFAOYSA-N 0 3 331.460 2.220 20 10 EECDHN Cc1ocnc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894007897 780385503 /nfs/dbraw/zinc/38/55/03/780385503.db2.gz IPYGZXJKMPFCRU-KRWDZBQOSA-N 0 3 345.447 2.151 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CNCCO2)c1[O-] ZINC000817984531 785133089 /nfs/dbraw/zinc/13/30/89/785133089.db2.gz ZOHLNWDAZWCCHU-JQWIXIFHSA-N 0 3 329.238 2.102 20 10 EECDHN Cc1cnccc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000824086737 788046106 /nfs/dbraw/zinc/04/61/06/788046106.db2.gz ZEWWCLMIWCDSQW-SFHVURJKSA-N 0 3 338.455 2.382 20 10 EECDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000174066308 791947789 /nfs/dbraw/zinc/94/77/89/791947789.db2.gz PPEOHZMPLHNSGD-GJZGRUSLSA-N 0 3 349.450 2.151 20 10 EECDHN CC[C@@H]1C[NH2+]CCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001235774833 796569264 /nfs/dbraw/zinc/56/92/64/796569264.db2.gz ULCZBKCIYKXARU-LLVKDONJSA-N 0 3 329.238 2.347 20 10 EECDHN CN1CCC(O)(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)CC1 ZINC001182034346 801003790 /nfs/dbraw/zinc/00/37/90/801003790.db2.gz QGGNWLBRZROVGF-UHFFFAOYSA-N 0 3 339.439 2.259 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000093134322 533478376 /nfs/dbraw/zinc/47/83/76/533478376.db2.gz MMTRVTJHJQHYMT-CQSZACIVSA-N 0 3 328.416 2.318 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000093134322 533478380 /nfs/dbraw/zinc/47/83/80/533478380.db2.gz MMTRVTJHJQHYMT-CQSZACIVSA-N 0 3 328.416 2.318 20 10 EECDHN CO[C@]1(C)C[C@H](NCC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000296371764 465174518 /nfs/dbraw/zinc/17/45/18/465174518.db2.gz SPVSTSGKVWXVRX-QFBILLFUSA-N 0 3 333.476 2.162 20 10 EECDHN CCN(CC)C(=O)CN1CCCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000129230924 462696216 /nfs/dbraw/zinc/69/62/16/462696216.db2.gz INVHMCJKVDVWOQ-UHFFFAOYSA-N 0 3 347.503 2.385 20 10 EECDHN O=C1C[C@H](c2ccccc2)N(Cc2cc3c(cc2O)OCO3)CCN1 ZINC000129563011 462713249 /nfs/dbraw/zinc/71/32/49/462713249.db2.gz WBCFTZVDQZQHJF-OAHLLOKOSA-N 0 3 340.379 2.184 20 10 EECDHN CCCN(CC(=O)NCCCC(=O)OCC)Cc1ccccc1O ZINC000069009901 463198348 /nfs/dbraw/zinc/19/83/48/463198348.db2.gz YJTWMXITKIXRNX-UHFFFAOYSA-N 0 3 336.432 2.064 20 10 EECDHN CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000126719079 463658490 /nfs/dbraw/zinc/65/84/90/463658490.db2.gz BSZXTFLIVATHFP-ZBFHGGJFSA-N 0 3 349.450 2.324 20 10 EECDHN CC(C)[C@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272382255 464586684 /nfs/dbraw/zinc/58/66/84/464586684.db2.gz WPVSGFOBTPTMAN-DCGLDWPTSA-N 0 3 337.439 2.039 20 10 EECDHN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000285773374 464690992 /nfs/dbraw/zinc/69/09/92/464690992.db2.gz DNPMKFZPFPMXKB-WBMJQRKESA-N 0 3 336.407 2.029 20 10 EECDHN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000285773374 464690996 /nfs/dbraw/zinc/69/09/96/464690996.db2.gz DNPMKFZPFPMXKB-WBMJQRKESA-N 0 3 336.407 2.029 20 10 EECDHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2Cc2ccc(N(C)C)cc2)O1 ZINC000282437723 464819249 /nfs/dbraw/zinc/81/92/49/464819249.db2.gz KUAOJSQLPSNOEE-NBMRYCAZSA-N 0 3 332.444 2.436 20 10 EECDHN COc1cc([O-])c(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc1OC ZINC000276137959 464821845 /nfs/dbraw/zinc/82/18/45/464821845.db2.gz ZWSUBOXHPTYRDP-UHFFFAOYSA-N 0 3 346.431 2.200 20 10 EECDHN COc1cc(Cl)cc(CN[C@H](C)C(=O)NCc2ccco2)c1O ZINC000184711415 465020783 /nfs/dbraw/zinc/02/07/83/465020783.db2.gz PPZUIIWIODDQSV-SNVBAGLBSA-N 0 3 338.791 2.442 20 10 EECDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H](C3CCOCC3)C2)cc1 ZINC000361955934 466437308 /nfs/dbraw/zinc/43/73/08/466437308.db2.gz ZMPIYXDRDIEBGP-SFHVURJKSA-N 0 3 345.487 2.117 20 10 EECDHN COCCN1CC[C@H](NC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000471916840 467981388 /nfs/dbraw/zinc/98/13/88/467981388.db2.gz DILYMUGZDJZMGH-HNNXBMFYSA-N 0 3 344.459 2.007 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192081226 528765491 /nfs/dbraw/zinc/76/54/91/528765491.db2.gz FVHUBJLOHYHQME-ZJUUUORDSA-N 0 3 329.238 2.487 20 10 EECDHN CN(C)c1ccc(CN(C)Cc2ccc(OCC(N)=O)cc2)cc1 ZINC000726066551 576232922 /nfs/dbraw/zinc/23/29/22/576232922.db2.gz DXRQZMZWLYHROE-UHFFFAOYSA-N 0 3 327.428 2.249 20 10 EECDHN COC1CCN(C(C)(C)CNC(=O)NCc2ccccc2O)CC1 ZINC000730908153 577067936 /nfs/dbraw/zinc/06/79/36/577067936.db2.gz QIWZUQZEOWWLKO-UHFFFAOYSA-N 0 3 335.448 2.081 20 10 EECDHN C[C@H]1CN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000731845701 577127358 /nfs/dbraw/zinc/12/73/58/577127358.db2.gz HVVKIIKWROXHRD-HNNXBMFYSA-N 0 3 332.444 2.384 20 10 EECDHN C[C@H]1CN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000731845701 577127360 /nfs/dbraw/zinc/12/73/60/577127360.db2.gz HVVKIIKWROXHRD-HNNXBMFYSA-N 0 3 332.444 2.384 20 10 EECDHN COCCNC(=O)C1CC[NH+](Cc2cc3c(cc2[O-])CCCC3)CC1 ZINC000768441415 577555574 /nfs/dbraw/zinc/55/55/74/577555574.db2.gz LJAUDLWZFYQVLF-UHFFFAOYSA-N 0 3 346.471 2.246 20 10 EECDHN CCOc1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)c([O-])c1 ZINC000758573640 577627534 /nfs/dbraw/zinc/62/75/34/577627534.db2.gz WYNNLOUPCCIEBV-UHFFFAOYSA-N 0 3 328.416 2.340 20 10 EECDHN COC(=O)c1cn([C@H]2CCCN(Cc3cc(C)cc(C)c3O)C2)nn1 ZINC000762465502 577701541 /nfs/dbraw/zinc/70/15/41/577701541.db2.gz ZACZHEJIGDQPCZ-HNNXBMFYSA-N 0 3 344.415 2.224 20 10 EECDHN C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cc(F)ccc1[O-] ZINC000756358934 577842713 /nfs/dbraw/zinc/84/27/13/577842713.db2.gz BBYOJIAFBCUMEV-LBPRGKRZSA-N 0 3 349.406 2.437 20 10 EECDHN CCOc1ccc(O)c(CNCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000757693668 577862574 /nfs/dbraw/zinc/86/25/74/577862574.db2.gz MJASIFTUVBTMSG-UHFFFAOYSA-N 0 3 347.436 2.411 20 10 EECDHN Cc1cc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891243356 676234425 /nfs/dbraw/zinc/23/44/25/676234425.db2.gz MZQZELCQXVJDGL-GOSISDBHSA-N 0 3 344.459 2.401 20 10 EECDHN CCc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000891245225 676238202 /nfs/dbraw/zinc/23/82/02/676238202.db2.gz AJBMLUXSGJXMTF-GOSISDBHSA-N 0 3 343.475 2.081 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC(C)(C)O2)N(C)C)cc1 ZINC000891247159 676241558 /nfs/dbraw/zinc/24/15/58/676241558.db2.gz GCHRJJDBCNVIHT-SJORKVTESA-N 0 3 333.476 2.429 20 10 EECDHN CCOC(=O)[C@@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250521 676245466 /nfs/dbraw/zinc/24/54/66/676245466.db2.gz WNJWNTXLAJDLBD-DLBZAZTESA-N 0 3 349.475 2.061 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1[O-] ZINC000840833761 676382834 /nfs/dbraw/zinc/38/28/34/676382834.db2.gz PLSCPRIHTHLCFW-ZJUUUORDSA-N 0 3 327.222 2.250 20 10 EECDHN CCOCCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891464124 676666946 /nfs/dbraw/zinc/66/69/46/676666946.db2.gz AMJVZYDIGMWFFT-QGZVFWFLSA-N 0 3 336.480 2.081 20 10 EECDHN CCn1cnc2c1CCN(Cc1ccc(N3CCN(C)CC3)cc1)C2 ZINC000897333220 687132065 /nfs/dbraw/zinc/13/20/65/687132065.db2.gz CZUPBQVQAOKMGW-UHFFFAOYSA-N 0 3 339.487 2.213 20 10 EECDHN CC[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899102979 693606774 /nfs/dbraw/zinc/60/67/74/693606774.db2.gz UAZKXRRBDXKBRS-QZTJIDSGSA-N 0 3 348.491 2.176 20 10 EECDHN CO[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899105199 693607453 /nfs/dbraw/zinc/60/74/53/693607453.db2.gz VGPKTHDSOOMZMR-MSOLQXFVSA-N 0 3 348.491 2.176 20 10 EECDHN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272766389 1193487860 /nfs/dbraw/zinc/48/78/60/1193487860.db2.gz PUIVNGLAUJHVCR-IAGOWNOFSA-N 0 3 332.444 2.302 20 10 EECDHN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272766389 1193487861 /nfs/dbraw/zinc/48/78/61/1193487861.db2.gz PUIVNGLAUJHVCR-IAGOWNOFSA-N 0 3 332.444 2.302 20 10 EECDHN Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c([O-])c1 ZINC000877025976 1199847599 /nfs/dbraw/zinc/84/75/99/1199847599.db2.gz BOKIFUYRIXJBEZ-HNNXBMFYSA-N 0 3 325.412 2.168 20 10 EECDHN COc1cc(NC(=O)CNCc2ccc(C)cc2O)cc(OC)c1 ZINC000877598961 1199977945 /nfs/dbraw/zinc/97/79/45/1199977945.db2.gz WYAXNABMWNXJSQ-UHFFFAOYSA-N 0 3 330.384 2.446 20 10 EECDHN CC(C)(C)N1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000877603064 1199978541 /nfs/dbraw/zinc/97/85/41/1199978541.db2.gz DECHMVZVHDDRBW-SFHVURJKSA-N 0 3 345.487 2.137 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(CC(N)=O)cc2)c1[O-] ZINC000811509869 1200117956 /nfs/dbraw/zinc/11/79/56/1200117956.db2.gz IRQMTXHTVNHWJW-UHFFFAOYSA-N 0 3 334.803 2.372 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@@]3(CCN([C@@H](C)C(C)=O)C3=O)C2)c([O-])c1 ZINC001274652968 1205117004 /nfs/dbraw/zinc/11/70/04/1205117004.db2.gz FFBQGRMCRIAKHD-VBKZILBWSA-N 0 3 344.455 2.357 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@@]3(CCN([C@@H](C)C(C)=O)C3=O)C2)c([O-])c1 ZINC001274652968 1205117008 /nfs/dbraw/zinc/11/70/08/1205117008.db2.gz FFBQGRMCRIAKHD-VBKZILBWSA-N 0 3 344.455 2.357 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC000779195741 1209302205 /nfs/dbraw/zinc/30/22/05/1209302205.db2.gz IKFXTUUHTLVGKV-LBPRGKRZSA-N 0 3 346.349 2.291 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC000779195741 1209302207 /nfs/dbraw/zinc/30/22/07/1209302207.db2.gz IKFXTUUHTLVGKV-LBPRGKRZSA-N 0 3 346.349 2.291 20 10 EECDHN Cn1ccnc1[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000796466921 1218472185 /nfs/dbraw/zinc/47/21/85/1218472185.db2.gz XGKOUGYAJRLXRA-IBGZPJMESA-N 0 3 339.487 2.413 20 10 EECDHN CO[C@H](C)CN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674497 1223328785 /nfs/dbraw/zinc/32/87/85/1223328785.db2.gz RWBWIJUMZKGGRO-DOMZBBRYSA-N 0 3 347.419 2.078 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCN2CCC2CC2)cc1 ZINC001039060578 1230272407 /nfs/dbraw/zinc/27/24/07/1230272407.db2.gz LMFFLAWWONHNML-HNNXBMFYSA-N 0 3 329.404 2.453 20 10 EECDHN C[C@@H]1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)N1C1CC1 ZINC000900184729 1234073377 /nfs/dbraw/zinc/07/33/77/1234073377.db2.gz FVVJPOKNCCUOBF-DYVFJYSZSA-N 0 3 344.459 2.170 20 10 EECDHN C[C@@H]1C[C@@H](NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c2ncnn21 ZINC000903449193 1240497277 /nfs/dbraw/zinc/49/72/77/1240497277.db2.gz WKUNGMBJYQFMDG-KBRIMQKVSA-N 0 3 328.464 2.242 20 10 EECDHN C[C@H]1NC[C@H]1Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001218394658 1297652053 /nfs/dbraw/zinc/65/20/53/1297652053.db2.gz YXZCNAKCVISMCD-YMTOWFKASA-N 0 3 338.319 2.109 20 10 EECDHN O=C([C@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2)N1CC(F)(C2CC2)C1 ZINC001277492972 1303666655 /nfs/dbraw/zinc/66/66/55/1303666655.db2.gz HDURJXHUCNWYSK-CQSZACIVSA-N 0 3 348.393 2.314 20 10 EECDHN O=C([C@H]1CC12CN(Cc1c(O)cccc1F)C2)N1CC(F)(C2CC2)C1 ZINC001277492972 1303666658 /nfs/dbraw/zinc/66/66/58/1303666658.db2.gz HDURJXHUCNWYSK-CQSZACIVSA-N 0 3 348.393 2.314 20 10 EECDHN Cc1cc(F)cc(CN2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c1O ZINC001277519888 1303800696 /nfs/dbraw/zinc/80/06/96/1303800696.db2.gz PPNJAFXCHHUXIQ-XJKSGUPXSA-N 0 3 335.423 2.464 20 10 EECDHN Cc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC001277566856 1303919528 /nfs/dbraw/zinc/91/95/28/1303919528.db2.gz BZGJHKPFJDPUJC-COCVIAQXSA-N 0 3 344.455 2.301 20 10 EECDHN CCOC(=O)c1c(CN(CC)CCC(N)=O)c2ccccc2n1C ZINC001233272424 1304412214 /nfs/dbraw/zinc/41/22/14/1304412214.db2.gz KYVXPNLXYMPWOG-UHFFFAOYSA-N 0 3 331.416 2.052 20 10 EECDHN COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233483628 1304477224 /nfs/dbraw/zinc/47/72/24/1304477224.db2.gz GPDHAIMSKMRWMS-UGSOOPFHSA-N 0 3 337.416 2.211 20 10 EECDHN O=C1CCC2(CCN(Cc3cc(O)c(O)cc3O)CC2)N1CC1CC1 ZINC001233483989 1304477381 /nfs/dbraw/zinc/47/73/81/1304477381.db2.gz UDVDEGFAZXLVPC-UHFFFAOYSA-N 0 3 346.427 2.170 20 10 EECDHN O=C1NCC[C@]12CC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233736417 1304573793 /nfs/dbraw/zinc/57/37/93/1304573793.db2.gz KMRJIFCMXAVYKS-CQSZACIVSA-N 0 3 330.306 2.003 20 10 EECDHN O=C1NCC[C@]12CC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233736417 1304573797 /nfs/dbraw/zinc/57/37/97/1304573797.db2.gz KMRJIFCMXAVYKS-CQSZACIVSA-N 0 3 330.306 2.003 20 10 EECDHN O=C1NC[C@@]2(CCCN(Cc3cccc(OC(F)(F)F)c3O)C2)O1 ZINC001233760331 1304581618 /nfs/dbraw/zinc/58/16/18/1304581618.db2.gz FFJZGWSIAZBRIG-CQSZACIVSA-N 0 3 346.305 2.365 20 10 EECDHN COc1cc(O)c(CN2CC[C@]3(C2)CC(F)(F)CO3)cc1OC ZINC001236757138 1305661408 /nfs/dbraw/zinc/66/14/08/1305661408.db2.gz GYFREHYDQPSUDR-OAHLLOKOSA-N 0 3 329.343 2.410 20 10 EECDHN CCOc1ccc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c([O-])c1 ZINC001237041779 1305774391 /nfs/dbraw/zinc/77/43/91/1305774391.db2.gz ULICCZBRXOUASO-UHFFFAOYSA-N 0 3 333.432 2.421 20 10 EECDHN Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4c(C)cccc4[O-])C[C@H]3O2)n1 ZINC001237487931 1305956514 /nfs/dbraw/zinc/95/65/14/1305956514.db2.gz GLFNNKFZKIRYKD-GRDNDAEWSA-N 0 3 329.400 2.224 20 10 EECDHN Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4c(C)cccc4[O-])C[C@H]3O2)n1 ZINC001237487931 1305956522 /nfs/dbraw/zinc/95/65/22/1305956522.db2.gz GLFNNKFZKIRYKD-GRDNDAEWSA-N 0 3 329.400 2.224 20 10 EECDHN COc1cc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N(C)C)C2)cc(O)c1O ZINC001278235701 1308881013 /nfs/dbraw/zinc/88/10/13/1308881013.db2.gz NUGNQHOFHBZAFQ-KUHUBIRLSA-N 0 3 348.443 2.187 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCCC(F)F)N(C)C)cc1 ZINC001122281873 1310255634 /nfs/dbraw/zinc/25/56/34/1310255634.db2.gz GYDJEUQURPNZTC-AWEZNQCLSA-N 0 3 328.407 2.310 20 10 EECDHN CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1C ZINC000832284823 1314669560 /nfs/dbraw/zinc/66/95/60/1314669560.db2.gz NASYOXMRCOXDHL-INIZCTEOSA-N 0 3 342.443 2.330 20 10 EECDHN CCN(CCn1ccnc1)Cc1ccc(N2CCOCC2)cc1F ZINC001140664800 1314925367 /nfs/dbraw/zinc/92/53/67/1314925367.db2.gz SIVCLPYYPSFAFV-UHFFFAOYSA-N 0 3 332.423 2.381 20 10 EECDHN COc1cc(O)c(CN2CCC(c3nc(C)no3)CC2)c(OC)c1 ZINC001141028958 1315020243 /nfs/dbraw/zinc/02/02/43/1315020243.db2.gz FGERKDLMEBWSJO-UHFFFAOYSA-N 0 3 333.388 2.480 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c(OC)c1 ZINC001141028861 1315020485 /nfs/dbraw/zinc/02/04/85/1315020485.db2.gz COSVQNXVIXDGQU-UHFFFAOYSA-N 0 3 330.384 2.111 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c(OC)c1 ZINC001141028861 1315020489 /nfs/dbraw/zinc/02/04/89/1315020489.db2.gz COSVQNXVIXDGQU-UHFFFAOYSA-N 0 3 330.384 2.111 20 10 EECDHN CN1C[C@]2(CC1=O)CCCCN2Cc1ccc2c(c1)OCCN2C ZINC001141142721 1315049024 /nfs/dbraw/zinc/04/90/24/1315049024.db2.gz YOOWOYQUQLFJJW-LJQANCHMSA-N 0 3 329.444 2.102 20 10 EECDHN [NH3+]CCCOC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843056481 1315831505 /nfs/dbraw/zinc/83/15/05/1315831505.db2.gz MHJNTFXRKBMMCB-UHFFFAOYSA-N 0 3 343.811 2.284 20 10 EECDHN CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000843428472 1315913866 /nfs/dbraw/zinc/91/38/66/1315913866.db2.gz YQZRZQGKXYIONB-IEBWSBKVSA-N 0 3 329.396 2.475 20 10 EECDHN NC(=O)COc1cccc(CNCc2ccc(N3CCCC3)cc2)c1 ZINC001308295003 1331582549 /nfs/dbraw/zinc/58/25/49/1331582549.db2.gz LGKJGCNHHBUCDM-UHFFFAOYSA-N 0 3 339.439 2.441 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CC4CCC3CC4)CC2)cc1 ZINC001319756612 1332759211 /nfs/dbraw/zinc/75/92/11/1332759211.db2.gz SWULLSXLFFJPGI-UHFFFAOYSA-N 0 3 343.471 2.218 20 10 EECDHN CC[C@H](C)C[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341882449 1337304439 /nfs/dbraw/zinc/30/44/39/1337304439.db2.gz OGZULVIMQMLFAJ-MPGHIAIKSA-N 0 3 333.476 2.401 20 10 EECDHN COC(=O)COc1ccc(N(C)Cc2cc(C(C)(C)N)no2)cc1 ZINC001578813572 1344305607 /nfs/dbraw/zinc/30/56/07/1344305607.db2.gz RRCMFYABHUBZCO-UHFFFAOYSA-N 0 3 333.388 2.057 20 10 EECDHN CCCCCNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839541688 1372909710 /nfs/dbraw/zinc/90/97/10/1372909710.db2.gz NBQYEPPGQYTNCV-INIZCTEOSA-N 0 3 333.476 2.480 20 10 EECDHN CC(C)OCCN(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755328827 1407327386 /nfs/dbraw/zinc/32/73/86/1407327386.db2.gz SQPABMWVMXMFNL-ZDUSSCGKSA-N 0 3 349.435 2.324 20 10 EECDHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[C@H](C)CC2)cc1C ZINC001755645346 1407700884 /nfs/dbraw/zinc/70/08/84/1407700884.db2.gz QIHIIDGNPHGSPH-ZTFGCOKTSA-N 0 3 348.487 2.397 20 10 EECDHN CCOc1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c([O-])c1 ZINC000816657207 784172257 /nfs/dbraw/zinc/17/22/57/784172257.db2.gz MMFCSCKOGKAHFD-SFHVURJKSA-N 0 3 335.444 2.448 20 10 EECDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)n1-c1cc(C)cc(C)c1 ZINC000818012996 785174068 /nfs/dbraw/zinc/17/40/68/785174068.db2.gz ZVWXLKWLLAVHRS-GOSISDBHSA-N 0 3 341.455 2.429 20 10 EECDHN CCOc1ccc(N2CCN([C@H]3CCN(CC)C(=O)C3)CC2)cc1 ZINC001172050176 796861186 /nfs/dbraw/zinc/86/11/86/796861186.db2.gz ADLOEIARMIFLAG-KRWDZBQOSA-N 0 3 331.460 2.218 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c1[O-] ZINC000808690505 812796389 /nfs/dbraw/zinc/79/63/89/812796389.db2.gz FAHYIUAONUVCTB-ZDUSSCGKSA-N 0 3 339.867 2.169 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(F)(F)C2)N(C)C)cc1 ZINC001527934545 1120916457 /nfs/dbraw/zinc/91/64/57/1120916457.db2.gz ZCKGZFXZXZOTNY-AWEZNQCLSA-N 0 3 326.391 2.016 20 10 EECDHN CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000296674287 465229465 /nfs/dbraw/zinc/22/94/65/465229465.db2.gz ZDCLUQXEMKQGFN-AWEZNQCLSA-N 0 3 340.395 2.257 20 10 EECDHN COC[C@]1(C)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000296723721 465231546 /nfs/dbraw/zinc/23/15/46/465231546.db2.gz NQDUFCMCQOIBOO-LJQANCHMSA-N 0 3 333.476 2.069 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000000228639 462550176 /nfs/dbraw/zinc/55/01/76/462550176.db2.gz ZWGCJKIISVIQFG-UONOGXRCSA-N 0 3 326.396 2.182 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000000228639 462550178 /nfs/dbraw/zinc/55/01/78/462550178.db2.gz ZWGCJKIISVIQFG-UONOGXRCSA-N 0 3 326.396 2.182 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3ccncc3)C2)cc1OC ZINC000160404262 463335874 /nfs/dbraw/zinc/33/58/74/463335874.db2.gz AKLCTPDTQWHWPL-OAHLLOKOSA-N 0 3 330.384 2.458 20 10 EECDHN CC[C@@H](N[C@@H](CC)c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC000165109855 463638855 /nfs/dbraw/zinc/63/88/55/463638855.db2.gz PIZQXQYDZKECKR-ZWKOTPCHSA-N 0 3 333.476 2.431 20 10 EECDHN COc1ccc(N2CCN(C(=O)C3CCN(C4CC4)CC3)CC2)cc1 ZINC000195267359 464027943 /nfs/dbraw/zinc/02/79/43/464027943.db2.gz LBJLBWPQPQODQQ-UHFFFAOYSA-N 0 3 343.471 2.218 20 10 EECDHN COCCN(C)c1ccc(CNCc2cccc(OC)c2O)cn1 ZINC000289387262 464076754 /nfs/dbraw/zinc/07/67/54/464076754.db2.gz DHDIGSOYYGMCTC-UHFFFAOYSA-N 0 3 331.416 2.168 20 10 EECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000289771590 464094126 /nfs/dbraw/zinc/09/41/26/464094126.db2.gz RGWQDXTYAXCSFU-WBVHZDCISA-N 0 3 334.460 2.476 20 10 EECDHN CCCOc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c([O-])c1 ZINC000289771590 464094130 /nfs/dbraw/zinc/09/41/30/464094130.db2.gz RGWQDXTYAXCSFU-WBVHZDCISA-N 0 3 334.460 2.476 20 10 EECDHN COc1cc(O)c(CNCc2ccc(NC(C)=O)nc2)cc1OC ZINC000279475094 464110261 /nfs/dbraw/zinc/11/02/61/464110261.db2.gz WEKWKPLIANSOFG-UHFFFAOYSA-N 0 3 331.372 2.053 20 10 EECDHN COc1c([O-])c(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490505 464120415 /nfs/dbraw/zinc/12/04/15/464120415.db2.gz ONMHBTICUBCLHW-JSGCOSHPSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490505 464120421 /nfs/dbraw/zinc/12/04/21/464120421.db2.gz ONMHBTICUBCLHW-JSGCOSHPSA-N 0 3 335.404 2.225 20 10 EECDHN C[C@@H](O)CN1CCN(Cc2cc(Br)ccc2O)[C@H](C)C1 ZINC000284455910 464198447 /nfs/dbraw/zinc/19/84/47/464198447.db2.gz USCANTPFUVJUBX-VXGBXAGGSA-N 0 3 343.265 2.042 20 10 EECDHN CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)n1 ZINC000180256643 464274391 /nfs/dbraw/zinc/27/43/91/464274391.db2.gz MSBPVJGQYOLQTL-CQSZACIVSA-N 0 3 346.431 2.191 20 10 EECDHN CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)n1 ZINC000180256643 464274396 /nfs/dbraw/zinc/27/43/96/464274396.db2.gz MSBPVJGQYOLQTL-CQSZACIVSA-N 0 3 346.431 2.191 20 10 EECDHN CCCCN(CCCO)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000271729945 464370449 /nfs/dbraw/zinc/37/04/49/464370449.db2.gz MUXGXPMRBZLZPK-UHFFFAOYSA-N 0 3 335.492 2.196 20 10 EECDHN CN(C)c1ccc(CNCCC(=O)NCc2cccnc2)cc1F ZINC000264934570 464504082 /nfs/dbraw/zinc/50/40/82/464504082.db2.gz CFSJJJGVOIPJPH-UHFFFAOYSA-N 0 3 330.407 2.083 20 10 EECDHN CN(C)c1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000285446000 464567697 /nfs/dbraw/zinc/56/76/97/464567697.db2.gz IOKRDASHQVVCHG-HNNXBMFYSA-N 0 3 331.382 2.105 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CC2([S@@](C)=O)CC2)c1[O-] ZINC000281825377 464600207 /nfs/dbraw/zinc/60/02/07/464600207.db2.gz RKXRWWGFHVLNMI-GOSISDBHSA-N 0 3 332.263 2.464 20 10 EECDHN COCCOCCOCCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000274438812 464745867 /nfs/dbraw/zinc/74/58/67/464745867.db2.gz POKGLQPRMLYKHC-UHFFFAOYSA-N 0 3 347.839 2.214 20 10 EECDHN CN(C)C1(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCC1 ZINC000275964653 464793078 /nfs/dbraw/zinc/79/30/78/464793078.db2.gz KZLIJPQIZKIVHJ-RMKNXTFCSA-N 0 3 343.471 2.137 20 10 EECDHN C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000282458120 464826839 /nfs/dbraw/zinc/82/68/39/464826839.db2.gz VLFKHMRWAQYDGR-ZLOXQWCVSA-N 0 3 340.464 2.224 20 10 EECDHN CC1CCN(c2ccc(CNC(=O)[C@@H](N)C3CCOCC3)cc2)CC1 ZINC000282605870 464881921 /nfs/dbraw/zinc/88/19/21/464881921.db2.gz KLHDZWWOOSRXEL-IBGZPJMESA-N 0 3 345.487 2.293 20 10 EECDHN CN1CCC[C@@H]1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000299233364 465658062 /nfs/dbraw/zinc/65/80/62/465658062.db2.gz FMVSWFQMNOOZMD-IAGOWNOFSA-N 0 3 347.459 2.177 20 10 EECDHN CN(C)c1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000285446001 490722312 /nfs/dbraw/zinc/72/23/12/490722312.db2.gz IOKRDASHQVVCHG-OAHLLOKOSA-N 0 3 331.382 2.105 20 10 EECDHN C[C@@H]([NH2+]CCOCCN(C)C)c1ccc(Br)cc1[O-] ZINC000774376153 577397267 /nfs/dbraw/zinc/39/72/67/577397267.db2.gz FKUMZVMAKKAVET-LLVKDONJSA-N 0 3 331.254 2.384 20 10 EECDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000757770942 577863888 /nfs/dbraw/zinc/86/38/88/577863888.db2.gz GKTNAWOINUMCAM-MQIPJXDCSA-N 0 3 333.432 2.244 20 10 EECDHN CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc(C(C)C)c(C)cc1O ZINC000749967573 577985059 /nfs/dbraw/zinc/98/50/59/577985059.db2.gz AJGUPNASLVQLAR-HNNXBMFYSA-N 0 3 340.489 2.338 20 10 EECDHN CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)C[C@@H]1O ZINC000770380725 578156793 /nfs/dbraw/zinc/15/67/93/578156793.db2.gz NPCMPFVUKQVAGW-CABZTGNLSA-N 0 3 330.222 2.366 20 10 EECDHN COc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1C ZINC000821817931 599423312 /nfs/dbraw/zinc/42/33/12/599423312.db2.gz COTNMOJNQBNREC-UHFFFAOYSA-N 0 3 339.399 2.482 20 10 EECDHN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826210066 608500351 /nfs/dbraw/zinc/50/03/51/608500351.db2.gz CKPWUVKKTYNAFC-NSHDSACASA-N 0 3 325.372 2.432 20 10 EECDHN CCC1(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)COC1 ZINC000891243282 676234427 /nfs/dbraw/zinc/23/44/27/676234427.db2.gz KQLZPHXUJAVVCP-KRWDZBQOSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H](F)C2)N(C)C)cc1 ZINC000899099013 693611567 /nfs/dbraw/zinc/61/15/67/693611567.db2.gz UMCPNIQOQDZEIX-WBVHZDCISA-N 0 3 336.455 2.499 20 10 EECDHN O=C(CCc1ccc(O)c(O)c1)N1CC2(C1)CN(C1CCCC1)C2 ZINC001271832717 1186533544 /nfs/dbraw/zinc/53/35/44/1186533544.db2.gz CPJZHBIDZGOENK-UHFFFAOYSA-N 0 3 330.428 2.117 20 10 EECDHN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(OC)cc1[O-] ZINC001272625056 1190937649 /nfs/dbraw/zinc/93/76/49/1190937649.db2.gz GAHFPMHOXZUDAP-IAGOWNOFSA-N 0 3 348.443 2.003 20 10 EECDHN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(OC)cc1[O-] ZINC001272625056 1190937652 /nfs/dbraw/zinc/93/76/52/1190937652.db2.gz GAHFPMHOXZUDAP-IAGOWNOFSA-N 0 3 348.443 2.003 20 10 EECDHN COC[C@H](C)N1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699884 1195091745 /nfs/dbraw/zinc/09/17/45/1195091745.db2.gz QWJPTKKUNUNPCS-SWLSCSKDSA-N 0 3 347.419 2.030 20 10 EECDHN CC(C)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCN(C)CC1 ZINC000113319833 1195204969 /nfs/dbraw/zinc/20/49/69/1195204969.db2.gz FMYZIWJZABTVLK-INIZCTEOSA-N 0 3 325.884 2.407 20 10 EECDHN COCCN1CCCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034545657 1196374073 /nfs/dbraw/zinc/37/40/73/1196374073.db2.gz YYPFHCVBOSSSTR-HNNXBMFYSA-N 0 3 347.419 2.080 20 10 EECDHN Cc1ccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c(O)c1 ZINC000876753781 1199757513 /nfs/dbraw/zinc/75/75/13/1199757513.db2.gz OJHHSTFSRHIMIW-UHFFFAOYSA-N 0 3 325.412 2.122 20 10 EECDHN O=C(NC1CC1)OC[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000811511811 1200119285 /nfs/dbraw/zinc/11/92/85/1200119285.db2.gz VFPQVIYHSGOIPT-CQSZACIVSA-N 0 3 348.399 2.364 20 10 EECDHN Fc1cc(CN2CCN(CC3CC3)CC2)ccc1N1CCOCC1 ZINC000130661318 1201991721 /nfs/dbraw/zinc/99/17/21/1201991721.db2.gz OJWUILJCKQAJIL-UHFFFAOYSA-N 0 3 333.451 2.190 20 10 EECDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cc2n(n1)CCC2 ZINC000883291128 1202041630 /nfs/dbraw/zinc/04/16/30/1202041630.db2.gz SZBHXFOMNGEDCI-INIZCTEOSA-N 0 3 339.487 2.432 20 10 EECDHN CO[C@@H](CN)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000884305544 1202288745 /nfs/dbraw/zinc/28/87/45/1202288745.db2.gz ZLGCCYBRDZBWRX-KDOFPFPSSA-N 0 3 328.412 2.456 20 10 EECDHN CN(C)c1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1F ZINC000827901918 1248966348 /nfs/dbraw/zinc/96/63/48/1248966348.db2.gz WLWMKZMJUZVLGO-MRXNPFEDSA-N 0 3 327.403 2.395 20 10 EECDHN COc1cc(CNCCS(=O)(=O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850326613 1277173532 /nfs/dbraw/zinc/17/35/32/1277173532.db2.gz SMRSWFNQEGDRCR-UHFFFAOYSA-N 0 3 341.473 2.365 20 10 EECDHN CCc1ccc(CN2CC3(CN(Cc4nccn4CC)C3)C2)c(O)c1 ZINC001276804932 1298005291 /nfs/dbraw/zinc/00/52/91/1298005291.db2.gz OESBYUJYWZRYRZ-UHFFFAOYSA-N 0 3 340.471 2.489 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3C[C@@H](C)O[C@H](C)C3)C2)c([O-])c1 ZINC001277567916 1303921354 /nfs/dbraw/zinc/92/13/54/1303921354.db2.gz JBNPNNLESCTCBM-MXHNKVEKSA-N 0 3 344.455 2.158 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3C[C@@H](C)O[C@H](C)C3)C2)c([O-])c1 ZINC001277567916 1303921356 /nfs/dbraw/zinc/92/13/56/1303921356.db2.gz JBNPNNLESCTCBM-MXHNKVEKSA-N 0 3 344.455 2.158 20 10 EECDHN COCC(=O)NC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236839400 1305694962 /nfs/dbraw/zinc/69/49/62/1305694962.db2.gz GACQWCYCDLMRAA-UHFFFAOYSA-N 0 3 328.412 2.272 20 10 EECDHN CC(C)c1ccc(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c(O)c1 ZINC001237045901 1305777610 /nfs/dbraw/zinc/77/76/10/1305777610.db2.gz MQPVPRSHXCAOKL-ZFWWWQNUSA-N 0 3 333.350 2.376 20 10 EECDHN NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237051372 1305779473 /nfs/dbraw/zinc/77/94/73/1305779473.db2.gz LFJBJUJRCKBYQD-LLVKDONJSA-N 0 3 332.322 2.031 20 10 EECDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237051372 1305779479 /nfs/dbraw/zinc/77/94/79/1305779479.db2.gz LFJBJUJRCKBYQD-LLVKDONJSA-N 0 3 332.322 2.031 20 10 EECDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3[O-])C[C@H]21 ZINC001237051144 1305779546 /nfs/dbraw/zinc/77/95/46/1305779546.db2.gz JACYOHMWYNNPEW-ZIFCJYIRSA-N 0 3 346.471 2.489 20 10 EECDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3[O-])C[C@H]21 ZINC001237051144 1305779553 /nfs/dbraw/zinc/77/95/53/1305779553.db2.gz JACYOHMWYNNPEW-ZIFCJYIRSA-N 0 3 346.471 2.489 20 10 EECDHN CC(=O)N[C@H]1CCCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237055628 1305781208 /nfs/dbraw/zinc/78/12/08/1305781208.db2.gz HMDFUAYOWLKPSK-ZDUSSCGKSA-N 0 3 346.349 2.434 20 10 EECDHN CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237055628 1305781214 /nfs/dbraw/zinc/78/12/14/1305781214.db2.gz HMDFUAYOWLKPSK-ZDUSSCGKSA-N 0 3 346.349 2.434 20 10 EECDHN CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237055628 1305781219 /nfs/dbraw/zinc/78/12/19/1305781219.db2.gz HMDFUAYOWLKPSK-ZDUSSCGKSA-N 0 3 346.349 2.434 20 10 EECDHN Cc1cc(Cl)cc(C[NH+]2CCC(N3CCOCC3=O)CC2)c1[O-] ZINC001237690405 1306048866 /nfs/dbraw/zinc/04/88/66/1306048866.db2.gz XHKMTTDNAIUALZ-UHFFFAOYSA-N 0 3 338.835 2.177 20 10 EECDHN Oc1ccc(F)cc1CN1CCc2nnc(Cn3cccc3)n2CC1 ZINC001140062684 1314806454 /nfs/dbraw/zinc/80/64/54/1314806454.db2.gz DEYCMXWPJBUWHV-UHFFFAOYSA-N 0 3 341.390 2.031 20 10 EECDHN O=C(NC1CCC1)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]2OCC[C@H]21 ZINC001140062829 1314806804 /nfs/dbraw/zinc/80/68/04/1314806804.db2.gz GAIDLYMLCLTUAE-XYJFISCASA-N 0 3 348.418 2.037 20 10 EECDHN O=C(NC1CCC1)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]2OCC[C@H]21 ZINC001140062829 1314806810 /nfs/dbraw/zinc/80/68/10/1314806810.db2.gz GAIDLYMLCLTUAE-XYJFISCASA-N 0 3 348.418 2.037 20 10 EECDHN CCN1CCN(c2ccc(CN3CCC(=O)C(F)(F)C3)cc2)CC1 ZINC001140306213 1314862846 /nfs/dbraw/zinc/86/28/46/1314862846.db2.gz PKDHFXSSSGWCBS-UHFFFAOYSA-N 0 3 337.414 2.239 20 10 EECDHN Fc1cc(N2CCOCC2)ccc1CN1CCN(CC2CC2)CC1 ZINC001140661511 1314923788 /nfs/dbraw/zinc/92/37/88/1314923788.db2.gz HHTHDFSTLAOFFW-UHFFFAOYSA-N 0 3 333.451 2.190 20 10 EECDHN COc1cc(O)c(CN2CCC(N3CCCCC3=O)CC2)c(OC)c1 ZINC001141029573 1315020946 /nfs/dbraw/zinc/02/09/46/1315020946.db2.gz WDZYAHKTRRFVQW-UHFFFAOYSA-N 0 3 348.443 2.386 20 10 EECDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]21 ZINC001141078316 1315038142 /nfs/dbraw/zinc/03/81/42/1315038142.db2.gz RDQYRUPTLOIZDS-PIIMJCKOSA-N 0 3 326.440 2.236 20 10 EECDHN CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840159962 1315313496 /nfs/dbraw/zinc/31/34/96/1315313496.db2.gz NHZGMWPYCACBJB-KXBFYZLASA-N 0 3 349.427 2.372 20 10 EECDHN CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840159962 1315313501 /nfs/dbraw/zinc/31/35/01/1315313501.db2.gz NHZGMWPYCACBJB-KXBFYZLASA-N 0 3 349.427 2.372 20 10 EECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000840935485 1315440596 /nfs/dbraw/zinc/44/05/96/1315440596.db2.gz QWEBKVGKHAWNSF-RDTXWAMCSA-N 0 3 341.459 2.078 20 10 EECDHN COc1ccc(N2CCC(NC(=O)N3CCNC(C)(C)C3)CC2)cc1 ZINC000841778504 1315611415 /nfs/dbraw/zinc/61/14/15/1315611415.db2.gz CJFCIQMEWRPCLK-UHFFFAOYSA-N 0 3 346.475 2.057 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H]4CNC(=O)[C@H]4C3)ccc2O1 ZINC001249252645 1317036385 /nfs/dbraw/zinc/03/63/85/1317036385.db2.gz OVGJDFLAHIYKHI-WFASDCNBSA-N 0 3 328.412 2.144 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H]4CNC(=O)[C@H]4C3)ccc2O1 ZINC001249252645 1317036396 /nfs/dbraw/zinc/03/63/96/1317036396.db2.gz OVGJDFLAHIYKHI-WFASDCNBSA-N 0 3 328.412 2.144 20 10 EECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253142513 1317779578 /nfs/dbraw/zinc/77/95/78/1317779578.db2.gz BTRAOJODLYYHDU-GOSISDBHSA-N 0 3 345.439 2.189 20 10 EECDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253142513 1317779584 /nfs/dbraw/zinc/77/95/84/1317779584.db2.gz BTRAOJODLYYHDU-GOSISDBHSA-N 0 3 345.439 2.189 20 10 EECDHN Oc1ccc(Br)cc1CNc1ncc2c(n1)CCNC2 ZINC001160012656 1320048596 /nfs/dbraw/zinc/04/85/96/1320048596.db2.gz RZHWVXCPBRJTQM-UHFFFAOYSA-N 0 3 335.205 2.203 20 10 EECDHN CN(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552348 1321910736 /nfs/dbraw/zinc/91/07/36/1321910736.db2.gz KTODAPDHYPPTPL-QGZVFWFLSA-N 0 3 347.459 2.035 20 10 EECDHN COc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c([O-])c1 ZINC001203623581 1321925677 /nfs/dbraw/zinc/92/56/77/1321925677.db2.gz ULOIDBDWYJPLNQ-CALCHBBNSA-N 0 3 339.439 2.360 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c([O-])c1 ZINC001203623581 1321925679 /nfs/dbraw/zinc/92/56/79/1321925679.db2.gz ULOIDBDWYJPLNQ-CALCHBBNSA-N 0 3 339.439 2.360 20 10 EECDHN O=C1C[C@@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)CN1c1ccccn1 ZINC001204275655 1322100897 /nfs/dbraw/zinc/10/08/97/1322100897.db2.gz XTQLNQAHXYYAKA-LJQANCHMSA-N 0 3 339.395 2.122 20 10 EECDHN O=C1C[C@@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)CN1c1ccccn1 ZINC001204275655 1322100904 /nfs/dbraw/zinc/10/09/04/1322100904.db2.gz XTQLNQAHXYYAKA-LJQANCHMSA-N 0 3 339.395 2.122 20 10 EECDHN NC(=O)c1ccc(OC2CC[NH+](Cc3ccc(O)cc3[O-])CC2)cc1 ZINC001204281053 1322102926 /nfs/dbraw/zinc/10/29/26/1322102926.db2.gz OQGRDYPRVKDLAG-UHFFFAOYSA-N 0 3 342.395 2.240 20 10 EECDHN CCOc1ccc(N2CCN(C[C@@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC001208977888 1324746324 /nfs/dbraw/zinc/74/63/24/1324746324.db2.gz WYCYMCCBYLSTOE-SFHVURJKSA-N 0 3 345.487 2.466 20 10 EECDHN C[N@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1ccccc1[O-] ZINC000781336622 1371213839 /nfs/dbraw/zinc/21/38/39/1371213839.db2.gz GRPPYOKKDJLISI-UHFFFAOYSA-N 0 3 326.396 2.213 20 10 EECDHN C[N@@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1ccccc1[O-] ZINC000781336622 1371213846 /nfs/dbraw/zinc/21/38/46/1371213846.db2.gz GRPPYOKKDJLISI-UHFFFAOYSA-N 0 3 326.396 2.213 20 10 EECDHN CCN1C[C@@H]2C[NH+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C[C@H]2C1 ZINC001139130018 1372463674 /nfs/dbraw/zinc/46/36/74/1372463674.db2.gz NREDZHGESLMADI-ZIAGYGMSSA-N 0 3 328.412 2.191 20 10 EECDHN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnn2CCN(C)C)c1 ZINC000836698887 1372742523 /nfs/dbraw/zinc/74/25/23/1372742523.db2.gz BIKYZJPGJBRJEG-GFCCVEGCSA-N 0 3 347.419 2.042 20 10 EECDHN CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)CCOC1CCC1 ZINC001753075458 1406665652 /nfs/dbraw/zinc/66/56/52/1406665652.db2.gz YODSUTOQSRAEKW-UHFFFAOYSA-N 0 3 347.419 2.080 20 10 EECDHN COc1ccc(CN[C@H](CO)CNC(=O)c2ccc(C)cc2)cc1C ZINC001755646042 1407700861 /nfs/dbraw/zinc/70/08/61/1407700861.db2.gz ZQJHLMPPGHRWOB-SFHVURJKSA-N 0 3 342.439 2.193 20 10 EECDHN CCCN(C)CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089838521 777491439 /nfs/dbraw/zinc/49/14/39/777491439.db2.gz QNBCCXMQJAXDDV-UHFFFAOYSA-N 0 3 334.439 2.205 20 10 EECDHN CCN1CCN([C@H](C)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816535459 784104195 /nfs/dbraw/zinc/10/41/95/784104195.db2.gz PCNQOIPJEDHRSO-GFCCVEGCSA-N 0 3 329.847 2.300 20 10 EECDHN COc1ccc(N2CC[C@H](CN[C@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000818115867 785189470 /nfs/dbraw/zinc/18/94/70/785189470.db2.gz DBCYWDNCSBNCCF-BEFAXECRSA-N 0 3 339.439 2.338 20 10 EECDHN CC[C@@H](CN1CCOCC1)NCc1cc(F)c(N(C)C)cc1F ZINC000922592940 801446782 /nfs/dbraw/zinc/44/67/82/801446782.db2.gz MAVVUBRIKBRVGU-AWEZNQCLSA-N 0 3 327.419 2.231 20 10 EECDHN COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])nn1 ZINC000808719183 812819392 /nfs/dbraw/zinc/81/93/92/812819392.db2.gz ZLTQRENJLUISGQ-JTQLQIEISA-N 0 3 338.795 2.083 20 10 EECDHN Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000090171224 237024476 /nfs/dbraw/zinc/02/44/76/237024476.db2.gz AOQXXAJKLGHAPJ-PBHICJAKSA-N 0 3 341.459 2.251 20 10 EECDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCOCC3)nc1)CC2 ZINC000296214716 465118504 /nfs/dbraw/zinc/11/85/04/465118504.db2.gz ZOJNXPQMNHYKPQ-MRXNPFEDSA-N 0 3 325.412 2.401 20 10 EECDHN CC(C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000046902784 462718152 /nfs/dbraw/zinc/71/81/52/462718152.db2.gz DMBDWOLNBFCWHN-AWEZNQCLSA-N 0 3 338.473 2.068 20 10 EECDHN Cc1cc(C)n(CCN(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000069219763 463219244 /nfs/dbraw/zinc/21/92/44/463219244.db2.gz GHDFTHBGUHSZJQ-UHFFFAOYSA-N 0 3 328.460 2.469 20 10 EECDHN Cc1cc(C(=O)NC[C@](C)(O)CN(C)C)c(C)n1-c1ccccc1 ZINC000152501927 463698521 /nfs/dbraw/zinc/69/85/21/463698521.db2.gz BRQOJHOAOGIBQU-IBGZPJMESA-N 0 3 329.444 2.137 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)OCO2 ZINC000289946008 464101972 /nfs/dbraw/zinc/10/19/72/464101972.db2.gz UOLBVMZOEOKJIK-BEFAXECRSA-N 0 3 327.380 2.377 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](C)[C@@H]1C)cc2=O ZINC000172864146 464157709 /nfs/dbraw/zinc/15/77/09/464157709.db2.gz RPFUXUIZOGQEAO-NEPJUHHUSA-N 0 3 332.404 2.232 20 10 EECDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(N3CCCC3)cc2)C1(C)C ZINC000188093760 464197561 /nfs/dbraw/zinc/19/75/61/464197561.db2.gz NULRDDIJIMCGMS-PXNSSMCTSA-N 0 3 345.487 2.436 20 10 EECDHN C[C@@H]1CN(CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC000180850308 464407031 /nfs/dbraw/zinc/40/70/31/464407031.db2.gz IAIZWBPFLXHUPI-OCESRQBRSA-N 0 3 348.443 2.117 20 10 EECDHN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000285773371 464690482 /nfs/dbraw/zinc/69/04/82/464690482.db2.gz DNPMKFZPFPMXKB-MLGOLLRUSA-N 0 3 336.407 2.029 20 10 EECDHN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000285773371 464690487 /nfs/dbraw/zinc/69/04/87/464690487.db2.gz DNPMKFZPFPMXKB-MLGOLLRUSA-N 0 3 336.407 2.029 20 10 EECDHN CNC(=O)C[C@@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000298717076 465481756 /nfs/dbraw/zinc/48/17/56/465481756.db2.gz YHZLKHHULGTSQL-MCIONIFRSA-N 0 3 337.439 2.054 20 10 EECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)CN1CCc3ccccc3C1)CC2 ZINC000295904053 465000788 /nfs/dbraw/zinc/00/07/88/465000788.db2.gz IUVVLVXANIXWOV-RTBURBONSA-N 0 3 338.451 2.388 20 10 EECDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000299282795 465681140 /nfs/dbraw/zinc/68/11/40/465681140.db2.gz OWWCGXBKQFDPIX-JKSUJKDBSA-N 0 3 334.460 2.372 20 10 EECDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000299282795 465681147 /nfs/dbraw/zinc/68/11/47/465681147.db2.gz OWWCGXBKQFDPIX-JKSUJKDBSA-N 0 3 334.460 2.372 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000374389676 467044835 /nfs/dbraw/zinc/04/48/35/467044835.db2.gz GJGJGQKIEAZIJR-ROUUACIJSA-N 0 3 345.487 2.069 20 10 EECDHN CCOC(=O)N(C)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000726967274 576362154 /nfs/dbraw/zinc/36/21/54/576362154.db2.gz ZOAIAJDYBTZXRF-UHFFFAOYSA-N 0 3 336.388 2.174 20 10 EECDHN CCOc1cccc(CNCC(=O)N2CCc3ccccc32)c1O ZINC000729684921 576672674 /nfs/dbraw/zinc/67/26/74/576672674.db2.gz LIHHQUHMJNOLEF-UHFFFAOYSA-N 0 3 326.396 2.470 20 10 EECDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000774482442 577400652 /nfs/dbraw/zinc/40/06/52/577400652.db2.gz KRFOTIZWBSKZTJ-QWHCGFSZSA-N 0 3 334.464 2.416 20 10 EECDHN CNC(=O)CCCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765402592 577500276 /nfs/dbraw/zinc/50/02/76/577500276.db2.gz CRAALTVOWRYRFA-ZDUSSCGKSA-N 0 3 339.867 2.353 20 10 EECDHN O=C(NCCCSc1nccs1)N[C@@H]1CCN(C2CC2)C1 ZINC000759582644 577645989 /nfs/dbraw/zinc/64/59/89/577645989.db2.gz VXAVCWRBANMTED-LLVKDONJSA-N 0 3 326.491 2.161 20 10 EECDHN O=C(NC1CC1)N[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000760548264 577665368 /nfs/dbraw/zinc/66/53/68/577665368.db2.gz DUSPSJALTXCXIZ-QGZVFWFLSA-N 0 3 329.444 2.307 20 10 EECDHN CN1CC[C@@](O)(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000762790751 577707827 /nfs/dbraw/zinc/70/78/27/577707827.db2.gz FNIKHTBBRWEDJL-HXUWFJFHSA-N 0 3 342.439 2.127 20 10 EECDHN C[C@@H](NC[C@H]1CC2(CC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000763734798 577725495 /nfs/dbraw/zinc/72/54/95/577725495.db2.gz NVFNYFBXHPIMRH-RHSMWYFYSA-N 0 3 330.428 2.270 20 10 EECDHN CCOc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c([O-])c1 ZINC000754084740 577799965 /nfs/dbraw/zinc/79/99/65/577799965.db2.gz ZRBOTPCMOZFEBI-SJLPKXTDSA-N 0 3 331.412 2.365 20 10 EECDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000757775568 577863852 /nfs/dbraw/zinc/86/38/52/577863852.db2.gz KBLZMNAKUKFZBO-KDOFPFPSSA-N 0 3 330.476 2.377 20 10 EECDHN Cc1ncccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251561 676247947 /nfs/dbraw/zinc/24/79/47/676247947.db2.gz GXRSQZJQYPSZMA-GOSISDBHSA-N 0 3 326.444 2.489 20 10 EECDHN C[C@H]1CCCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051228112 676682707 /nfs/dbraw/zinc/68/27/07/676682707.db2.gz HMUKXYVLZDUCGV-HNNXBMFYSA-N 0 3 349.450 2.153 20 10 EECDHN COc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)c(O)c1OC ZINC000892209256 678256606 /nfs/dbraw/zinc/25/66/06/678256606.db2.gz AHFBNJSRNZHQQL-GXTWGEPZSA-N 0 3 325.430 2.116 20 10 EECDHN COC(=O)c1c(CN[C@H](C)Cn2cccn2)c2cc(F)ccc2n1C ZINC000894171802 682105656 /nfs/dbraw/zinc/10/56/56/682105656.db2.gz ABUGVNUXYKDFEC-GFCCVEGCSA-N 0 3 344.390 2.479 20 10 EECDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1cc2c(cc1O)OCO2 ZINC000271121122 683510615 /nfs/dbraw/zinc/51/06/15/683510615.db2.gz YGOPHGFNTFJMOI-UHFFFAOYSA-N 0 3 338.404 2.420 20 10 EECDHN CO[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000895055461 683563638 /nfs/dbraw/zinc/56/36/38/683563638.db2.gz QMESHNHTZKSVLA-QZTJIDSGSA-N 0 3 348.491 2.080 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CCO[C@H]2CCOC2)c1[O-] ZINC000897202088 686239228 /nfs/dbraw/zinc/23/92/28/686239228.db2.gz PEFHMMWOLSUCON-ZDUSSCGKSA-N 0 3 330.222 2.358 20 10 EECDHN CO[C@H](C)CN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767975 692274694 /nfs/dbraw/zinc/27/46/94/692274694.db2.gz RPMCHPRMUUPQHJ-CYBMUJFWSA-N 0 3 347.419 2.032 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H](F)C2)N(C)C)cc1 ZINC000899099009 693611499 /nfs/dbraw/zinc/61/14/99/693611499.db2.gz UMCPNIQOQDZEIX-NVXWUHKLSA-N 0 3 336.455 2.499 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c(OC)c1 ZINC001272815794 1193557583 /nfs/dbraw/zinc/55/75/83/1193557583.db2.gz RRPWBSSCVTVPIP-LJQANCHMSA-N 0 3 348.443 2.244 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c(OC)c1 ZINC001272815794 1193557585 /nfs/dbraw/zinc/55/75/85/1193557585.db2.gz RRPWBSSCVTVPIP-LJQANCHMSA-N 0 3 348.443 2.244 20 10 EECDHN O=C(NCC(F)F)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001272988054 1194296452 /nfs/dbraw/zinc/29/64/52/1194296452.db2.gz NPAYURUPOWTGPK-CYBMUJFWSA-N 0 3 340.370 2.081 20 10 EECDHN CCCOc1ccc(CNCC(C)(C)NS(C)(=O)=O)cc1C ZINC000873049003 1198483972 /nfs/dbraw/zinc/48/39/72/1198483972.db2.gz VJCLKUDCZCPYRP-UHFFFAOYSA-N 0 3 328.478 2.201 20 10 EECDHN O[C@H]1Cc2ccccc2[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876967704 1199832501 /nfs/dbraw/zinc/83/25/01/1199832501.db2.gz LMRQNHGOHCVAOM-LEWJYISDSA-N 0 3 338.451 2.396 20 10 EECDHN OC[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC000877540844 1199960473 /nfs/dbraw/zinc/96/04/73/1199960473.db2.gz CMEGWSYEQHNCML-HNNXBMFYSA-N 0 3 340.414 2.097 20 10 EECDHN CCCCN1CC[C@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836044 1205183818 /nfs/dbraw/zinc/18/38/18/1205183818.db2.gz DAKYABZFBNUHGS-SFHVURJKSA-N 0 3 334.416 2.028 20 10 EECDHN O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccccc2[O-])[nH]1 ZINC001275267806 1205294539 /nfs/dbraw/zinc/29/45/39/1205294539.db2.gz XNYRVRKJMCINEJ-IRXDYDNUSA-N 0 3 325.412 2.342 20 10 EECDHN O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccccc2[O-])[nH]1 ZINC001275267806 1205294540 /nfs/dbraw/zinc/29/45/40/1205294540.db2.gz XNYRVRKJMCINEJ-IRXDYDNUSA-N 0 3 325.412 2.342 20 10 EECDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924575652 1205998517 /nfs/dbraw/zinc/99/85/17/1205998517.db2.gz ZBFDZBVYCWODKY-LBPRGKRZSA-N 0 3 338.411 2.133 20 10 EECDHN COC[C@H](C)N1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009673270 1223328616 /nfs/dbraw/zinc/32/86/16/1223328616.db2.gz OVBPOYGQBUVLBP-WFASDCNBSA-N 0 3 347.419 2.078 20 10 EECDHN CO[C@@H](C)CN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674507 1223328795 /nfs/dbraw/zinc/32/87/95/1223328795.db2.gz RWBWIJUMZKGGRO-SWLSCSKDSA-N 0 3 347.419 2.078 20 10 EECDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903233343 1240060000 /nfs/dbraw/zinc/06/00/00/1240060000.db2.gz GZBVCPDDLMQLSA-RBSFLKMASA-N 0 3 338.473 2.077 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1[O-] ZINC000827634594 1248516586 /nfs/dbraw/zinc/51/65/86/1248516586.db2.gz UYUMHPQPURHDNP-GFCCVEGCSA-N 0 3 338.835 2.499 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c1[O-] ZINC000827634594 1248516590 /nfs/dbraw/zinc/51/65/90/1248516590.db2.gz UYUMHPQPURHDNP-GFCCVEGCSA-N 0 3 338.835 2.499 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]CCc2nnc3ccccn32)c1[O-] ZINC000393401507 1253918261 /nfs/dbraw/zinc/91/82/61/1253918261.db2.gz YGZCDXMDHCQZNK-UHFFFAOYSA-N 0 3 332.791 2.429 20 10 EECDHN C[C@@H]1CN(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000851841081 1291878415 /nfs/dbraw/zinc/87/84/15/1291878415.db2.gz MTOCZTBACKAPRX-LMMKCTJWSA-N 0 3 348.487 2.482 20 10 EECDHN C[C@@H]1CN(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000851841081 1291878427 /nfs/dbraw/zinc/87/84/27/1291878427.db2.gz MTOCZTBACKAPRX-LMMKCTJWSA-N 0 3 348.487 2.482 20 10 EECDHN Cc1cccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)c1O ZINC001231591235 1303858331 /nfs/dbraw/zinc/85/83/31/1303858331.db2.gz WZRGDTIWEFQQRH-LJQANCHMSA-N 0 3 326.440 2.379 20 10 EECDHN CO[C@@H]1CN(Cc2cccc(C)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001231595231 1303860555 /nfs/dbraw/zinc/86/05/55/1303860555.db2.gz ROCDHYNKPMQXKY-LSDHHAIUSA-N 0 3 336.432 2.425 20 10 EECDHN CCN1C[C@@H]2C[C@H]1CN2Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232409378 1304111399 /nfs/dbraw/zinc/11/13/99/1304111399.db2.gz DCQHWBYRVWZSBY-KBPBESRZSA-N 0 3 327.428 2.243 20 10 EECDHN CC(=O)N1CCCC[C@@]12CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233485066 1304477009 /nfs/dbraw/zinc/47/70/09/1304477009.db2.gz HSHHMVHXZJHGMS-SFHVURJKSA-N 0 3 334.416 2.170 20 10 EECDHN COc1cc([O-])c(CN2C[C@H](C)[NH2+]C[C@H]2C)cc1Br ZINC001235450325 1305236406 /nfs/dbraw/zinc/23/64/06/1305236406.db2.gz QUQYZQSDXCZMTQ-VHSXEESVSA-N 0 3 329.238 2.346 20 10 EECDHN CC(C)(C)c1ccc(CN2CCN(CC(N)=O)C(C)(C)C2)c(O)c1 ZINC001235681097 1305325302 /nfs/dbraw/zinc/32/53/02/1305325302.db2.gz YCLPIHFWDZGGRD-UHFFFAOYSA-N 0 3 333.476 2.071 20 10 EECDHN CCN(Cc1ccc(I)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001235971166 1305461237 /nfs/dbraw/zinc/46/12/37/1305461237.db2.gz RATFGTNOYVHSNI-LBPRGKRZSA-N 0 3 346.212 2.181 20 10 EECDHN C[C@H]1[C@H]([NH3+])CCCN1Cc1ccc(I)cc1[O-] ZINC001236421602 1305575524 /nfs/dbraw/zinc/57/55/24/1305575524.db2.gz VBSMFIKUWJCNAZ-JOYOIKCWSA-N 0 3 346.212 2.308 20 10 EECDHN CCOC(=O)[C@H]1CCN(Cc2c(C)cc(OC)cc2O)CCC1=O ZINC001236814507 1305687990 /nfs/dbraw/zinc/68/79/90/1305687990.db2.gz SLQVVFUJXWZCSQ-AWEZNQCLSA-N 0 3 335.400 2.053 20 10 EECDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc3ccccc3cc2[O-])O1 ZINC001236830549 1305692185 /nfs/dbraw/zinc/69/21/85/1305692185.db2.gz PIMCDYXLJDXUKH-QRQLOZEOSA-N 0 3 340.423 2.365 20 10 EECDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc3ccccc3cc2[O-])O1 ZINC001236830549 1305692193 /nfs/dbraw/zinc/69/21/93/1305692193.db2.gz PIMCDYXLJDXUKH-QRQLOZEOSA-N 0 3 340.423 2.365 20 10 EECDHN Oc1cccc(OC(F)(F)F)c1CN1CCC2(C[C@H](O)CO2)CC1 ZINC001237115708 1305799524 /nfs/dbraw/zinc/79/95/24/1305799524.db2.gz HQSWOOGLYSTUFG-NSHDSACASA-N 0 3 347.333 2.407 20 10 EECDHN O=C(Nc1nnco1)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278248409 1308909008 /nfs/dbraw/zinc/90/90/08/1308909008.db2.gz BVXMKJVARAQMPX-QHBPRCKVSA-N 0 3 346.362 2.011 20 10 EECDHN O=C(Nc1nnco1)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278248409 1308909009 /nfs/dbraw/zinc/90/90/09/1308909009.db2.gz BVXMKJVARAQMPX-QHBPRCKVSA-N 0 3 346.362 2.011 20 10 EECDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001122154570 1310232267 /nfs/dbraw/zinc/23/22/67/1310232267.db2.gz NYAGTPFDMIRXNV-KDOFPFPSSA-N 0 3 333.476 2.027 20 10 EECDHN CC[C@]1(C(=O)OC)C[C@@H](NCc2ccc(N3CCCCC3)cc2)CN1 ZINC001246171431 1310252021 /nfs/dbraw/zinc/25/20/21/1310252021.db2.gz VUGDCBMXSPQDKI-YLJYHZDGSA-N 0 3 345.487 2.450 20 10 EECDHN CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840159957 1315313352 /nfs/dbraw/zinc/31/33/52/1315313352.db2.gz NHZGMWPYCACBJB-DNVCBOLYSA-N 0 3 349.427 2.372 20 10 EECDHN CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840159957 1315313358 /nfs/dbraw/zinc/31/33/58/1315313358.db2.gz NHZGMWPYCACBJB-DNVCBOLYSA-N 0 3 349.427 2.372 20 10 EECDHN COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C[C@H]1C(=O)OC ZINC001257721319 1319058244 /nfs/dbraw/zinc/05/82/44/1319058244.db2.gz SQTIULFDCCTJHE-QHSBEEBCSA-N 0 3 335.400 2.174 20 10 EECDHN O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])O1)N1CCCC1 ZINC001203552396 1321910294 /nfs/dbraw/zinc/91/02/94/1321910294.db2.gz MGDLTROQQOQMOB-NXHRZFHOSA-N 0 3 330.428 2.137 20 10 EECDHN O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])O1)N1CCCC1 ZINC001203552396 1321910299 /nfs/dbraw/zinc/91/02/99/1321910299.db2.gz MGDLTROQQOQMOB-NXHRZFHOSA-N 0 3 330.428 2.137 20 10 EECDHN Oc1ccc(CN2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)cc1O ZINC001203876413 1321980081 /nfs/dbraw/zinc/98/00/81/1321980081.db2.gz DBGSTDKLLZJCGD-ZIAGYGMSSA-N 0 3 331.441 2.118 20 10 EECDHN CC[C@H](C)C[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341882448 1337304553 /nfs/dbraw/zinc/30/45/53/1337304553.db2.gz OGZULVIMQMLFAJ-HDMKZQKVSA-N 0 3 333.476 2.401 20 10 EECDHN CCc1cccc(CNCC(=O)NCc2ccc(OC)cc2)c1O ZINC000848894233 1338796064 /nfs/dbraw/zinc/79/60/64/1338796064.db2.gz GLVMBMYBVWVVPK-UHFFFAOYSA-N 0 3 328.412 2.369 20 10 EECDHN CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056017 1350841546 /nfs/dbraw/zinc/84/15/46/1350841546.db2.gz QGZDQARGVSEFEX-INIZCTEOSA-N 0 3 344.463 2.345 20 10 EECDHN C[C@@H](CN1CCOCC1)N(C)Cc1c(O)cccc1Br ZINC000862351667 1369530691 /nfs/dbraw/zinc/53/06/91/1369530691.db2.gz POMXKEVFZDSDPU-LBPRGKRZSA-N 0 3 343.265 2.307 20 10 EECDHN N[C@H](CC(F)F)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001580122676 1403830157 /nfs/dbraw/zinc/83/01/57/1403830157.db2.gz ZVUOUUBXOJVFGK-SNVBAGLBSA-N 0 3 331.326 2.317 20 10 EECDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000400902784 1409772874 /nfs/dbraw/zinc/77/28/74/1409772874.db2.gz LVVCUHCLAQPSEU-CZUORRHYSA-N 0 3 337.439 2.042 20 10 EECDHN CC[C@@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130574574 769049123 /nfs/dbraw/zinc/04/91/23/769049123.db2.gz TUAASPILRLAELF-SMDDNHRTSA-N 0 3 327.375 2.110 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(C(C)C)C3CC3)CC2)cc1 ZINC000075609968 790403410 /nfs/dbraw/zinc/40/34/10/790403410.db2.gz NCTHCBXMJDTNIM-UHFFFAOYSA-N 0 3 331.460 2.217 20 10 EECDHN COC(=O)c1c(CN(CCO)CC2CC2)c2cc(F)ccc2n1C ZINC000893976509 780360615 /nfs/dbraw/zinc/36/06/15/780360615.db2.gz VAEIPTJCSYIGAV-UHFFFAOYSA-N 0 3 334.391 2.308 20 10 EECDHN OC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1C(F)(F)F ZINC000809697990 783285857 /nfs/dbraw/zinc/28/58/57/783285857.db2.gz SYBDWKFYAYXISQ-WDEREUQCSA-N 0 3 333.306 2.114 20 10 EECDHN CCn1cc(CN(Cc2cc3c(cc2O)OC[C@H]3O)C(C)C)cn1 ZINC000844738593 789364694 /nfs/dbraw/zinc/36/46/94/789364694.db2.gz ZLOHXDBNUPXWPZ-QGZVFWFLSA-N 0 3 331.416 2.445 20 10 EECDHN CCn1cc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C(C)C)cn1 ZINC000844738593 789364706 /nfs/dbraw/zinc/36/47/06/789364706.db2.gz ZLOHXDBNUPXWPZ-QGZVFWFLSA-N 0 3 331.416 2.445 20 10 EECDHN CCn1cc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C(C)C)cn1 ZINC000844738593 789364714 /nfs/dbraw/zinc/36/47/14/789364714.db2.gz ZLOHXDBNUPXWPZ-QGZVFWFLSA-N 0 3 331.416 2.445 20 10 EECDHN CC[C@H](C)CN(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000171949938 791508305 /nfs/dbraw/zinc/50/83/05/791508305.db2.gz KWQOFVFWVMXNEP-INIZCTEOSA-N 0 3 333.476 2.322 20 10 EECDHN COCCN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000994494234 798093460 /nfs/dbraw/zinc/09/34/60/798093460.db2.gz MUNPWACBJGUBSC-SWLSCSKDSA-N 0 3 347.419 2.078 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC000160341825 463329736 /nfs/dbraw/zinc/32/97/36/463329736.db2.gz OCDSXALZKBFODW-ZDUSSCGKSA-N 0 3 331.416 2.208 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC000160341825 463329746 /nfs/dbraw/zinc/32/97/46/463329746.db2.gz OCDSXALZKBFODW-ZDUSSCGKSA-N 0 3 331.416 2.208 20 10 EECDHN COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])ccc1OCC(N)=O ZINC000185204918 463777089 /nfs/dbraw/zinc/77/70/89/463777089.db2.gz FNIWQYROXRFYKW-CYBMUJFWSA-N 0 3 344.411 2.424 20 10 EECDHN C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000268884190 463794758 /nfs/dbraw/zinc/79/47/58/463794758.db2.gz KVIYYDOHDDEZNK-KSSFIOAISA-N 0 3 341.459 2.332 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCN3)cc2F)C[C@H](C)O1 ZINC000269260836 463931540 /nfs/dbraw/zinc/93/15/40/463931540.db2.gz WHPHSBTVZCZHTH-JKIFEVAISA-N 0 3 349.450 2.198 20 10 EECDHN CCCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c([O-])c1 ZINC000279783297 464147237 /nfs/dbraw/zinc/14/72/37/464147237.db2.gz LMUBXQOAEVCBGJ-UHFFFAOYSA-N 0 3 327.446 2.238 20 10 EECDHN COc1cccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000291231801 464148200 /nfs/dbraw/zinc/14/82/00/464148200.db2.gz KKIDEGLEBZLXBZ-ZDUSSCGKSA-N 0 3 330.359 2.435 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]Cc1cccc(N3CCOCC3)c1)OCO2 ZINC000292938926 464378395 /nfs/dbraw/zinc/37/83/95/464378395.db2.gz JRFHAXGZIMKFTQ-UHFFFAOYSA-N 0 3 342.395 2.247 20 10 EECDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1[O-] ZINC000273565971 464719748 /nfs/dbraw/zinc/71/97/48/464719748.db2.gz JMKQXDIFDZBVBH-LLVKDONJSA-N 0 3 343.265 2.262 20 10 EECDHN COc1cc([O-])c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1OC ZINC000295177150 464734424 /nfs/dbraw/zinc/73/44/24/464734424.db2.gz VEELEEYHQQMDLW-HNNXBMFYSA-N 0 3 335.375 2.242 20 10 EECDHN CN(Cc1c([O-])cccc1Cl)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295192071 464738756 /nfs/dbraw/zinc/73/87/56/464738756.db2.gz XLORHXJNFQTQCP-NSHDSACASA-N 0 3 344.839 2.363 20 10 EECDHN CN(Cc1c(O)cccc1Cl)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295192071 464738762 /nfs/dbraw/zinc/73/87/62/464738762.db2.gz XLORHXJNFQTQCP-NSHDSACASA-N 0 3 344.839 2.363 20 10 EECDHN Cc1cc(O)c(C[NH2+]C[C@]([O-])(c2nccn2C)C(F)(F)F)cc1C ZINC000266236482 464769168 /nfs/dbraw/zinc/76/91/68/464769168.db2.gz VXEDAZRFWNMBQJ-HNNXBMFYSA-N 0 3 343.349 2.282 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000363847038 466636289 /nfs/dbraw/zinc/63/62/89/466636289.db2.gz DCBMRFGEUQQYAL-VEVIJQCQSA-N 0 3 331.416 2.072 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378443314 467302836 /nfs/dbraw/zinc/30/28/36/467302836.db2.gz RZCBCBZEJUNZRE-QAPCUYQASA-N 0 3 331.416 2.222 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378443314 467302841 /nfs/dbraw/zinc/30/28/41/467302841.db2.gz RZCBCBZEJUNZRE-QAPCUYQASA-N 0 3 331.416 2.222 20 10 EECDHN CCN1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000159893154 529027637 /nfs/dbraw/zinc/02/76/37/529027637.db2.gz WRGVIHAGURDJKB-UHFFFAOYSA-N 0 3 328.460 2.300 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC(C)(C)CC3)CC2)cc1 ZINC000726970563 576363097 /nfs/dbraw/zinc/36/30/97/576363097.db2.gz WUKQGYPOVFIOLF-UHFFFAOYSA-N 0 3 345.487 2.466 20 10 EECDHN O=S1(=O)CCN(c2ccc(CNCc3cccs3)cc2)CC1 ZINC000733330835 577223299 /nfs/dbraw/zinc/22/32/99/577223299.db2.gz PMSJAMULDPBBAZ-UHFFFAOYSA-N 0 3 336.482 2.273 20 10 EECDHN CCN(C)c1ccc(CN2CCC(C(=O)NCCOC)CC2)cc1 ZINC000773733772 577361589 /nfs/dbraw/zinc/36/15/89/577361589.db2.gz MKNFUWWWDHQKGR-UHFFFAOYSA-N 0 3 333.476 2.117 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000769463051 577578366 /nfs/dbraw/zinc/57/83/66/577578366.db2.gz LQOIKBCVVJSUHD-LBPRGKRZSA-N 0 3 344.371 2.390 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000769463051 577578367 /nfs/dbraw/zinc/57/83/67/577578367.db2.gz LQOIKBCVVJSUHD-LBPRGKRZSA-N 0 3 344.371 2.390 20 10 EECDHN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCc1ccc2c(c1)CCO2 ZINC000760576699 577666156 /nfs/dbraw/zinc/66/61/56/577666156.db2.gz QGAGEAGOEUYHHA-MRXNPFEDSA-N 0 3 330.815 2.461 20 10 EECDHN CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000756434626 577844066 /nfs/dbraw/zinc/84/40/66/577844066.db2.gz ODJNMZIAULMRNL-ZDUSSCGKSA-N 0 3 344.411 2.376 20 10 EECDHN CNC(=O)COc1cccc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000756434626 577844067 /nfs/dbraw/zinc/84/40/67/577844067.db2.gz ODJNMZIAULMRNL-ZDUSSCGKSA-N 0 3 344.411 2.376 20 10 EECDHN C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(F)ccc1[O-] ZINC000756836526 577850866 /nfs/dbraw/zinc/85/08/66/577850866.db2.gz BGAIZFXTMIYRAZ-ZETOZRRWSA-N 0 3 332.379 2.109 20 10 EECDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000741140406 578113266 /nfs/dbraw/zinc/11/32/66/578113266.db2.gz RDXXJJLWOFBYMX-HOTGVXAUSA-N 0 3 331.460 2.012 20 10 EECDHN CCc1nocc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246412 676238541 /nfs/dbraw/zinc/23/85/41/676238541.db2.gz NMEGNIZYHCBZMS-QGZVFWFLSA-N 0 3 330.432 2.336 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CCCOC2)N(C)C)cc1 ZINC000891246799 676240308 /nfs/dbraw/zinc/24/03/08/676240308.db2.gz DTTRDSRFOGOWJC-IEBWSBKVSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2c(F)cncc2F)N(C)C)cc1 ZINC000891246847 676240440 /nfs/dbraw/zinc/24/04/40/676240440.db2.gz QJESOLQRLXTJME-INIZCTEOSA-N 0 3 348.397 2.459 20 10 EECDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnccn1 ZINC000891248575 676242717 /nfs/dbraw/zinc/24/27/17/676242717.db2.gz ZDVAEARZXBLSQY-KSSFIOAISA-N 0 3 341.459 2.065 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ccon2)N(C)C)cc1 ZINC000891249443 676244093 /nfs/dbraw/zinc/24/40/93/676244093.db2.gz QWGDBKVDJNGOTP-QGZVFWFLSA-N 0 3 330.432 2.092 20 10 EECDHN COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)sn1 ZINC000891249764 676244624 /nfs/dbraw/zinc/24/46/24/676244624.db2.gz SMMFLQCKHJURNC-CQSZACIVSA-N 0 3 348.472 2.250 20 10 EECDHN CNC(=O)c1ccc(CN(C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000891525906 676684615 /nfs/dbraw/zinc/68/46/15/676684615.db2.gz ZPZJJQLDSOZPJA-UHFFFAOYSA-N 0 3 344.411 2.401 20 10 EECDHN C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)c1ccccc1O ZINC000892790638 683054564 /nfs/dbraw/zinc/05/45/64/683054564.db2.gz GXBVSXKUXKFLSS-CZUORRHYSA-N 0 3 325.412 2.467 20 10 EECDHN COc1ccc(CN[C@@]2(CO)CCc3ccccc32)c(O)c1OC ZINC000893205948 684131866 /nfs/dbraw/zinc/13/18/66/684131866.db2.gz NGSXEAIIESPRSC-LJQANCHMSA-N 0 3 329.396 2.333 20 10 EECDHN COC(C)(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893279189 684475340 /nfs/dbraw/zinc/47/53/40/684475340.db2.gz MMHRBMYDENCKQV-INIZCTEOSA-N 0 3 336.480 2.080 20 10 EECDHN OC1CCN(c2ccc(CN3CCCC[C@H]3C3OCCO3)cc2)CC1 ZINC000876680323 1199719040 /nfs/dbraw/zinc/71/90/40/1199719040.db2.gz ZUPXRFCBFFSCJP-IBGZPJMESA-N 0 3 346.471 2.375 20 10 EECDHN Cc1ccc(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000877009652 1199843622 /nfs/dbraw/zinc/84/36/22/1199843622.db2.gz VEGOGNRBRPWXGI-UHFFFAOYSA-N 0 3 335.425 2.273 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000877577510 1199970699 /nfs/dbraw/zinc/97/06/99/1199970699.db2.gz GFWNCYCRDLLRQR-AWEZNQCLSA-N 0 3 336.432 2.426 20 10 EECDHN CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648265 1201193347 /nfs/dbraw/zinc/19/33/47/1201193347.db2.gz HRVQUGZHOFJGRK-CHWSQXEVSA-N 0 3 341.411 2.430 20 10 EECDHN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](N)CC2CC2)cc1 ZINC000884304978 1202288809 /nfs/dbraw/zinc/28/88/09/1202288809.db2.gz ICMQTQQRUAGALT-MOPGFXCFSA-N 0 3 345.487 2.388 20 10 EECDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000778995823 1208432468 /nfs/dbraw/zinc/43/24/68/1208432468.db2.gz SXBXISXJLBXHAP-LLVKDONJSA-N 0 3 338.404 2.372 20 10 EECDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000778995823 1208432470 /nfs/dbraw/zinc/43/24/70/1208432470.db2.gz SXBXISXJLBXHAP-LLVKDONJSA-N 0 3 338.404 2.372 20 10 EECDHN CCCC[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185840 1234073985 /nfs/dbraw/zinc/07/39/85/1234073985.db2.gz STTMGTRBFRPOSP-DLBZAZTESA-N 0 3 346.475 2.466 20 10 EECDHN COc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850406917 1277216871 /nfs/dbraw/zinc/21/68/71/1277216871.db2.gz YXDPMVNKOFXTCN-UHFFFAOYSA-N 0 3 327.428 2.341 20 10 EECDHN O=C1c2cccc(O[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)c2C(=O)c2cccc([O-])c21 ZINC001218479645 1297674845 /nfs/dbraw/zinc/67/48/45/1297674845.db2.gz QOPRRPROLIRTIB-OWRWGESLSA-N 0 3 335.359 2.439 20 10 EECDHN COC(=O)[C@H]1CNCCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001222413940 1299555219 /nfs/dbraw/zinc/55/52/19/1299555219.db2.gz GMBORNSYFMOZGA-GOSISDBHSA-N 0 3 327.428 2.041 20 10 EECDHN COc1ccc(Br)c(CN2CCN3CC[C@@H]3C2)c1O ZINC001231555230 1303844187 /nfs/dbraw/zinc/84/41/87/1303844187.db2.gz JRZZALOVDRQMLG-SNVBAGLBSA-N 0 3 327.222 2.053 20 10 EECDHN Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)Nc2nnco2)c([O-])c1 ZINC001277559394 1303907055 /nfs/dbraw/zinc/90/70/55/1303907055.db2.gz BHYQPQHQLXCIPH-GUYJKWIASA-N 0 3 342.399 2.227 20 10 EECDHN COc1cc(O)c(CN2CCN(CCC(C)(C)O)CC2)cc1Cl ZINC001232271669 1304060530 /nfs/dbraw/zinc/06/05/30/1304060530.db2.gz ZQTXMTKNYXXBRT-UHFFFAOYSA-N 0 3 342.867 2.333 20 10 EECDHN CCN1CCN(c2ccc(O[C@H]3CCc4nccn4C3)cc2)CC1 ZINC001234661138 1305003383 /nfs/dbraw/zinc/00/33/83/1305003383.db2.gz QAPQPKJKRUXQRY-SFHVURJKSA-N 0 3 326.444 2.419 20 10 EECDHN CC[C@H]1C[NH2+]CCN1Cc1c([O-])cc(OC)cc1Br ZINC001235770618 1305376135 /nfs/dbraw/zinc/37/61/35/1305376135.db2.gz ALHINERRZFCSFR-JTQLQIEISA-N 0 3 329.238 2.347 20 10 EECDHN CCC(=O)N(C)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236753308 1305659849 /nfs/dbraw/zinc/65/98/49/1305659849.db2.gz KXNHGSIHLCGWCX-UHFFFAOYSA-N 0 3 336.432 2.242 20 10 EECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236807706 1305683545 /nfs/dbraw/zinc/68/35/45/1305683545.db2.gz JYCVJHPFIRURHC-IEBWSBKVSA-N 0 3 349.427 2.253 20 10 EECDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236807706 1305683554 /nfs/dbraw/zinc/68/35/54/1305683554.db2.gz JYCVJHPFIRURHC-IEBWSBKVSA-N 0 3 349.427 2.253 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(Br)c1 ZINC001237069533 1305786258 /nfs/dbraw/zinc/78/62/58/1305786258.db2.gz GVMLBAIUOQZUAI-PHIMTYICSA-N 0 3 341.249 2.157 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(Br)c1 ZINC001237069533 1305786265 /nfs/dbraw/zinc/78/62/65/1305786265.db2.gz GVMLBAIUOQZUAI-PHIMTYICSA-N 0 3 341.249 2.157 20 10 EECDHN CCN1CC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)[C@H](COC)C1=O ZINC001237488749 1305955759 /nfs/dbraw/zinc/95/57/59/1305955759.db2.gz ORFJWGQKTUBPRS-QGZVFWFLSA-N 0 3 346.471 2.408 20 10 EECDHN COc1cc(CN2CCC(NC(=O)C(C)C)CC2)c(O)c(OC)c1 ZINC001237677280 1306039678 /nfs/dbraw/zinc/03/96/78/1306039678.db2.gz YVKKFCYFPCYOFW-UHFFFAOYSA-N 0 3 336.432 2.146 20 10 EECDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(N(C)C)cc2C)C1(C)C ZINC000829764501 1314514069 /nfs/dbraw/zinc/51/40/69/1314514069.db2.gz NDBYYLGEEQFCQP-VQIMIIECSA-N 0 3 333.476 2.210 20 10 EECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@]1(N3CCOCC3)CCSC1)CC2 ZINC000834533868 1314848211 /nfs/dbraw/zinc/84/82/11/1314848211.db2.gz AZCHRHAFYJXWJW-CRAIPNDOSA-N 0 3 334.485 2.177 20 10 EECDHN CCN1CCN(c2ccc(CN(C)Cc3cnccn3)cc2)CC1 ZINC001140304720 1314862685 /nfs/dbraw/zinc/86/26/85/1314862685.db2.gz ZMDMLFXDVNJBCN-UHFFFAOYSA-N 0 3 325.460 2.251 20 10 EECDHN COc1cc(CN(C)CCCNC(=O)OC(C)(C)C)cc(O)c1O ZINC001204346107 1322121418 /nfs/dbraw/zinc/12/14/18/1322121418.db2.gz DNJCHAPWBQVOFU-UHFFFAOYSA-N 0 3 340.420 2.453 20 10 EECDHN COc1cc([O-])c(CN2[C@H](C)C[NH2+]C[C@@H]2C)c(Br)c1 ZINC001209886424 1325085323 /nfs/dbraw/zinc/08/53/23/1325085323.db2.gz LHWTWELDZOWLQP-AOOOYVTPSA-N 0 3 329.238 2.346 20 10 EECDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320424904 1332880778 /nfs/dbraw/zinc/88/07/78/1332880778.db2.gz UENVBYPQEFWOJQ-JKSUJKDBSA-N 0 3 334.483 2.102 20 10 EECDHN COc1ccc(CN[C@@H]2CCN(c3ccccc3)C2=O)c(O)c1OC ZINC001334941490 1336315635 /nfs/dbraw/zinc/31/56/35/1336315635.db2.gz CPPKYCZEBINTCD-OAHLLOKOSA-N 0 3 342.395 2.305 20 10 EECDHN CC[N@H+](Cc1ccc(OCC(N)=O)c(OC)c1)Cc1ccccc1[O-] ZINC001138597591 1372402564 /nfs/dbraw/zinc/40/25/64/1372402564.db2.gz GDHDZGOODVNUMX-UHFFFAOYSA-N 0 3 344.411 2.287 20 10 EECDHN CC[N@@H+](Cc1ccc(OCC(N)=O)c(OC)c1)Cc1ccccc1[O-] ZINC001138597591 1372402570 /nfs/dbraw/zinc/40/25/70/1372402570.db2.gz GDHDZGOODVNUMX-UHFFFAOYSA-N 0 3 344.411 2.287 20 10 EECDHN CCNC(=O)OC1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141030946 1372744999 /nfs/dbraw/zinc/74/49/99/1372744999.db2.gz RYZJFYCOVIJSEH-UHFFFAOYSA-N 0 3 338.404 2.120 20 10 EECDHN CN(CCNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000180697359 775012411 /nfs/dbraw/zinc/01/24/11/775012411.db2.gz FBIGFEDFDWOTCD-CSKARUKUSA-N 0 3 326.396 2.359 20 10 EECDHN COC1(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000894077497 780506193 /nfs/dbraw/zinc/50/61/93/780506193.db2.gz AGLDCHSOJXQOCI-KRWDZBQOSA-N 0 3 348.491 2.224 20 10 EECDHN COc1ccc(CNC(=O)CN[C@H](C)c2cccc(OC)c2O)cc1 ZINC000846142187 790073296 /nfs/dbraw/zinc/07/32/96/790073296.db2.gz QTDMFQIYLGULCT-CYBMUJFWSA-N 0 3 344.411 2.376 20 10 EECDHN COC(=O)[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000787420946 807108938 /nfs/dbraw/zinc/10/89/38/807108938.db2.gz NIIATHMCIYROTI-HIFRSBDPSA-N 0 3 336.407 2.046 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000808683799 812792636 /nfs/dbraw/zinc/79/26/36/812792636.db2.gz JYBQJRRYVRDIHH-YPMHNXCESA-N 0 3 346.880 2.429 20 10 EECDHN O=C1CCCCN1CC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000093532277 237044868 /nfs/dbraw/zinc/04/48/68/237044868.db2.gz WZXQWTXDDUHSKZ-UHFFFAOYSA-N 0 3 346.427 2.345 20 10 EECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000076074334 462801627 /nfs/dbraw/zinc/80/16/27/462801627.db2.gz SYXHRAANXINREA-INIZCTEOSA-N 0 3 333.476 2.157 20 10 EECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000076074334 462801632 /nfs/dbraw/zinc/80/16/32/462801632.db2.gz SYXHRAANXINREA-INIZCTEOSA-N 0 3 333.476 2.157 20 10 EECDHN CN1CCCc2cc(CNC(=O)N3CC[C@H](N4CCCC4)C3)ccc21 ZINC000066191702 462861455 /nfs/dbraw/zinc/86/14/55/462861455.db2.gz ZLTMNCUXGOVMHJ-SFHVURJKSA-N 0 3 342.487 2.449 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000092012043 462919268 /nfs/dbraw/zinc/91/92/68/462919268.db2.gz BZCTUKAABCJPTQ-KDOFPFPSSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000092012043 462919269 /nfs/dbraw/zinc/91/92/69/462919269.db2.gz BZCTUKAABCJPTQ-KDOFPFPSSA-N 0 3 345.443 2.470 20 10 EECDHN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185007143 463735926 /nfs/dbraw/zinc/73/59/26/463735926.db2.gz RYDFZHSSRLWXMJ-HNNXBMFYSA-N 0 3 333.476 2.342 20 10 EECDHN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000185859019 463893239 /nfs/dbraw/zinc/89/32/39/463893239.db2.gz HNHVTBXSKVFHLG-UHFFFAOYSA-N 0 3 332.425 2.222 20 10 EECDHN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(F)ccc1[O-] ZINC000186100871 463936783 /nfs/dbraw/zinc/93/67/83/463936783.db2.gz BIYKMTLWTYCKGR-LLVKDONJSA-N 0 3 342.436 2.139 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](C3CC3)C1)cc2=O ZINC000289350294 464074705 /nfs/dbraw/zinc/07/47/05/464074705.db2.gz GAUPEIXGNIOUOY-CYBMUJFWSA-N 0 3 344.415 2.234 20 10 EECDHN COC(=O)CCn1nc(C)c(CNCc2cccc(OC)c2O)c1C ZINC000289413169 464076998 /nfs/dbraw/zinc/07/69/98/464076998.db2.gz IBKDNAWTLSJOGB-UHFFFAOYSA-N 0 3 347.415 2.067 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000187399735 464125647 /nfs/dbraw/zinc/12/56/47/464125647.db2.gz UCKPBFGCRDGJML-HZMBPMFUSA-N 0 3 330.222 2.265 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000280075647 464185670 /nfs/dbraw/zinc/18/56/70/464185670.db2.gz LJNHMXBIKMWHQC-HIFRSBDPSA-N 0 3 326.462 2.165 20 10 EECDHN COc1ccc(O)c(CN(C)C[C@H](O)COCc2ccccc2)c1 ZINC000179846149 464198494 /nfs/dbraw/zinc/19/84/94/464198494.db2.gz QPGBTIZYEQADTD-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN COc1ccc([O-])c(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1 ZINC000179846149 464198501 /nfs/dbraw/zinc/19/85/01/464198501.db2.gz QPGBTIZYEQADTD-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN COc1ccc([O-])c(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1 ZINC000179846149 464198506 /nfs/dbraw/zinc/19/85/06/464198506.db2.gz QPGBTIZYEQADTD-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN Cc1cc(CN2CCC(C(=O)N3CCOCC3)CC2)ccc1N(C)C ZINC000292946065 464378158 /nfs/dbraw/zinc/37/81/58/464378158.db2.gz BHLRZYOJDXYYJK-UHFFFAOYSA-N 0 3 345.487 2.132 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H](C2CC2)C(C)(C)CO)cc1 ZINC000293145191 464388849 /nfs/dbraw/zinc/38/88/49/464388849.db2.gz TXWMOFDNYIXFQO-LJQANCHMSA-N 0 3 347.503 2.098 20 10 EECDHN COCCN1CC[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000271876017 464397187 /nfs/dbraw/zinc/39/71/87/464397187.db2.gz ZFCSLFJEXFYRFR-CQSZACIVSA-N 0 3 343.265 2.273 20 10 EECDHN COc1cc([O-])c(C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1OC ZINC000294023191 464430174 /nfs/dbraw/zinc/43/01/74/464430174.db2.gz VBUPJNHYHUVCME-MRXNPFEDSA-N 0 3 331.412 2.445 20 10 EECDHN COc1cc([O-])c(C[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1OC ZINC000294023191 464430181 /nfs/dbraw/zinc/43/01/81/464430181.db2.gz VBUPJNHYHUVCME-MRXNPFEDSA-N 0 3 331.412 2.445 20 10 EECDHN CN(C)c1ccc(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1 ZINC000294694886 464577055 /nfs/dbraw/zinc/57/70/55/464577055.db2.gz BZJSSFSUEJKUPR-INIZCTEOSA-N 0 3 337.464 2.070 20 10 EECDHN CN(C)C1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCC1 ZINC000275458246 464774382 /nfs/dbraw/zinc/77/43/82/464774382.db2.gz MUJRSZKLFOVNBX-UHFFFAOYSA-N 0 3 328.460 2.346 20 10 EECDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000295863592 464989361 /nfs/dbraw/zinc/98/93/61/464989361.db2.gz BRUULQVSQLMYGL-SWLSCSKDSA-N 0 3 340.489 2.249 20 10 EECDHN COC1CCC(N(C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000299218965 465652882 /nfs/dbraw/zinc/65/28/82/465652882.db2.gz IFDSCIPSVINKBP-UHFFFAOYSA-N 0 3 333.476 2.258 20 10 EECDHN Oc1cc2c(cc1CN1CCC(OC[C@@H]3CCOC3)CC1)OCO2 ZINC000368258754 466590968 /nfs/dbraw/zinc/59/09/68/466590968.db2.gz RNNZTNJQZRKUCC-CYBMUJFWSA-N 0 3 335.400 2.138 20 10 EECDHN CCOc1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c([O-])c1 ZINC000725846655 576065973 /nfs/dbraw/zinc/06/59/73/576065973.db2.gz OEJKWSMDJVKJPD-INIZCTEOSA-N 0 3 331.416 2.147 20 10 EECDHN COC1(CO)CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000775204156 577432712 /nfs/dbraw/zinc/43/27/12/577432712.db2.gz ORMKHSYZABWIRT-UHFFFAOYSA-N 0 3 344.249 2.436 20 10 EECDHN CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768462185 577556368 /nfs/dbraw/zinc/55/63/68/577556368.db2.gz KYZGJTWFHYTMEH-GUYCJALGSA-N 0 3 349.427 2.373 20 10 EECDHN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768462185 577556369 /nfs/dbraw/zinc/55/63/69/577556369.db2.gz KYZGJTWFHYTMEH-GUYCJALGSA-N 0 3 349.427 2.373 20 10 EECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c([O-])c1 ZINC000770332659 577594026 /nfs/dbraw/zinc/59/40/26/577594026.db2.gz PLELMOUAIDBAIM-QAPCUYQASA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c([O-])c1 ZINC000770332659 577594027 /nfs/dbraw/zinc/59/40/27/577594027.db2.gz PLELMOUAIDBAIM-QAPCUYQASA-N 0 3 345.443 2.470 20 10 EECDHN CCCn1ccnc1CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000762073882 577694445 /nfs/dbraw/zinc/69/44/45/577694445.db2.gz KVCDGSKCSBTSJB-QGZVFWFLSA-N 0 3 345.443 2.489 20 10 EECDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000762073882 577694446 /nfs/dbraw/zinc/69/44/46/577694446.db2.gz KVCDGSKCSBTSJB-QGZVFWFLSA-N 0 3 345.443 2.489 20 10 EECDHN C[C@@H](N[C@@H](C)CC(N)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000763398227 577720623 /nfs/dbraw/zinc/72/06/23/577720623.db2.gz KIYYSOZRHPFEQJ-NWDGAFQWSA-N 0 3 325.840 2.091 20 10 EECDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)CC2CC2)c1[O-] ZINC000754836141 577814541 /nfs/dbraw/zinc/81/45/41/577814541.db2.gz YWMPVEFHLPLTHB-GFCCVEGCSA-N 0 3 330.222 2.414 20 10 EECDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756574621 577847126 /nfs/dbraw/zinc/84/71/26/577847126.db2.gz DIMRDPBEMODYLV-TZMCWYRMSA-N 0 3 339.430 2.490 20 10 EECDHN CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(CC)CC ZINC000735989105 578176541 /nfs/dbraw/zinc/17/65/41/578176541.db2.gz BKEQRVSFBWRROP-SFHVURJKSA-N 0 3 333.476 2.464 20 10 EECDHN CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000310044372 679811529 /nfs/dbraw/zinc/81/15/29/679811529.db2.gz MUVNNKJSISQOMJ-CQSZACIVSA-N 0 3 340.395 2.257 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1F ZINC000892485769 680089078 /nfs/dbraw/zinc/08/90/78/680089078.db2.gz NJUKKASBZCXXCP-IAGOWNOFSA-N 0 3 334.439 2.270 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1F ZINC000892485767 680089119 /nfs/dbraw/zinc/08/91/19/680089119.db2.gz NJUKKASBZCXXCP-DLBZAZTESA-N 0 3 334.439 2.270 20 10 EECDHN CO[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000895055463 683564408 /nfs/dbraw/zinc/56/44/08/683564408.db2.gz QMESHNHTZKSVLA-ZWKOTPCHSA-N 0 3 348.491 2.080 20 10 EECDHN Cc1ccc(S(=O)(=O)NCCNCc2ccc(N(C)C)cc2)cc1 ZINC000067450448 683957242 /nfs/dbraw/zinc/95/72/42/683957242.db2.gz TVSONOVNHGDIEP-UHFFFAOYSA-N 0 3 347.484 2.129 20 10 EECDHN COc1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)c(O)c1OC ZINC000893202824 684125286 /nfs/dbraw/zinc/12/52/86/684125286.db2.gz OSGGEKJAAOVWDS-UHFFFAOYSA-N 0 3 338.448 2.440 20 10 EECDHN CCN(CC)c1ccc(CNCCS(=O)(=O)N2CCCC2)cc1 ZINC000897832283 691796373 /nfs/dbraw/zinc/79/63/73/691796373.db2.gz OKYBWRZREBZGNJ-UHFFFAOYSA-N 0 3 339.505 2.048 20 10 EECDHN C[C@@H]1OCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C ZINC000899101324 693605647 /nfs/dbraw/zinc/60/56/47/693605647.db2.gz IWZBSYPZZYQNPS-MPGHIAIKSA-N 0 3 348.491 2.174 20 10 EECDHN CC[C@@H](C)N1C(=O)C[C@@]2(CCCN(Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902347 1193597761 /nfs/dbraw/zinc/59/77/61/1193597761.db2.gz CROBWXRDBIZILI-BFUOFWGJSA-N 0 3 346.427 2.237 20 10 EECDHN CCOCCN1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619681 1190934083 /nfs/dbraw/zinc/93/40/83/1190934083.db2.gz YALVIOMLZBCBEB-UHFFFAOYSA-N 0 3 332.444 2.243 20 10 EECDHN COc1cc(CN2CC[C@@]3(CCN(CC(C)C)C3=O)C2)cc(O)c1O ZINC001272987624 1194296057 /nfs/dbraw/zinc/29/60/57/1194296057.db2.gz FHNAMVXNFPTONC-LJQANCHMSA-N 0 3 348.443 2.187 20 10 EECDHN O[C@@H]([C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000123697801 1197786260 /nfs/dbraw/zinc/78/62/60/1197786260.db2.gz REIRCTRNRLXKDF-CVEARBPZSA-N 0 3 344.377 2.411 20 10 EECDHN OCc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876969237 1199833532 /nfs/dbraw/zinc/83/35/32/1199833532.db2.gz YVHMHSPBVZNNOT-UHFFFAOYSA-N 0 3 326.440 2.430 20 10 EECDHN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCCN(C)C ZINC000866559682 1201548392 /nfs/dbraw/zinc/54/83/92/1201548392.db2.gz KZCHVZIOTIPMDB-UHFFFAOYSA-N 0 3 341.521 2.245 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273984550 1202211059 /nfs/dbraw/zinc/21/10/59/1202211059.db2.gz JUADXLBWKLNZDY-FOIQADDNSA-N 0 3 343.471 2.155 20 10 EECDHN CCc1ccc(C[NH+]2CCC3(CCN(C4COC4)C3=O)CC2)c([O-])c1 ZINC001274655459 1205118121 /nfs/dbraw/zinc/11/81/21/1205118121.db2.gz KRKXBLCIHFRJGS-UHFFFAOYSA-N 0 3 344.455 2.168 20 10 EECDHN Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC(=O)N(C)C)C3)C2)c([O-])c1 ZINC001276169003 1205811360 /nfs/dbraw/zinc/81/13/60/1205811360.db2.gz MKOMEARNWYJPBY-HXUWFJFHSA-N 0 3 345.487 2.077 20 10 EECDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC(=O)N(C)C)C3)C2)c([O-])c1 ZINC001276169003 1205811362 /nfs/dbraw/zinc/81/13/62/1205811362.db2.gz MKOMEARNWYJPBY-HXUWFJFHSA-N 0 3 345.487 2.077 20 10 EECDHN C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CN1Cc1ccccc1 ZINC000193132898 1210738239 /nfs/dbraw/zinc/73/82/39/1210738239.db2.gz CAASBLIHPPOROT-DZGCQCFKSA-N 0 3 326.396 2.491 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)N(C)C(C)(C)C2=O)N(C)C)cc1 ZINC000900185747 1234073896 /nfs/dbraw/zinc/07/38/96/1234073896.db2.gz RPVIYVGYTIRRHJ-HNNXBMFYSA-N 0 3 332.448 2.028 20 10 EECDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862334994 1295797448 /nfs/dbraw/zinc/79/74/48/1295797448.db2.gz WYCZFIRQJVRNHJ-ZDUSSCGKSA-N 0 3 341.446 2.308 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000862532104 1295868955 /nfs/dbraw/zinc/86/89/55/1295868955.db2.gz PXUCVOOHANUYRD-GOSISDBHSA-N 0 3 342.439 2.127 20 10 EECDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001222414309 1299556585 /nfs/dbraw/zinc/55/65/85/1299556585.db2.gz JWXFUWYJDKTREE-SFHVURJKSA-N 0 3 327.428 2.041 20 10 EECDHN O=C(NCC(F)F)[C@@H]1CCSC12CN(Cc1ccccc1O)C2 ZINC001277441498 1303029781 /nfs/dbraw/zinc/02/97/81/1303029781.db2.gz MCTMIOLDLLLCQP-LBPRGKRZSA-N 0 3 342.411 2.081 20 10 EECDHN O=C(NCC(F)F)[C@@H]1CCSC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277441498 1303029786 /nfs/dbraw/zinc/02/97/86/1303029786.db2.gz MCTMIOLDLLLCQP-LBPRGKRZSA-N 0 3 342.411 2.081 20 10 EECDHN Cc1ccc(C[NH2+]C23CC(C(=O)N4C[C@@H](C)O[C@H](C)C4)(C2)C3)c([O-])c1 ZINC001277568801 1303922443 /nfs/dbraw/zinc/92/24/43/1303922443.db2.gz QWIQTFWCNMHOII-SNEKZUEESA-N 0 3 344.455 2.349 20 10 EECDHN CCN(CCC(=O)OC)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232404715 1304108724 /nfs/dbraw/zinc/10/87/24/1304108724.db2.gz XNJGMQAWORFJNF-UHFFFAOYSA-N 0 3 332.400 2.350 20 10 EECDHN COc1cc([O-])c(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC001233139879 1304373207 /nfs/dbraw/zinc/37/32/07/1304373207.db2.gz SOSGEMAWSUPWPS-GFCCVEGCSA-N 0 3 341.249 2.443 20 10 EECDHN COc1cc([O-])c(CN2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC001233139879 1304373213 /nfs/dbraw/zinc/37/32/13/1304373213.db2.gz SOSGEMAWSUPWPS-GFCCVEGCSA-N 0 3 341.249 2.443 20 10 EECDHN Oc1ccc(F)c(F)c1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001233333189 1304434607 /nfs/dbraw/zinc/43/46/07/1304434607.db2.gz MXORKAMOMSXDJP-UHFFFAOYSA-N 0 3 348.397 2.479 20 10 EECDHN COc1cc(C)c(CN2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001236812853 1305687899 /nfs/dbraw/zinc/68/78/99/1305687899.db2.gz FSHNHECUDMFYJL-UHFFFAOYSA-N 0 3 341.455 2.465 20 10 EECDHN CCOc1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001237043056 1305777053 /nfs/dbraw/zinc/77/70/53/1305777053.db2.gz NDRYNOZYEAFMCZ-HZPDHXFCSA-N 0 3 340.427 2.149 20 10 EECDHN CC[C@H](C)C[C@@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001121926181 1310174608 /nfs/dbraw/zinc/17/46/08/1310174608.db2.gz KCOUPHHGHAMTJH-XJKSGUPXSA-N 0 3 337.439 2.246 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001139133204 1314708855 /nfs/dbraw/zinc/70/88/55/1314708855.db2.gz DZFJGSLKEUCETN-BFUOFWGJSA-N 0 3 328.412 2.191 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001139133204 1314708856 /nfs/dbraw/zinc/70/88/56/1314708856.db2.gz DZFJGSLKEUCETN-BFUOFWGJSA-N 0 3 328.412 2.191 20 10 EECDHN NC(=O)c1ccccc1N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834578446 1314850045 /nfs/dbraw/zinc/85/00/45/1314850045.db2.gz PUJPABXYJVOEAR-HOCLYGCPSA-N 0 3 337.423 2.347 20 10 EECDHN Oc1ccc(O)c(CN2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c1 ZINC001141160202 1315051684 /nfs/dbraw/zinc/05/16/84/1315051684.db2.gz SARDYHDNTSCVRZ-HNAYVOBHSA-N 0 3 344.411 2.024 20 10 EECDHN CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000840156309 1315312825 /nfs/dbraw/zinc/31/28/25/1315312825.db2.gz DZAQIJVBQOGFDB-KRWDZBQOSA-N 0 3 331.416 2.210 20 10 EECDHN CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000840156309 1315312826 /nfs/dbraw/zinc/31/28/26/1315312826.db2.gz DZAQIJVBQOGFDB-KRWDZBQOSA-N 0 3 331.416 2.210 20 10 EECDHN COc1cccc(OC[C@H](O)C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001253958054 1317965664 /nfs/dbraw/zinc/96/56/64/1317965664.db2.gz KJEHFGPXUSTZKO-OAHLLOKOSA-N 0 3 329.396 2.199 20 10 EECDHN COc1cccc(OC[C@H](O)C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001253958054 1317965670 /nfs/dbraw/zinc/96/56/70/1317965670.db2.gz KJEHFGPXUSTZKO-OAHLLOKOSA-N 0 3 329.396 2.199 20 10 EECDHN O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]12)NC1CCC1 ZINC001203552286 1321910485 /nfs/dbraw/zinc/91/04/85/1321910485.db2.gz HWCWWNDYKGAWOS-SZVBFZGTSA-N 0 3 344.455 2.288 20 10 EECDHN O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]12)NC1CCC1 ZINC001203552286 1321910487 /nfs/dbraw/zinc/91/04/87/1321910487.db2.gz HWCWWNDYKGAWOS-SZVBFZGTSA-N 0 3 344.455 2.288 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001203552669 1321911120 /nfs/dbraw/zinc/91/11/20/1321911120.db2.gz PTVRUOUNCHTKBC-APWZRJJASA-N 0 3 326.396 2.315 20 10 EECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001203552669 1321911123 /nfs/dbraw/zinc/91/11/23/1321911123.db2.gz PTVRUOUNCHTKBC-APWZRJJASA-N 0 3 326.396 2.315 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001204274008 1322100042 /nfs/dbraw/zinc/10/00/42/1322100042.db2.gz YEHWHWDXCLGTJV-OKILXGFUSA-N 0 3 331.441 2.118 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001204274008 1322100045 /nfs/dbraw/zinc/10/00/45/1322100045.db2.gz YEHWHWDXCLGTJV-OKILXGFUSA-N 0 3 331.441 2.118 20 10 EECDHN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001208987542 1324750087 /nfs/dbraw/zinc/75/00/87/1324750087.db2.gz PTRCDGKITBFUBX-HNNXBMFYSA-N 0 3 348.443 2.386 20 10 EECDHN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001208987542 1324750091 /nfs/dbraw/zinc/75/00/91/1324750091.db2.gz PTRCDGKITBFUBX-HNNXBMFYSA-N 0 3 348.443 2.386 20 10 EECDHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CN1CCc2cccc(O)c2C1 ZINC001208987542 1324750096 /nfs/dbraw/zinc/75/00/96/1324750096.db2.gz PTRCDGKITBFUBX-HNNXBMFYSA-N 0 3 348.443 2.386 20 10 EECDHN COc1cc(C)c(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c([O-])c1 ZINC001308943678 1331609634 /nfs/dbraw/zinc/60/96/34/1331609634.db2.gz LUACOIZOBONHHL-SFHVURJKSA-N 0 3 334.416 2.420 20 10 EECDHN CC1=NC2(CCN(Cc3ccc4c(c3)CCCN4C)CC2)C(=O)N1C ZINC001138359077 1372387136 /nfs/dbraw/zinc/38/71/36/1372387136.db2.gz JVZSXCDIKPUWOF-UHFFFAOYSA-N 0 3 340.471 2.294 20 10 EECDHN COc1cc([O-])c(C[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c(OC)c1 ZINC001141031069 1372744915 /nfs/dbraw/zinc/74/49/15/1372744915.db2.gz XEBKUGWBNBZJFY-AWEZNQCLSA-N 0 3 336.432 2.241 20 10 EECDHN COc1cc([O-])c(C[N@@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c(OC)c1 ZINC001141031069 1372744919 /nfs/dbraw/zinc/74/49/19/1372744919.db2.gz XEBKUGWBNBZJFY-AWEZNQCLSA-N 0 3 336.432 2.241 20 10 EECDHN Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cc(O)ccc3O)O2)n1 ZINC001141157039 1372764841 /nfs/dbraw/zinc/76/48/41/1372764841.db2.gz AWXMJQXVPIWACD-FVQBIDKESA-N 0 3 331.372 2.284 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@]2(C)CCCO2)N(C)C)cc1 ZINC000893559300 770510832 /nfs/dbraw/zinc/51/08/32/770510832.db2.gz XTVGVMBTWWPVLI-HKUYNNGSSA-N 0 3 348.491 2.224 20 10 EECDHN CCCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1O ZINC000069009968 775106780 /nfs/dbraw/zinc/10/67/80/775106780.db2.gz XGGUCXURIPEEIW-UHFFFAOYSA-N 0 3 333.432 2.373 20 10 EECDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902067 785054973 /nfs/dbraw/zinc/05/49/73/785054973.db2.gz HRIHPIHRWWLJKF-RBUKOAKNSA-N 0 3 345.487 2.306 20 10 EECDHN CC(=O)c1ccc(OC[C@H](O)CNCc2ccc3c(c2)CCO3)cc1 ZINC000818996606 785357701 /nfs/dbraw/zinc/35/77/01/785357701.db2.gz JQBIIODCPSOAJK-GOSISDBHSA-N 0 3 341.407 2.354 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1Cl ZINC000824474209 788181815 /nfs/dbraw/zinc/18/18/15/788181815.db2.gz KFGGDTRRFVWIKX-GFCCVEGCSA-N 0 3 346.880 2.115 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1Cl ZINC000824474209 788181818 /nfs/dbraw/zinc/18/18/18/788181818.db2.gz KFGGDTRRFVWIKX-GFCCVEGCSA-N 0 3 346.880 2.115 20 10 EECDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000808173583 812517791 /nfs/dbraw/zinc/51/77/91/812517791.db2.gz BYNCPSAFWJEWED-HNNXBMFYSA-N 0 3 349.862 2.400 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)c1[O-] ZINC000808705517 812814184 /nfs/dbraw/zinc/81/41/84/812814184.db2.gz JEPAQMXWLPZVJP-GFCCVEGCSA-N 0 3 346.880 2.430 20 10 EECDHN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000291786220 529974927 /nfs/dbraw/zinc/97/49/27/529974927.db2.gz ADICSFYFLBXGDE-AWEZNQCLSA-N 0 3 334.441 2.011 20 10 EECDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000291786220 529974928 /nfs/dbraw/zinc/97/49/28/529974928.db2.gz ADICSFYFLBXGDE-AWEZNQCLSA-N 0 3 334.441 2.011 20 10 EECDHN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000090171219 237024559 /nfs/dbraw/zinc/02/45/59/237024559.db2.gz AOQXXAJKLGHAPJ-YOEHRIQHSA-N 0 3 341.459 2.251 20 10 EECDHN COc1cccc(CN(C)C[C@@H](O)COCc2ccccc2)c1O ZINC000092472486 237033449 /nfs/dbraw/zinc/03/34/49/237033449.db2.gz KREWZLOLTCBZGO-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN COc1cccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1[O-] ZINC000092472486 237033461 /nfs/dbraw/zinc/03/34/61/237033461.db2.gz KREWZLOLTCBZGO-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN COc1cccc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1[O-] ZINC000092472486 237033474 /nfs/dbraw/zinc/03/34/74/237033474.db2.gz KREWZLOLTCBZGO-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN CCn1nccc1N1CCC[C@@H](NCc2ccc(N(C)C)cc2)C1=O ZINC000191636526 237265707 /nfs/dbraw/zinc/26/57/07/237265707.db2.gz BSADRMQAVXYPOK-QGZVFWFLSA-N 0 3 341.459 2.254 20 10 EECDHN CN1CCCc2cc(CNC(=O)N3CC[C@@H](N4CCCC4)C3)ccc21 ZINC000066191704 462861441 /nfs/dbraw/zinc/86/14/41/462861441.db2.gz ZLTMNCUXGOVMHJ-GOSISDBHSA-N 0 3 342.487 2.449 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](C)CC1)cc2=O ZINC000068828793 463181042 /nfs/dbraw/zinc/18/10/42/463181042.db2.gz UPVKTLDKMVXZBY-GFCCVEGCSA-N 0 3 332.404 2.234 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc1OC ZINC000276979194 463828111 /nfs/dbraw/zinc/82/81/11/463828111.db2.gz FAVKFMUEEQTQJM-NSHDSACASA-N 0 3 340.420 2.412 20 10 EECDHN CN(c1ccc(CNC(=O)C[C@@H]2CNCCO2)cc1)C1CCCCC1 ZINC000269239326 463922499 /nfs/dbraw/zinc/92/24/99/463922499.db2.gz INEGMWGHURJPQQ-LJQANCHMSA-N 0 3 345.487 2.450 20 10 EECDHN C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc2c(cc1[O-])CCCC2 ZINC000186511282 464014824 /nfs/dbraw/zinc/01/48/24/464014824.db2.gz XMIIWGBINFULFI-LBPRGKRZSA-N 0 3 328.416 2.075 20 10 EECDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000222072707 464126580 /nfs/dbraw/zinc/12/65/80/464126580.db2.gz FASHVKNWZWXECV-KGLIPLIRSA-N 0 3 341.249 2.108 20 10 EECDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(C)cc1[O-] ZINC000280036777 464183733 /nfs/dbraw/zinc/18/37/33/464183733.db2.gz INSRHVWXWSOZSN-HZPDHXFCSA-N 0 3 328.416 2.280 20 10 EECDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000179879672 464202812 /nfs/dbraw/zinc/20/28/12/464202812.db2.gz PVALBECMDMJKAG-CRAIPNDOSA-N 0 3 326.440 2.462 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCC[NH2+]1 ZINC000236917659 464238855 /nfs/dbraw/zinc/23/88/55/464238855.db2.gz GYYNIOBTHJPPFC-LBPRGKRZSA-N 0 3 327.222 2.255 20 10 EECDHN CS[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1N1CCCC1 ZINC000275352367 464771202 /nfs/dbraw/zinc/77/12/02/464771202.db2.gz ZLGPFGOESPKTBM-KQTBYGHGSA-N 0 3 348.468 2.149 20 10 EECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](N)C1CCOCC1 ZINC000282387058 464798869 /nfs/dbraw/zinc/79/88/69/464798869.db2.gz XGDHXAUJSOCCFA-IBGZPJMESA-N 0 3 345.487 2.389 20 10 EECDHN CC[N@H+](CCOCCO)Cc1cc(Br)cc(C)c1[O-] ZINC000282785299 464948191 /nfs/dbraw/zinc/94/81/91/464948191.db2.gz QSDKJDBZJVOIGF-UHFFFAOYSA-N 0 3 332.238 2.294 20 10 EECDHN CC[N@@H+](CCOCCO)Cc1cc(Br)cc(C)c1[O-] ZINC000282785299 464948195 /nfs/dbraw/zinc/94/81/95/464948195.db2.gz QSDKJDBZJVOIGF-UHFFFAOYSA-N 0 3 332.238 2.294 20 10 EECDHN COC[C@@H]1CCCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000372103224 466163533 /nfs/dbraw/zinc/16/35/33/466163533.db2.gz QYFNBCMRCKCIBJ-GOSISDBHSA-N 0 3 347.503 2.460 20 10 EECDHN Cc1cccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1[O-] ZINC000362043036 466508759 /nfs/dbraw/zinc/50/87/59/466508759.db2.gz VPZPABQOOQASCX-HNNXBMFYSA-N 0 3 325.412 2.168 20 10 EECDHN COc1ccc(O)c(CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000734065047 577273265 /nfs/dbraw/zinc/27/32/65/577273265.db2.gz SOBDRHLDMHFTKH-ZIAGYGMSSA-N 0 3 335.448 2.463 20 10 EECDHN CCOCc1cc(CN[C@]2(CC(=O)OC)CCOC2)ccc1OC ZINC000766459352 577519735 /nfs/dbraw/zinc/51/97/35/577519735.db2.gz UOCVIJBMACVKLS-SFHVURJKSA-N 0 3 337.416 2.044 20 10 EECDHN CN1CCN(Cc2cc3c(cc2O)OC[C@H]3O)[C@H](c2ccccc2)C1 ZINC000768439280 577555689 /nfs/dbraw/zinc/55/56/89/577555689.db2.gz JUOFXMOXWBYNOD-PKOBYXMFSA-N 0 3 340.423 2.307 20 10 EECDHN CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768462184 577556261 /nfs/dbraw/zinc/55/62/61/577556261.db2.gz KYZGJTWFHYTMEH-DYVFJYSZSA-N 0 3 349.427 2.373 20 10 EECDHN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768462184 577556262 /nfs/dbraw/zinc/55/62/62/577556262.db2.gz KYZGJTWFHYTMEH-DYVFJYSZSA-N 0 3 349.427 2.373 20 10 EECDHN [O-]c1cc2c(cc1CN1CC[NH+](C3CCCCC3)CC1)[C@@H](O)CO2 ZINC000768463758 577556454 /nfs/dbraw/zinc/55/64/54/577556454.db2.gz WPVWJNQBMJGRMF-SFHVURJKSA-N 0 3 332.444 2.268 20 10 EECDHN CCOC(=O)C1(CNCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000770665548 577601237 /nfs/dbraw/zinc/60/12/37/577601237.db2.gz MNVHMTLPXKROAH-UHFFFAOYSA-N 0 3 336.407 2.095 20 10 EECDHN C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756394299 577843268 /nfs/dbraw/zinc/84/32/68/577843268.db2.gz CMBLRIQDUOXQBK-LBPRGKRZSA-N 0 3 327.419 2.347 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)c2c1c(F)ccc2[O-] ZINC000756758088 577849810 /nfs/dbraw/zinc/84/98/10/577849810.db2.gz GVIHMOZHZQBGJH-ZWNOBZJWSA-N 0 3 327.421 2.494 20 10 EECDHN Cc1cc(O)c(CN[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1C ZINC000742390525 577872221 /nfs/dbraw/zinc/87/22/21/577872221.db2.gz JVFFWOWRRDXPFP-BBRMVZONSA-N 0 3 328.416 2.026 20 10 EECDHN O=C(NCc1ccccc1O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000749941781 577984147 /nfs/dbraw/zinc/98/41/47/577984147.db2.gz OQHSENIFIBEBKF-QGZVFWFLSA-N 0 3 325.412 2.316 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc(Cl)n2C)N(C)C)cc1 ZINC000891245587 676238652 /nfs/dbraw/zinc/23/86/52/676238652.db2.gz HHNJCLVACIZIRZ-AWEZNQCLSA-N 0 3 349.866 2.172 20 10 EECDHN Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccn1C ZINC000891246663 676240960 /nfs/dbraw/zinc/24/09/60/676240960.db2.gz DMAQRYMYJAWNJW-GOSISDBHSA-N 0 3 328.460 2.432 20 10 EECDHN Cc1cc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891247912 676243032 /nfs/dbraw/zinc/24/30/32/676243032.db2.gz LHQGNRGIQJSGDT-KRWDZBQOSA-N 0 3 330.432 2.011 20 10 EECDHN C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891248914 676244887 /nfs/dbraw/zinc/24/48/87/676244887.db2.gz OOSBYFGQLOKKOW-IHETXDGRSA-N 0 3 333.476 2.285 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCCOC2)N(C)C)cc1 ZINC000891249113 676245074 /nfs/dbraw/zinc/24/50/74/676245074.db2.gz QDLZKLFVPOGSBC-CRAIPNDOSA-N 0 3 333.476 2.288 20 10 EECDHN CCn1nc(C)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252356 676249390 /nfs/dbraw/zinc/24/93/90/676249390.db2.gz JVDCWVBVAWIXFD-GOSISDBHSA-N 0 3 343.475 2.310 20 10 EECDHN Cc1[nH]nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891254253 676250638 /nfs/dbraw/zinc/25/06/38/676250638.db2.gz XXCIUNZIFACPQV-MRXNPFEDSA-N 0 3 329.448 2.125 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(C3CC3)n[nH]2)N(C)C)cc1 ZINC000891255285 676252880 /nfs/dbraw/zinc/25/28/80/676252880.db2.gz OJNLEJMOCCGDEM-SFHVURJKSA-N 0 3 341.459 2.386 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CC(F)F)N(C)C)cc1 ZINC000899102248 693606538 /nfs/dbraw/zinc/60/65/38/693606538.db2.gz OUXHHLWFLJNAOB-CQSZACIVSA-N 0 3 328.407 2.262 20 10 EECDHN CCOCCN1CC[C@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272636092 1190942539 /nfs/dbraw/zinc/94/25/39/1190942539.db2.gz BCZAYTHSYBRWRP-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273285098 1197953847 /nfs/dbraw/zinc/95/38/47/1197953847.db2.gz NSSKUTQFPHAUDM-HZPDHXFCSA-N 0 3 336.407 2.133 20 10 EECDHN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273285098 1197953854 /nfs/dbraw/zinc/95/38/54/1197953854.db2.gz NSSKUTQFPHAUDM-HZPDHXFCSA-N 0 3 336.407 2.133 20 10 EECDHN CNC(=O)[C@H](CC(C)C)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873098294 1198499223 /nfs/dbraw/zinc/49/92/23/1198499223.db2.gz NIORZBILYJBWKA-KRWDZBQOSA-N 0 3 344.459 2.190 20 10 EECDHN O=C(NCC(F)(F)F)N1CCC2(CN(Cc3ccccc3O)C2)C1 ZINC001275266554 1205294061 /nfs/dbraw/zinc/29/40/61/1205294061.db2.gz AONUUWBLEDAYPT-UHFFFAOYSA-N 0 3 343.349 2.172 20 10 EECDHN C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1[O-] ZINC000779008929 1208434614 /nfs/dbraw/zinc/43/46/14/1208434614.db2.gz FPJFHUKGARSBJY-UHFFFAOYSA-N 0 3 349.475 2.377 20 10 EECDHN C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1[O-] ZINC000779008929 1208434617 /nfs/dbraw/zinc/43/46/17/1208434617.db2.gz FPJFHUKGARSBJY-UHFFFAOYSA-N 0 3 349.475 2.377 20 10 EECDHN COc1ccc(N2CCN(CCCN[C@H](C)c3ncc[nH]3)CC2)cc1 ZINC000285724117 1229660326 /nfs/dbraw/zinc/66/03/26/1229660326.db2.gz QJCQVGUPBFDZRF-MRXNPFEDSA-N 0 3 343.475 2.281 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@@H](C(C)(C)C)C2=O)N(C)C)cc1 ZINC000900184799 1234073127 /nfs/dbraw/zinc/07/31/27/1234073127.db2.gz GLPPMYUUUKGWES-JKSUJKDBSA-N 0 3 346.475 2.322 20 10 EECDHN C[C@@H]1[C@@H](NC(=O)c2cccc(O)c2O)CCN1Cc1ccccc1 ZINC000383382415 1249527267 /nfs/dbraw/zinc/52/72/67/1249527267.db2.gz BTPOFDJGNYVEGD-CJNGLKHVSA-N 0 3 326.396 2.491 20 10 EECDHN CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001273769388 1285263906 /nfs/dbraw/zinc/26/39/06/1285263906.db2.gz IZUGODFMCMLVAP-FQEVSTJZSA-N 0 3 340.423 2.226 20 10 EECDHN CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001273769388 1285263913 /nfs/dbraw/zinc/26/39/13/1285263913.db2.gz IZUGODFMCMLVAP-FQEVSTJZSA-N 0 3 340.423 2.226 20 10 EECDHN CC[C@H](C)NC(=O)[C@@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001273842256 1286682122 /nfs/dbraw/zinc/68/21/22/1286682122.db2.gz BRIBGKHCTGKEGE-JSGCOSHPSA-N 0 3 348.443 2.320 20 10 EECDHN O=C1c2cccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)c2C(=O)c2cccc([O-])c21 ZINC001218330893 1297633563 /nfs/dbraw/zinc/63/35/63/1297633563.db2.gz OZVNTBYKEAQZGK-CKUKBARFSA-N 0 3 335.359 2.154 20 10 EECDHN O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1[O-])N1CCCCO1 ZINC001277445161 1303052959 /nfs/dbraw/zinc/05/29/59/1303052959.db2.gz BLFNQYLMDHWSFG-IDCJVQTKSA-N 0 3 330.428 2.451 20 10 EECDHN Cc1c[nH+]ccc1N1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231454434 1303803739 /nfs/dbraw/zinc/80/37/39/1303803739.db2.gz WXJSELXGYYNHJK-UHFFFAOYSA-N 0 3 327.384 2.116 20 10 EECDHN COc1cc(Cl)cc(CN2CCN(CCC(C)(C)O)CC2)c1O ZINC001233290485 1304418910 /nfs/dbraw/zinc/41/89/10/1304418910.db2.gz FAYBQCHYBXGZOD-UHFFFAOYSA-N 0 3 342.867 2.333 20 10 EECDHN COCCN1C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@@H]2C1=O ZINC001235678404 1305325952 /nfs/dbraw/zinc/32/59/52/1305325952.db2.gz HJZKJEMIZHKHQN-RDJZCZTQSA-N 0 3 346.471 2.226 20 10 EECDHN COCCN1C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C[C@@H]2C1=O ZINC001235678404 1305325962 /nfs/dbraw/zinc/32/59/62/1305325962.db2.gz HJZKJEMIZHKHQN-RDJZCZTQSA-N 0 3 346.471 2.226 20 10 EECDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(O)c(Br)cc1O ZINC001236765584 1305666434 /nfs/dbraw/zinc/66/64/34/1305666434.db2.gz GVVFXTNDKXUTQX-VHSXEESVSA-N 0 3 329.238 2.385 20 10 EECDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236830146 1305690657 /nfs/dbraw/zinc/69/06/57/1305690657.db2.gz MNDOOQFYZGFJDW-UYAOXDASSA-N 0 3 340.423 2.272 20 10 EECDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001236830146 1305690665 /nfs/dbraw/zinc/69/06/65/1305690665.db2.gz MNDOOQFYZGFJDW-UYAOXDASSA-N 0 3 340.423 2.272 20 10 EECDHN CN1CCN(c2ccc(CN[C@@H]3CCCc4c[nH]nc43)cc2F)CC1 ZINC001116288869 1305870831 /nfs/dbraw/zinc/87/08/31/1305870831.db2.gz NGZXHFDVGWMMSD-QGZVFWFLSA-N 0 3 343.450 2.468 20 10 EECDHN OC[C@@]1(F)CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660440 1314923504 /nfs/dbraw/zinc/92/35/04/1314923504.db2.gz RQWLKBNXNWLDPO-GOSISDBHSA-N 0 3 340.414 2.349 20 10 EECDHN Cc1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c(O)c1 ZINC001140953791 1314995607 /nfs/dbraw/zinc/99/56/07/1314995607.db2.gz GRBNVUPGHIGTGP-MRXNPFEDSA-N 0 3 348.443 2.426 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC000840957578 1315446233 /nfs/dbraw/zinc/44/62/33/1315446233.db2.gz LAGZMGOSCCJNAM-LLVKDONJSA-N 0 3 341.249 2.373 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC000840957578 1315446237 /nfs/dbraw/zinc/44/62/37/1315446237.db2.gz LAGZMGOSCCJNAM-LLVKDONJSA-N 0 3 341.249 2.373 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000840976517 1315450224 /nfs/dbraw/zinc/45/02/24/1315450224.db2.gz XGNBPJMEWCIIJY-MJGOQNOKSA-N 0 3 343.423 2.146 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000840976517 1315450226 /nfs/dbraw/zinc/45/02/26/1315450226.db2.gz XGNBPJMEWCIIJY-MJGOQNOKSA-N 0 3 343.423 2.146 20 10 EECDHN COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)NC[C@H]3C)CC2)cc1 ZINC000841779372 1315611930 /nfs/dbraw/zinc/61/19/30/1315611930.db2.gz QSWKPXUYMZQGHB-HUUCEWRRSA-N 0 3 346.475 2.056 20 10 EECDHN COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843435653 1315915479 /nfs/dbraw/zinc/91/54/79/1315915479.db2.gz XANRCRZKCCCZQI-QZTJIDSGSA-N 0 3 341.407 2.415 20 10 EECDHN COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843435653 1315915482 /nfs/dbraw/zinc/91/54/82/1315915482.db2.gz XANRCRZKCCCZQI-QZTJIDSGSA-N 0 3 341.407 2.415 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001249214244 1317024594 /nfs/dbraw/zinc/02/45/94/1317024594.db2.gz IZKIEQIHJUASKB-OAHLLOKOSA-N 0 3 345.399 2.179 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001249214244 1317024603 /nfs/dbraw/zinc/02/46/03/1317024603.db2.gz IZKIEQIHJUASKB-OAHLLOKOSA-N 0 3 345.399 2.179 20 10 EECDHN COc1cnc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c(C)c1 ZINC001249340299 1317056633 /nfs/dbraw/zinc/05/66/33/1317056633.db2.gz XPQKTFDXQHZGDL-CYBMUJFWSA-N 0 3 326.356 2.397 20 10 EECDHN COc1ccc(CN2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)c(O)c1 ZINC001203621329 1321924353 /nfs/dbraw/zinc/92/43/53/1321924353.db2.gz ANBVPBBSCOTOHD-AFAVFJNCSA-N 0 3 345.399 2.444 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001203623228 1321924987 /nfs/dbraw/zinc/92/49/87/1321924987.db2.gz MZTBFDWJFAWUEE-SFHVURJKSA-N 0 3 326.400 2.046 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001203623228 1321924989 /nfs/dbraw/zinc/92/49/89/1321924989.db2.gz MZTBFDWJFAWUEE-SFHVURJKSA-N 0 3 326.400 2.046 20 10 EECDHN CCN(CC)c1ccc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)cc1 ZINC001203940548 1321994876 /nfs/dbraw/zinc/99/48/76/1321994876.db2.gz PJVJPTBCFHSPHB-GUDVDZBRSA-N 0 3 345.487 2.353 20 10 EECDHN Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccc(O)cc4O)C[C@H]3O2)n1 ZINC001204272985 1322098471 /nfs/dbraw/zinc/09/84/71/1322098471.db2.gz INPOWANEIBJLBW-IUIKQTSFSA-N 0 3 331.372 2.141 20 10 EECDHN CC(=O)OC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001323312058 1333438450 /nfs/dbraw/zinc/43/84/50/1333438450.db2.gz ZDRUMLGWRFJNGT-UHFFFAOYSA-N 0 3 349.450 2.105 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](N)C1CCCCC1 ZINC001328592433 1334485272 /nfs/dbraw/zinc/48/52/72/1334485272.db2.gz UOLVGRFFUOMWHY-LJQANCHMSA-N 0 3 345.487 2.389 20 10 EECDHN COCC[C@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000798940370 1371621953 /nfs/dbraw/zinc/62/19/53/1371621953.db2.gz GFVQESVCAGZHTK-UONOGXRCSA-N 0 3 342.867 2.225 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3ncncc3C)C2)c(OC)c1 ZINC001141032956 1372745824 /nfs/dbraw/zinc/74/58/24/1372745824.db2.gz UWVIIZUGZPPECL-ZDUSSCGKSA-N 0 3 345.399 2.161 20 10 EECDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)n1-c1ccccc1C ZINC000818008040 785163923 /nfs/dbraw/zinc/16/39/23/785163923.db2.gz NZCCSBIYBXHTML-INIZCTEOSA-N 0 3 327.428 2.121 20 10 EECDHN C[C@@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)cc2)c2nccn21 ZINC000825017763 788396659 /nfs/dbraw/zinc/39/66/59/788396659.db2.gz YUWBMWWNTICMTG-QAPCUYQASA-N 0 3 325.460 2.431 20 10 EECDHN COc1cc(CN(C)CCNC(=O)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000825413324 788622123 /nfs/dbraw/zinc/62/21/23/788622123.db2.gz UYKPKPFVXACAIM-UHFFFAOYSA-N 0 3 337.464 2.401 20 10 EECDHN CCOc1cccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1[O-] ZINC000527768899 317260266 /nfs/dbraw/zinc/26/02/66/317260266.db2.gz GYFCNPKUCTVMMO-IBGZPJMESA-N 0 3 329.396 2.247 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000296564619 465224854 /nfs/dbraw/zinc/22/48/54/465224854.db2.gz LCUFRSZHSAGUSM-LJQANCHMSA-N 0 3 330.476 2.380 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)C2CCC(CO)CC2)cc1 ZINC000089923860 462743001 /nfs/dbraw/zinc/74/30/01/462743001.db2.gz GQMXTIREDWLMGB-UHFFFAOYSA-N 0 3 347.503 2.194 20 10 EECDHN COc1cccc(COC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000121144155 463087409 /nfs/dbraw/zinc/08/74/09/463087409.db2.gz DTJFAWIVCGKRPO-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN COc1cccc(COC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000121144155 463087413 /nfs/dbraw/zinc/08/74/13/463087413.db2.gz DTJFAWIVCGKRPO-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCc2cccnc2N2CCOCC2)c1 ZINC000184986264 463730531 /nfs/dbraw/zinc/73/05/31/463730531.db2.gz OFAPHDBDURNAIR-CQSZACIVSA-N 0 3 343.427 2.483 20 10 EECDHN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185007161 463736335 /nfs/dbraw/zinc/73/63/35/463736335.db2.gz RYDFZHSSRLWXMJ-OAHLLOKOSA-N 0 3 333.476 2.342 20 10 EECDHN CCOc1cccc(CN2CCN(C3CCOCC3)C[C@@H]2C)c1O ZINC000278737931 463979224 /nfs/dbraw/zinc/97/92/24/463979224.db2.gz RPBBRZSVRJCYJB-HNNXBMFYSA-N 0 3 334.460 2.476 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1F ZINC000272457363 464618864 /nfs/dbraw/zinc/61/88/64/464618864.db2.gz NRKFYPUGKJHPFD-WMLDXEAASA-N 0 3 334.439 2.127 20 10 EECDHN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000285773362 464690120 /nfs/dbraw/zinc/69/01/20/464690120.db2.gz DNPMKFZPFPMXKB-BLLLJJGKSA-N 0 3 336.407 2.029 20 10 EECDHN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000285773362 464690125 /nfs/dbraw/zinc/69/01/25/464690125.db2.gz DNPMKFZPFPMXKB-BLLLJJGKSA-N 0 3 336.407 2.029 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C3CC3)CC1)cc2=O ZINC000368329342 466597787 /nfs/dbraw/zinc/59/77/87/466597787.db2.gz JVDBNVLEUGMCBW-UHFFFAOYSA-N 0 3 344.415 2.234 20 10 EECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CCOCC2)C1=O ZINC000370057618 466765925 /nfs/dbraw/zinc/76/59/25/466765925.db2.gz YOLVAIDTIDXULJ-KRWDZBQOSA-N 0 3 332.444 2.384 20 10 EECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CCOCC2)C1=O ZINC000370057618 466765930 /nfs/dbraw/zinc/76/59/30/466765930.db2.gz YOLVAIDTIDXULJ-KRWDZBQOSA-N 0 3 332.444 2.384 20 10 EECDHN C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000777113700 577473426 /nfs/dbraw/zinc/47/34/26/577473426.db2.gz HWPYYIPDZNYPMD-SUNYJGFJSA-N 0 3 341.459 2.331 20 10 EECDHN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000765502334 577502058 /nfs/dbraw/zinc/50/20/58/577502058.db2.gz XAHTXVXJHJJKMN-HNNXBMFYSA-N 0 3 333.432 2.217 20 10 EECDHN CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000766033380 577511484 /nfs/dbraw/zinc/51/14/84/577511484.db2.gz YPUUGZAIZXKPNK-GUYCJALGSA-N 0 3 349.427 2.372 20 10 EECDHN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000766033380 577511485 /nfs/dbraw/zinc/51/14/85/577511485.db2.gz YPUUGZAIZXKPNK-GUYCJALGSA-N 0 3 349.427 2.372 20 10 EECDHN [O-]c1cc2c(cc1CN1CC[C@@H](C[NH+]3CCCCC3)C1)[C@H](O)CO2 ZINC000768466126 577556602 /nfs/dbraw/zinc/55/66/02/577556602.db2.gz MPLOORZIJUGFMG-KBXCAEBGSA-N 0 3 332.444 2.126 20 10 EECDHN C[C@@H](NC[C@@H]1CC2(CC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000763734794 577725471 /nfs/dbraw/zinc/72/54/71/577725471.db2.gz NVFNYFBXHPIMRH-PBHICJAKSA-N 0 3 330.428 2.270 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c2c1c(F)ccc2[O-] ZINC000756734519 577849565 /nfs/dbraw/zinc/84/95/65/577849565.db2.gz XNQROQAJBWYKSJ-LERXQTSPSA-N 0 3 344.390 2.208 20 10 EECDHN COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1-c1nnn[n-]1 ZINC000826203068 607568680 /nfs/dbraw/zinc/56/86/80/607568680.db2.gz YDIAEFDWUVZDPL-UHFFFAOYSA-N 0 3 339.399 2.488 20 10 EECDHN COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1-c1nn[n-]n1 ZINC000826203068 607568682 /nfs/dbraw/zinc/56/86/82/607568682.db2.gz YDIAEFDWUVZDPL-UHFFFAOYSA-N 0 3 339.399 2.488 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\[C@@H]2CCOC2)N(C)C)cc1 ZINC000891246230 676239580 /nfs/dbraw/zinc/23/95/80/676239580.db2.gz AYCDKHNENVIBOZ-NOMXZGQMSA-N 0 3 331.460 2.064 20 10 EECDHN CC1=C(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)SCCO1 ZINC000891249010 676245203 /nfs/dbraw/zinc/24/52/03/676245203.db2.gz OXXHFFOAFZANQP-INIZCTEOSA-N 0 3 349.500 2.466 20 10 EECDHN Cc1cc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891252737 676248475 /nfs/dbraw/zinc/24/84/75/676248475.db2.gz NHFXAGRHKYCGEI-QGZVFWFLSA-N 0 3 330.432 2.011 20 10 EECDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCOC1 ZINC000893242561 684227138 /nfs/dbraw/zinc/22/71/38/684227138.db2.gz YUPVWPXZZIEJMG-QILLFSRXSA-N 0 3 348.491 2.080 20 10 EECDHN COCC(C)(C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101723 693606473 /nfs/dbraw/zinc/60/64/73/693606473.db2.gz LDIFPXOURGIRSZ-INIZCTEOSA-N 0 3 336.480 2.080 20 10 EECDHN C[C@H]1COCCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103908 693607365 /nfs/dbraw/zinc/60/73/65/693607365.db2.gz PCCCIKJXROGMLQ-MAUKXSAKSA-N 0 3 348.491 2.176 20 10 EECDHN CN(C)c1cccnc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000810167874 1199306882 /nfs/dbraw/zinc/30/68/82/1199306882.db2.gz PRIUFNUBSYTDJW-UHFFFAOYSA-N 0 3 339.487 2.189 20 10 EECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000877026993 1199848095 /nfs/dbraw/zinc/84/80/95/1199848095.db2.gz KTIKNUGEMSSZIY-CQSZACIVSA-N 0 3 325.412 2.168 20 10 EECDHN COc1ccc(C[C@H](CO)C[NH2+]Cc2c(C)cccc2[O-])cc1O ZINC000877527901 1199957145 /nfs/dbraw/zinc/95/71/45/1199957145.db2.gz UAYNXYGPOKSYOJ-HNNXBMFYSA-N 0 3 331.412 2.356 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000877577511 1199971145 /nfs/dbraw/zinc/97/11/45/1199971145.db2.gz GFWNCYCRDLLRQR-CQSZACIVSA-N 0 3 336.432 2.426 20 10 EECDHN CC(C)(C)N1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000877603063 1199978422 /nfs/dbraw/zinc/97/84/22/1199978422.db2.gz DECHMVZVHDDRBW-GOSISDBHSA-N 0 3 345.487 2.137 20 10 EECDHN COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877621548 1199988549 /nfs/dbraw/zinc/98/85/49/1199988549.db2.gz YJLRGBVRABAZGJ-SFHVURJKSA-N 0 3 345.439 2.419 20 10 EECDHN CN(Cc1cccs1)c1ccc(CN2CCN(C)C[C@@H]2CO)cc1 ZINC000877644895 1200003431 /nfs/dbraw/zinc/00/34/31/1200003431.db2.gz VBYKYNBTSZJVAY-GOSISDBHSA-N 0 3 345.512 2.493 20 10 EECDHN CCN(CC)c1ccc(CN(C)C(=O)CNC[C@@H]2CCCO2)cc1 ZINC000826019854 1200243785 /nfs/dbraw/zinc/24/37/85/1200243785.db2.gz LMYWKAYFWVUPKO-SFHVURJKSA-N 0 3 333.476 2.260 20 10 EECDHN COc1cccc([C@H](C)NC[C@H](n2cncn2)C(F)(F)F)c1O ZINC000866436021 1201516947 /nfs/dbraw/zinc/51/69/47/1201516947.db2.gz IVUYRTYGRBQZOH-CABZTGNLSA-N 0 3 330.310 2.447 20 10 EECDHN CCN(CC)c1ccc(CNS(=O)(=O)CCCN(C)C)cc1F ZINC000866754060 1201597383 /nfs/dbraw/zinc/59/73/83/1201597383.db2.gz CZVVLJHQRLTLMK-UHFFFAOYSA-N 0 3 345.484 2.043 20 10 EECDHN CC(C)NC(=O)N1CCO[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001275267840 1205294628 /nfs/dbraw/zinc/29/46/28/1205294628.db2.gz YPJSGLURGZESTD-IBGZPJMESA-N 0 3 347.459 2.177 20 10 EECDHN CC(C)NC(=O)N1CCO[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001275267840 1205294629 /nfs/dbraw/zinc/29/46/29/1205294629.db2.gz YPJSGLURGZESTD-IBGZPJMESA-N 0 3 347.459 2.177 20 10 EECDHN Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC000930617827 1206570900 /nfs/dbraw/zinc/57/09/00/1206570900.db2.gz SECMFASSJBUZBB-GOSISDBHSA-N 0 3 341.459 2.302 20 10 EECDHN CC(=O)c1cc(Cl)cc(CN2CCC(O)(C[NH+](C)C)CC2)c1[O-] ZINC000931485657 1207394546 /nfs/dbraw/zinc/39/45/46/1207394546.db2.gz PBBHYJUZEZRXJP-UHFFFAOYSA-N 0 3 340.851 2.137 20 10 EECDHN CC[C@@]1(C)NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185599 1234073845 /nfs/dbraw/zinc/07/38/45/1234073845.db2.gz PBOOQNZGGCVYHX-CRAIPNDOSA-N 0 3 332.448 2.076 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)cc1 ZINC001047208534 1235672364 /nfs/dbraw/zinc/67/23/64/1235672364.db2.gz IHXBENGSSKJTTD-GLQYFDAESA-N 0 3 347.394 2.401 20 10 EECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000802655496 1237931635 /nfs/dbraw/zinc/93/16/35/1237931635.db2.gz YVYCUILAKLURHN-MRXNPFEDSA-N 0 3 334.460 2.335 20 10 EECDHN CCOc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000802655496 1237931644 /nfs/dbraw/zinc/93/16/44/1237931644.db2.gz YVYCUILAKLURHN-MRXNPFEDSA-N 0 3 334.460 2.335 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]([NH3+])CC(F)F ZINC000903892871 1242359262 /nfs/dbraw/zinc/35/92/62/1242359262.db2.gz OACQNUVMCPZJTM-LLVKDONJSA-N 0 3 336.766 2.003 20 10 EECDHN Cc1ccc(O)c(CNCC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000858304905 1294076125 /nfs/dbraw/zinc/07/61/25/1294076125.db2.gz KPHFPGNYGPXURW-UHFFFAOYSA-N 0 3 328.368 2.200 20 10 EECDHN CN(C)c1cc(F)c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1F ZINC000862239146 1295766668 /nfs/dbraw/zinc/76/66/68/1295766668.db2.gz XGOUQSJJPHEKAX-AEFFLSMTSA-N 0 3 339.430 2.062 20 10 EECDHN O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)cc1[O-])N1CCCCO1 ZINC001277196991 1301768163 /nfs/dbraw/zinc/76/81/63/1301768163.db2.gz UHDFUPCKMPYAJK-XLQHLMKVSA-N 0 3 346.427 2.156 20 10 EECDHN Cn1ccnc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001277441518 1303029910 /nfs/dbraw/zinc/02/99/10/1303029910.db2.gz MVAANIKBCNRVPI-OSRSDYAFSA-N 0 3 340.427 2.269 20 10 EECDHN COC(=O)c1c(CN2CC[C@H]3COC[C@@H]3C2)c2ccccc2n1C ZINC001232406052 1304109947 /nfs/dbraw/zinc/10/99/47/1304109947.db2.gz RVVTWLYPIRPOMG-KBPBESRZSA-N 0 3 328.412 2.433 20 10 EECDHN [O-]c1c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cccc1OC(F)(F)F ZINC001233761017 1304581321 /nfs/dbraw/zinc/58/13/21/1304581321.db2.gz NUTCCFSSSMEIFV-CYBMUJFWSA-N 0 3 346.349 2.197 20 10 EECDHN [O-]c1c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cccc1OC(F)(F)F ZINC001233761017 1304581325 /nfs/dbraw/zinc/58/13/25/1304581325.db2.gz NUTCCFSSSMEIFV-CYBMUJFWSA-N 0 3 346.349 2.197 20 10 EECDHN CCOC(=O)NC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236753367 1305659265 /nfs/dbraw/zinc/65/92/65/1305659265.db2.gz MIPMDZSGWXDVDU-UHFFFAOYSA-N 0 3 338.404 2.120 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCCN(C(C)=O)[C@H]3CC2)c([O-])c1 ZINC001236785569 1305674099 /nfs/dbraw/zinc/67/40/99/1305674099.db2.gz KWMVNIWZUWUYAR-PKOBYXMFSA-N 0 3 332.444 2.166 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@H]3OCCN(C(C)=O)[C@H]3CC2)c([O-])c1 ZINC001236785569 1305674109 /nfs/dbraw/zinc/67/41/09/1305674109.db2.gz KWMVNIWZUWUYAR-PKOBYXMFSA-N 0 3 332.444 2.166 20 10 EECDHN C[C@H]1C[C@H](C)CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209622 1305847856 /nfs/dbraw/zinc/84/78/56/1305847856.db2.gz JQJYGAVAZXKOSQ-HOTGVXAUSA-N 0 3 336.501 2.399 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@@H]2C1 ZINC001237487580 1305956185 /nfs/dbraw/zinc/95/61/85/1305956185.db2.gz BSTXRNGNIBPZCE-NUJGCVRESA-N 0 3 346.471 2.310 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@@H]2C1 ZINC001237487580 1305956189 /nfs/dbraw/zinc/95/61/89/1305956189.db2.gz BSTXRNGNIBPZCE-NUJGCVRESA-N 0 3 346.471 2.310 20 10 EECDHN Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4c(C)cccc4[O-])C[C@H]3O2)n1 ZINC001237487936 1305956296 /nfs/dbraw/zinc/95/62/96/1305956296.db2.gz GLFNNKFZKIRYKD-JJRVBVJISA-N 0 3 329.400 2.224 20 10 EECDHN Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4c(C)cccc4[O-])C[C@H]3O2)n1 ZINC001237487936 1305956300 /nfs/dbraw/zinc/95/63/00/1305956300.db2.gz GLFNNKFZKIRYKD-JJRVBVJISA-N 0 3 329.400 2.224 20 10 EECDHN COc1cc(CN2CCC[C@@]3(CCCC(=O)N3)C2)c(O)c(OC)c1 ZINC001237673728 1306038848 /nfs/dbraw/zinc/03/88/48/1306038848.db2.gz MPSTWFIMGXXWMB-SFHVURJKSA-N 0 3 334.416 2.044 20 10 EECDHN COCn1ncc(C)c1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001117656410 1306140250 /nfs/dbraw/zinc/14/02/50/1306140250.db2.gz LIGHYAFZMCQBIS-INIZCTEOSA-N 0 3 344.459 2.483 20 10 EECDHN NC(=O)NC1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074908 1315036457 /nfs/dbraw/zinc/03/64/57/1315036457.db2.gz WMNIYCWCHZMHPJ-UHFFFAOYSA-N 0 3 328.460 2.018 20 10 EECDHN O=C(NCCCSc1nccs1)Nc1cnc2c(c1)CNCC2 ZINC000841321463 1315530187 /nfs/dbraw/zinc/53/01/87/1315530187.db2.gz JKMLNXQWPDBJLF-UHFFFAOYSA-N 0 3 349.485 2.488 20 10 EECDHN Cc1ncsc1CNCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153047986 1316767051 /nfs/dbraw/zinc/76/70/51/1316767051.db2.gz PEAYIUDHPDYJNC-UHFFFAOYSA-N 0 3 346.416 2.134 20 10 EECDHN CNC(=O)NC1CC[NH+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC1 ZINC001249258332 1317036288 /nfs/dbraw/zinc/03/62/88/1317036288.db2.gz GMMBLBIGVSFAIU-UHFFFAOYSA-N 0 3 345.443 2.470 20 10 EECDHN CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)[C@@H](N)CN ZINC001160929895 1320319783 /nfs/dbraw/zinc/31/97/83/1320319783.db2.gz NZBYKPCAPWAJFJ-NRFANRHFSA-N 0 3 349.478 2.351 20 10 EECDHN Cn1cc([C@H]2COC3(C2)CCN(Cc2ccc(O)c(O)c2)CC3)cn1 ZINC001203878173 1321981330 /nfs/dbraw/zinc/98/13/30/1321981330.db2.gz QLPWSHQBKOIDHB-OAHLLOKOSA-N 0 3 343.427 2.370 20 10 EECDHN O=C1N(c2cccnc2)CC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204272711 1322099481 /nfs/dbraw/zinc/09/94/81/1322099481.db2.gz HPQCOQINWYJCQQ-LJQANCHMSA-N 0 3 339.395 2.122 20 10 EECDHN O=C1N(c2cccnc2)CC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204272711 1322099485 /nfs/dbraw/zinc/09/94/85/1322099485.db2.gz HPQCOQINWYJCQQ-LJQANCHMSA-N 0 3 339.395 2.122 20 10 EECDHN Cc1ncccc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001262350997 1322287061 /nfs/dbraw/zinc/28/70/61/1322287061.db2.gz MMWCVMAKXMIGIU-IBGZPJMESA-N 0 3 340.471 2.418 20 10 EECDHN CC(C)(C)OC(=O)N1CCC(O)(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000705092845 1323818493 /nfs/dbraw/zinc/81/84/93/1323818493.db2.gz SWOUOIAQNJIWOH-UHFFFAOYSA-N 0 3 336.432 2.244 20 10 EECDHN CCc1nn(C)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001351906187 1337865506 /nfs/dbraw/zinc/86/55/06/1337865506.db2.gz ROJRLBIYMSXSJT-SFHVURJKSA-N 0 3 343.475 2.081 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@]2(C)CCOC2)N(C)C)cc1 ZINC001121911100 1371933055 /nfs/dbraw/zinc/93/30/55/1371933055.db2.gz RHAHTCFVHIYLBZ-HKUYNNGSSA-N 0 3 348.491 2.081 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)c([O-])c1 ZINC000840781886 782982131 /nfs/dbraw/zinc/98/21/31/782982131.db2.gz YSONSIRJOAYGES-MRXNPFEDSA-N 0 3 334.460 2.233 20 10 EECDHN CS[C@@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893796726 780180358 /nfs/dbraw/zinc/18/03/58/780180358.db2.gz BCTYTFOQYYCCAA-BBRMVZONSA-N 0 3 338.521 2.406 20 10 EECDHN CNC(=O)CCCN(C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894061427 780482298 /nfs/dbraw/zinc/48/22/98/780482298.db2.gz ACXQLXUKDUJBPE-UHFFFAOYSA-N 0 3 349.406 2.062 20 10 EECDHN CCOC(=O)CN(CCCc1cncn1C)Cc1ccccc1O ZINC000846999508 790808622 /nfs/dbraw/zinc/80/86/22/790808622.db2.gz CPQWKIWYUWTHGH-UHFFFAOYSA-N 0 3 331.416 2.124 20 10 EECDHN COC1CCN(c2ccc(CN3CC[C@@H](NC(C)=O)C3)cc2)CC1 ZINC000817281693 784623733 /nfs/dbraw/zinc/62/37/33/784623733.db2.gz ZSTMXXIWGCWQJC-QGZVFWFLSA-N 0 3 331.460 2.012 20 10 EECDHN C[C@H](NCc1cnc2n1CCOC2)c1ccc(N2CCOCC2)cc1 ZINC000921591694 789793062 /nfs/dbraw/zinc/79/30/62/789793062.db2.gz KIEZLIPPWQMXSK-HNNXBMFYSA-N 0 3 342.443 2.101 20 10 EECDHN O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589645 792574145 /nfs/dbraw/zinc/57/41/45/792574145.db2.gz FYBFCMHHHATPCH-OAHLLOKOSA-N 0 3 342.395 2.370 20 10 EECDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000296586040 465225753 /nfs/dbraw/zinc/22/57/53/465225753.db2.gz UQUCDPDJISEMBN-ZFWWWQNUSA-N 0 3 327.494 2.121 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCN3)cc2F)C[C@@H](C)O1 ZINC000269260830 463931559 /nfs/dbraw/zinc/93/15/59/463931559.db2.gz WHPHSBTVZCZHTH-CPUCHLNUSA-N 0 3 349.450 2.198 20 10 EECDHN COc1ccc(CNCCNS(=O)(=O)c2cccs2)cc1C ZINC000269511803 464006039 /nfs/dbraw/zinc/00/60/39/464006039.db2.gz SNFMCVISSUYZFR-UHFFFAOYSA-N 0 3 340.470 2.133 20 10 EECDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1cc2c(cc1O)OCO2 ZINC000271153058 464284704 /nfs/dbraw/zinc/28/47/04/464284704.db2.gz CCLHNBBOGYGJFY-NSHDSACASA-N 0 3 338.404 2.466 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN(CCCO)CC(C)(C)C)cc1 ZINC000264420873 464318696 /nfs/dbraw/zinc/31/86/96/464318696.db2.gz LPAFDKQRAYGQKC-UHFFFAOYSA-N 0 3 349.519 2.442 20 10 EECDHN CC[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(C)cc1[O-] ZINC000281249622 464387064 /nfs/dbraw/zinc/38/70/64/464387064.db2.gz VVDUBSFENFVPJI-BBRMVZONSA-N 0 3 342.443 2.299 20 10 EECDHN CN(Cc1cccs1)c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000295339683 464793989 /nfs/dbraw/zinc/79/39/89/464793989.db2.gz HWYSPRDIEOOPAO-IRXDYDNUSA-N 0 3 332.469 2.312 20 10 EECDHN COc1cc(Cl)cc(CN2CCC([N@H+](C)CCCO)CC2)c1[O-] ZINC000184693940 465019051 /nfs/dbraw/zinc/01/90/51/465019051.db2.gz VRTMDWILZFOAJM-UHFFFAOYSA-N 0 3 342.867 2.333 20 10 EECDHN COc1cc(Cl)cc(CN2CCC([N@@H+](C)CCCO)CC2)c1[O-] ZINC000184693940 465019054 /nfs/dbraw/zinc/01/90/54/465019054.db2.gz VRTMDWILZFOAJM-UHFFFAOYSA-N 0 3 342.867 2.333 20 10 EECDHN OC[C@@]1(NCc2ccc3c(c2)CCN3Cc2ccccc2)CCOC1 ZINC000368506431 466652521 /nfs/dbraw/zinc/65/25/21/466652521.db2.gz DCMAQUJIMPZXEL-NRFANRHFSA-N 0 3 338.451 2.490 20 10 EECDHN CC(C)N(CCN1C(=O)NC(C)(C)C1=O)Cc1ccc(N(C)C)cc1 ZINC000298720640 519646063 /nfs/dbraw/zinc/64/60/63/519646063.db2.gz OQBIDWCGSUQWFY-UHFFFAOYSA-N 0 3 346.475 2.293 20 10 EECDHN COc1cccc(CNCc2cccc(NS(C)(=O)=O)c2)c1O ZINC000725845305 576065205 /nfs/dbraw/zinc/06/52/05/576065205.db2.gz USJRYGFEFUCMEM-UHFFFAOYSA-N 0 3 336.413 2.062 20 10 EECDHN CN1CCN(c2ccc(CN[C@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000771845863 577233978 /nfs/dbraw/zinc/23/39/78/577233978.db2.gz JIKKYGOFUBWEEP-SFHVURJKSA-N 0 3 325.460 2.329 20 10 EECDHN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000776001044 577450394 /nfs/dbraw/zinc/45/03/94/577450394.db2.gz OJNNLPYAFPGMQU-LPHOPBHVSA-N 0 3 345.487 2.212 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000769107014 577569791 /nfs/dbraw/zinc/56/97/91/577569791.db2.gz JBYLWGZMPKNGPD-BZUAXINKSA-N 0 3 334.460 2.474 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000769107014 577569792 /nfs/dbraw/zinc/56/97/92/577569792.db2.gz JBYLWGZMPKNGPD-BZUAXINKSA-N 0 3 334.460 2.474 20 10 EECDHN CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(C)c(C)cc2[O-])CC1 ZINC000742367450 577871905 /nfs/dbraw/zinc/87/19/05/577871905.db2.gz UZSZKMGMMFFUMZ-UHFFFAOYSA-N 0 3 340.489 2.303 20 10 EECDHN COc1cc(C[C@H](CO)C[NH2+]Cc2ccccc2[O-])cc(OC)c1 ZINC000747621866 577947015 /nfs/dbraw/zinc/94/70/15/577947015.db2.gz CTIMMPAKUHCHHC-HNNXBMFYSA-N 0 3 331.412 2.350 20 10 EECDHN CN1CCC(NC(=S)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000740629769 578102176 /nfs/dbraw/zinc/10/21/76/578102176.db2.gz JLCQHAHYAJCVQE-UHFFFAOYSA-N 0 3 330.501 2.121 20 10 EECDHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000741139246 578113289 /nfs/dbraw/zinc/11/32/89/578113289.db2.gz JHYINQSHIXHFTR-IRXDYDNUSA-N 0 3 345.487 2.354 20 10 EECDHN C[C@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)n1ccnc1 ZINC000891246889 676240403 /nfs/dbraw/zinc/24/04/03/676240403.db2.gz QROOZGIBFNNBMA-CRAIPNDOSA-N 0 3 343.475 2.319 20 10 EECDHN C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248455 676242414 /nfs/dbraw/zinc/24/24/14/676242414.db2.gz MXTBRKRARYWWEA-KBXCAEBGSA-N 0 3 343.475 2.073 20 10 EECDHN C[C@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)n1cccn1 ZINC000891250627 676245457 /nfs/dbraw/zinc/24/54/57/676245457.db2.gz YRXUAQRXLBCDOW-CRAIPNDOSA-N 0 3 343.475 2.319 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccoc2)N(C)C)cc1 ZINC000892308169 678673850 /nfs/dbraw/zinc/67/38/50/678673850.db2.gz SZHMTIHLGAZDFD-QGZVFWFLSA-N 0 3 330.432 2.448 20 10 EECDHN COc1ccc(N2CCN(CCCNCc3ocnc3C)CC2)cc1 ZINC000894152776 681790581 /nfs/dbraw/zinc/79/05/81/681790581.db2.gz CONAZQAJCYSJQM-UHFFFAOYSA-N 0 3 344.459 2.294 20 10 EECDHN COC(=O)COc1ccccc1CNCc1cccc(OC)c1O ZINC000894458841 682905520 /nfs/dbraw/zinc/90/55/20/682905520.db2.gz YEAMNUGUHAFLPT-UHFFFAOYSA-N 0 3 331.368 2.242 20 10 EECDHN CON(C)C(=O)CNCc1ccc(OCc2ccccc2)cc1O ZINC000895040773 683490128 /nfs/dbraw/zinc/49/01/28/683490128.db2.gz LYDJVYAQNDRHPV-UHFFFAOYSA-N 0 3 330.384 2.081 20 10 EECDHN COC[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)[C@H]1CCCO1 ZINC000873117723 1198503728 /nfs/dbraw/zinc/50/37/28/1198503728.db2.gz YPHUJEVDKUYQDE-IEBWSBKVSA-N 0 3 345.443 2.224 20 10 EECDHN Cc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c([O-])c1 ZINC000876899579 1199812253 /nfs/dbraw/zinc/81/22/53/1199812253.db2.gz MGEXJYBTJXOPJS-UHFFFAOYSA-N 0 3 331.416 2.045 20 10 EECDHN CCNS(=O)(=O)c1cccc(CNCc2c(C)cccc2O)c1 ZINC000877582901 1199972434 /nfs/dbraw/zinc/97/24/34/1199972434.db2.gz CHDDNDLTJOZRAP-UHFFFAOYSA-N 0 3 334.441 2.289 20 10 EECDHN C[C@@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccccc1[O-] ZINC000879648835 1201193408 /nfs/dbraw/zinc/19/34/08/1201193408.db2.gz BIYDWEZIHXLFHI-CQSZACIVSA-N 0 3 326.396 2.432 20 10 EECDHN CC[C@@H](CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001016366759 1226398187 /nfs/dbraw/zinc/39/81/87/1226398187.db2.gz GCWHFASIWVYKKK-GJZGRUSLSA-N 0 3 347.419 2.078 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc(Cl)cn2)N(C)C)cc1 ZINC000900863792 1234923592 /nfs/dbraw/zinc/92/35/92/1234923592.db2.gz RZWVRAFKMBCXAC-HNNXBMFYSA-N 0 3 347.850 2.229 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c([O-])c1 ZINC000903233355 1240059809 /nfs/dbraw/zinc/05/98/09/1240059809.db2.gz HAXGVTMIIGNJHO-DZKIICNBSA-N 0 3 340.489 2.459 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H]2COCCO2)c1[O-] ZINC000827139481 1250229438 /nfs/dbraw/zinc/22/94/38/1250229438.db2.gz BGWBVDTXZUDGMD-ZDUSSCGKSA-N 0 3 330.222 2.310 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2COCCO2)c1[O-] ZINC000827139481 1250229447 /nfs/dbraw/zinc/22/94/47/1250229447.db2.gz BGWBVDTXZUDGMD-ZDUSSCGKSA-N 0 3 330.222 2.310 20 10 EECDHN COCCc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2[O-])cc1 ZINC000850341621 1277186120 /nfs/dbraw/zinc/18/61/20/1277186120.db2.gz MMCFFIZKRKQNNC-QGZVFWFLSA-N 0 3 331.412 2.111 20 10 EECDHN NC(=O)c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850406169 1277215953 /nfs/dbraw/zinc/21/59/53/1277215953.db2.gz VFKQIURJBQPEPI-UHFFFAOYSA-N 0 3 339.439 2.036 20 10 EECDHN OC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850567856 1277268336 /nfs/dbraw/zinc/26/83/36/1277268336.db2.gz KYJGWTUGYLXMJL-FQEVSTJZSA-N 0 3 326.440 2.471 20 10 EECDHN Cc1cccc(CN2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c1O ZINC001273770184 1285294317 /nfs/dbraw/zinc/29/43/17/1285294317.db2.gz QBZLZUJHINIRCN-IBGZPJMESA-N 0 3 341.411 2.456 20 10 EECDHN CC(C)CNC(=O)[C@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001273842605 1286683847 /nfs/dbraw/zinc/68/38/47/1286683847.db2.gz DWSLMSHDOADPJE-CQSZACIVSA-N 0 3 348.443 2.178 20 10 EECDHN CCN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(OC)cc1[O-])C2)C(C)C ZINC001277456137 1303213678 /nfs/dbraw/zinc/21/36/78/1303213678.db2.gz BJBJGEYXGKFTQQ-DNVCBOLYSA-N 0 3 332.444 2.480 20 10 EECDHN CCN(C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(OC)cc1[O-])C2)C(C)C ZINC001277456137 1303213686 /nfs/dbraw/zinc/21/36/86/1303213686.db2.gz BJBJGEYXGKFTQQ-DNVCBOLYSA-N 0 3 332.444 2.480 20 10 EECDHN CN(C)c1ccc(CN2CC3(C2)CN(c2ccccc2)C3=O)c(O)c1 ZINC001232838874 1304265622 /nfs/dbraw/zinc/26/56/22/1304265622.db2.gz JYPSMMVGYPFPER-UHFFFAOYSA-N 0 3 337.423 2.307 20 10 EECDHN CCc1ccc(C[N@@H+]2CCC[C@]3(CCN(CCOC)C3=O)C2)c([O-])c1 ZINC001236788389 1305675352 /nfs/dbraw/zinc/67/53/52/1305675352.db2.gz SVQPRPJINZGTSZ-FQEVSTJZSA-N 0 3 346.471 2.416 20 10 EECDHN CCc1ccc(C[N@H+]2CCC[C@]3(CCN(CCOC)C3=O)C2)c([O-])c1 ZINC001236788389 1305675360 /nfs/dbraw/zinc/67/53/60/1305675360.db2.gz SVQPRPJINZGTSZ-FQEVSTJZSA-N 0 3 346.471 2.416 20 10 EECDHN CC(=O)[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236939401 1305739692 /nfs/dbraw/zinc/73/96/92/1305739692.db2.gz QMMBTUHTBJXMTQ-INIZCTEOSA-N 0 3 333.451 2.379 20 10 EECDHN [O-]c1cccc(Br)c1CN1CC[NH2+]C[C@H]1C(F)(F)F ZINC001236974374 1305758724 /nfs/dbraw/zinc/75/87/24/1305758724.db2.gz CKNSOIXIDQJZCX-NSHDSACASA-N 0 3 339.155 2.491 20 10 EECDHN C[C@@H]1CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C2(CC2)C1 ZINC001237221315 1305855381 /nfs/dbraw/zinc/85/53/81/1305855381.db2.gz UBIONAUPHZCXSX-HNNXBMFYSA-N 0 3 334.485 2.296 20 10 EECDHN COC(=O)CC1CN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337742 1314602558 /nfs/dbraw/zinc/60/25/58/1314602558.db2.gz XLEPCVNRZPLRGV-UHFFFAOYSA-N 0 3 330.428 2.086 20 10 EECDHN CCN1CCN(c2ccc(CN(C)Cc3noc(C)n3)cc2)CC1 ZINC001140302475 1314861265 /nfs/dbraw/zinc/86/12/65/1314861265.db2.gz RUAQDPAUGHOWBW-UHFFFAOYSA-N 0 3 329.448 2.152 20 10 EECDHN CC1(C)C[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000841886984 1315630685 /nfs/dbraw/zinc/63/06/85/1315630685.db2.gz BALZSXLMIRYFRS-CYBMUJFWSA-N 0 3 326.387 2.459 20 10 EECDHN Cc1cc(C[N@H+](C)CCN2CCOCC2)c([O-])cc1Br ZINC001250120969 1317215073 /nfs/dbraw/zinc/21/50/73/1317215073.db2.gz WQGYYYSGKHQJNP-UHFFFAOYSA-N 0 3 343.265 2.227 20 10 EECDHN Cc1cc(C[N@@H+](C)CCN2CCOCC2)c([O-])cc1Br ZINC001250120969 1317215082 /nfs/dbraw/zinc/21/50/82/1317215082.db2.gz WQGYYYSGKHQJNP-UHFFFAOYSA-N 0 3 343.265 2.227 20 10 EECDHN C[C@H]([NH2+]C[C@H](O)COCC(F)(F)C(F)F)c1ccccc1[O-] ZINC001251633306 1317479416 /nfs/dbraw/zinc/47/94/16/1317479416.db2.gz QALTXDKPPXGTFN-UWVGGRQHSA-N 0 3 325.302 2.321 20 10 EECDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc(CCO)cc1)c1ccccc1[O-] ZINC001253163065 1317784910 /nfs/dbraw/zinc/78/49/10/1317784910.db2.gz NAFCVNZXIRUNDC-GOEBONIOSA-N 0 3 331.412 2.018 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001204274347 1322100214 /nfs/dbraw/zinc/10/02/14/1322100214.db2.gz OMQKXZHQWGFFEC-LPHOPBHVSA-N 0 3 342.395 2.305 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001204274347 1322100224 /nfs/dbraw/zinc/10/02/24/1322100224.db2.gz OMQKXZHQWGFFEC-LPHOPBHVSA-N 0 3 342.395 2.305 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1Br ZINC001206435097 1323492156 /nfs/dbraw/zinc/49/21/56/1323492156.db2.gz JRDTTXHIJXPIFU-VHSXEESVSA-N 0 3 333.201 2.034 20 10 EECDHN COc1ccc(O)c(C[NH2+][C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001609358424 1351945908 /nfs/dbraw/zinc/94/59/08/1351945908.db2.gz YIRDBUFVCLSGPS-INIZCTEOSA-N 0 3 337.383 2.358 20 10 EECDHN COc1cc(O)c(CN[C@@H]2CCc3ccccc3NC2=O)cc1OC ZINC000848921594 1338807370 /nfs/dbraw/zinc/80/73/70/1338807370.db2.gz BYDLDACGQLXAEY-OAHLLOKOSA-N 0 3 342.395 2.453 20 10 EECDHN CCN(CC)c1ccc(CN2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001140850799 1372696199 /nfs/dbraw/zinc/69/61/99/1372696199.db2.gz UWCYIRNZLYGXHM-GOSISDBHSA-N 0 3 333.476 2.145 20 10 EECDHN Cc1nn(CC(=O)OC(C)C)c(C)c1CNCc1ccc(N)cc1 ZINC001579895938 1403793252 /nfs/dbraw/zinc/79/32/52/1403793252.db2.gz XVCNVOSMYGWSMW-UHFFFAOYSA-N 0 3 330.432 2.324 20 10 EECDHN [NH3+]C[C@@H]1CCCCN1Cc1ccc(I)cc1[O-] ZINC001204933040 780965193 /nfs/dbraw/zinc/96/51/93/780965193.db2.gz QHMOVJQPJWINJC-LBPRGKRZSA-N 0 3 346.212 2.310 20 10 EECDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(C)n1-c1cccc(C)c1 ZINC000819824704 785698885 /nfs/dbraw/zinc/69/88/85/785698885.db2.gz MIJYLFLSPUPSKR-MRXNPFEDSA-N 0 3 329.444 2.055 20 10 EECDHN CC(C)(C)N(C(=O)c1cccc(O)c1[O-])[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001148213536 792246791 /nfs/dbraw/zinc/24/67/91/792246791.db2.gz FWPZEWORWQCCAV-ZDUSSCGKSA-N 0 3 348.443 2.250 20 10 EECDHN CCOc1ccc(N2CCN([C@H]3CCN(C4CC4)C(=O)C3)CC2)cc1 ZINC001172020369 796847506 /nfs/dbraw/zinc/84/75/06/796847506.db2.gz XLCGKGMUXOCGIB-SFHVURJKSA-N 0 3 343.471 2.361 20 10 EECDHN CCN(CC)c1ccc(CN(C)CCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000917019869 798023179 /nfs/dbraw/zinc/02/31/79/798023179.db2.gz JQMGKGZKLBWJDF-UHFFFAOYSA-N 0 3 346.475 2.295 20 10 EECDHN CCOCCOCCN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000787424385 807109964 /nfs/dbraw/zinc/10/99/64/807109964.db2.gz RLZYFPINUAQITI-UHFFFAOYSA-N 0 3 340.439 2.147 20 10 EECDHN CC(=O)Nc1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000788524055 807563459 /nfs/dbraw/zinc/56/34/59/807563459.db2.gz KRFWVMMPDQJHKV-UHFFFAOYSA-N 0 3 340.427 2.166 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c1[O-] ZINC000808676073 812809496 /nfs/dbraw/zinc/80/94/96/812809496.db2.gz CDZLQYUJPVJIDI-LLVKDONJSA-N 0 3 334.869 2.286 20 10 EECDHN CCn1nccc1N1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1=O ZINC000191643828 237264527 /nfs/dbraw/zinc/26/45/27/237264527.db2.gz RQYRIBQKVJVWMZ-MRXNPFEDSA-N 0 3 340.427 2.123 20 10 EECDHN CCN(CC)c1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1F ZINC000167741137 463663860 /nfs/dbraw/zinc/66/38/60/463663860.db2.gz LRGBNWKLASXBGO-OAHLLOKOSA-N 0 3 337.439 2.057 20 10 EECDHN COc1cc(O)c(CN2CCS[C@H]3COCC[C@H]32)cc1OC ZINC000271106370 464280937 /nfs/dbraw/zinc/28/09/37/464280937.db2.gz RTCCPOSKGFIKJR-WBMJQRKESA-N 0 3 325.430 2.116 20 10 EECDHN COCCOC[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000296488416 465210980 /nfs/dbraw/zinc/21/09/80/465210980.db2.gz KXEDLWOXEZJYTI-IBGZPJMESA-N 0 3 336.476 2.133 20 10 EECDHN CCOc1cccc(CN2CCCN(c3ncccn3)CC2)c1O ZINC000093056513 463005440 /nfs/dbraw/zinc/00/54/40/463005440.db2.gz QJWHAAAYTQMVTH-UHFFFAOYSA-N 0 3 328.416 2.293 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1C ZINC000159403224 463284443 /nfs/dbraw/zinc/28/44/43/463284443.db2.gz JYCKMEAZJNZZMZ-MRXNPFEDSA-N 0 3 340.489 2.303 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1C ZINC000159403224 463284447 /nfs/dbraw/zinc/28/44/47/463284447.db2.gz JYCKMEAZJNZZMZ-MRXNPFEDSA-N 0 3 340.489 2.303 20 10 EECDHN CC[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000125467058 463547482 /nfs/dbraw/zinc/54/74/82/463547482.db2.gz WOOXXHDCIRUOGN-HNNXBMFYSA-N 0 3 349.450 2.010 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCN1C1CC1 ZINC000279808294 464151585 /nfs/dbraw/zinc/15/15/85/464151585.db2.gz XAJCRFCDJSZOJG-LJQANCHMSA-N 0 3 343.471 2.108 20 10 EECDHN C[C@@H](O)C[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279963825 464173758 /nfs/dbraw/zinc/17/37/58/464173758.db2.gz YMGCTFZCECGUHD-VQIMIIECSA-N 0 3 347.503 2.336 20 10 EECDHN C[C@@H]1CN(CC2CCN(C(=O)Cc3ccc(N)cc3)CC2)C[C@@H](C)O1 ZINC000237399610 464313634 /nfs/dbraw/zinc/31/36/34/464313634.db2.gz MMRIHJMZOQOZQC-HZPDHXFCSA-N 0 3 345.487 2.159 20 10 EECDHN COc1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1[O-] ZINC000293988053 464428418 /nfs/dbraw/zinc/42/84/18/464428418.db2.gz RUURVNUAAZFLNT-UHFFFAOYSA-N 0 3 327.446 2.094 20 10 EECDHN CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000294912493 464646003 /nfs/dbraw/zinc/64/60/03/464646003.db2.gz AIFSSPMZZFJNPL-QGZVFWFLSA-N 0 3 348.468 2.477 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCc2ccccc2)c1 ZINC000182457825 464661350 /nfs/dbraw/zinc/66/13/50/464661350.db2.gz NOMFMQRCMMZGTB-CQSZACIVSA-N 0 3 328.412 2.410 20 10 EECDHN Cc1cccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1[O-] ZINC000182657461 464703360 /nfs/dbraw/zinc/70/33/60/464703360.db2.gz VCKHXUWNDBHFNY-UHFFFAOYSA-N 0 3 340.470 2.172 20 10 EECDHN Cc1cccc(CNCCN(C)S(=O)(=O)c2cccs2)c1O ZINC000182657461 464703367 /nfs/dbraw/zinc/70/33/67/464703367.db2.gz VCKHXUWNDBHFNY-UHFFFAOYSA-N 0 3 340.470 2.172 20 10 EECDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000282407090 464807327 /nfs/dbraw/zinc/80/73/27/464807327.db2.gz SAAKADRAGOETCJ-LBPRGKRZSA-N 0 3 327.419 2.347 20 10 EECDHN COCCn1cc(CNCc2cc(Cl)cc(OC)c2O)cn1 ZINC000282519056 464849597 /nfs/dbraw/zinc/84/95/97/464849597.db2.gz PKSYTMGLPAJYGA-UHFFFAOYSA-N 0 3 325.796 2.187 20 10 EECDHN CN(C)c1ccc(CN(C[C@@H](O)COC2CCOCC2)C2CC2)cc1 ZINC000268021493 464947540 /nfs/dbraw/zinc/94/75/40/464947540.db2.gz DJRZSAPXMILITL-LJQANCHMSA-N 0 3 348.487 2.274 20 10 EECDHN C[C@H](CO)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000276506266 464959928 /nfs/dbraw/zinc/95/99/28/464959928.db2.gz YRYIRMURHBRDQD-MRXNPFEDSA-N 0 3 347.503 2.336 20 10 EECDHN [O-]c1cc2c(cc1C[NH+]1CCC(CCN3CCOCC3)CC1)OCO2 ZINC000369548796 466738645 /nfs/dbraw/zinc/73/86/45/466738645.db2.gz JZMNUKLHAGDEHZ-UHFFFAOYSA-N 0 3 348.443 2.055 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1C ZINC000375849448 466880050 /nfs/dbraw/zinc/88/00/50/466880050.db2.gz PTWSWSXTPMQOOU-IQUTYRLHSA-N 0 3 345.443 2.380 20 10 EECDHN C[C@@H](O)C[C@H]1CCCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298384970 525837998 /nfs/dbraw/zinc/83/79/98/525837998.db2.gz DLOWYSBRAQIFLU-VQIMIIECSA-N 0 3 347.503 2.384 20 10 EECDHN CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCC1 ZINC000738312724 576304742 /nfs/dbraw/zinc/30/47/42/576304742.db2.gz BFFRLZINZJIEJC-UHFFFAOYSA-N 0 3 331.460 2.218 20 10 EECDHN CC[C@@H]1CCCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000727832458 576452782 /nfs/dbraw/zinc/45/27/82/576452782.db2.gz CKEMPBCVSKAFNF-MRXNPFEDSA-N 0 3 331.460 2.218 20 10 EECDHN CC(C)CN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000728299764 576488615 /nfs/dbraw/zinc/48/86/15/576488615.db2.gz OYHOWVHMVAYTLP-UHFFFAOYSA-N 0 3 335.467 2.436 20 10 EECDHN CN(C)CCOc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)cc1 ZINC000732007211 577142133 /nfs/dbraw/zinc/14/21/33/577142133.db2.gz XYKASDHKUKDRHW-YHYXMXQVSA-N 0 3 328.416 2.037 20 10 EECDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC[C@@H]1CCCO1 ZINC000733613158 577250172 /nfs/dbraw/zinc/25/01/72/577250172.db2.gz AMJYTPYQRGXJDE-KRWDZBQOSA-N 0 3 332.444 2.432 20 10 EECDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC[C@@H]1CCCO1 ZINC000733613158 577250173 /nfs/dbraw/zinc/25/01/73/577250173.db2.gz AMJYTPYQRGXJDE-KRWDZBQOSA-N 0 3 332.444 2.432 20 10 EECDHN C[C@H](NCC(=O)N1CCC[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775258878 577433873 /nfs/dbraw/zinc/43/38/73/577433873.db2.gz LMFJHYQNCDPNKB-IRXDYDNUSA-N 0 3 345.487 2.432 20 10 EECDHN C[C@H](NCC(C)(C)C(N)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000775620377 577441145 /nfs/dbraw/zinc/44/11/45/577441145.db2.gz YBQXQWOHLGIKPU-LBPRGKRZSA-N 0 3 339.867 2.339 20 10 EECDHN COc1cccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)c1O ZINC000765663393 577504644 /nfs/dbraw/zinc/50/46/44/577504644.db2.gz PCDDVVWSKVUKBY-OAHLLOKOSA-N 0 3 333.432 2.217 20 10 EECDHN COC[C@@](C)(O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765936822 577509428 /nfs/dbraw/zinc/50/94/28/577509428.db2.gz LVQZOVXMOREVJL-GUYCJALGSA-N 0 3 342.867 2.225 20 10 EECDHN CCN1CCC(NC(=O)CN2CCCCc3cc(OC)ccc32)CC1 ZINC000766270905 577516300 /nfs/dbraw/zinc/51/63/00/577516300.db2.gz WNQZSROCCCWLJV-UHFFFAOYSA-N 0 3 345.487 2.438 20 10 EECDHN COc1cccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1[O-] ZINC000768781866 577562329 /nfs/dbraw/zinc/56/23/29/577562329.db2.gz ZVGPXLWGIVQFLT-UHFFFAOYSA-N 0 3 346.349 2.291 20 10 EECDHN CCCn1nccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245306 676237661 /nfs/dbraw/zinc/23/76/61/676237661.db2.gz CGWVOWOHATVFJY-SFHVURJKSA-N 0 3 343.475 2.392 20 10 EECDHN CCO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891245997 676239380 /nfs/dbraw/zinc/23/93/80/676239380.db2.gz LICPXJXZQCKJTK-ROUUACIJSA-N 0 3 333.476 2.287 20 10 EECDHN COC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCCC1 ZINC000891249352 676243856 /nfs/dbraw/zinc/24/38/56/676243856.db2.gz RIVBSZBSGJGYRW-KRWDZBQOSA-N 0 3 333.476 2.431 20 10 EECDHN CCOC(=O)[C@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250524 676245445 /nfs/dbraw/zinc/24/54/45/676245445.db2.gz WNJWNTXLAJDLBD-SJORKVTESA-N 0 3 349.475 2.061 20 10 EECDHN CCc1ocnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253073 676248964 /nfs/dbraw/zinc/24/89/64/676248964.db2.gz QFCZWLQBJGZAGX-OAHLLOKOSA-N 0 3 330.432 2.336 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC000895004872 683461348 /nfs/dbraw/zinc/46/13/48/683461348.db2.gz VOAHFPIHBQNITO-FQEVSTJZSA-N 0 3 340.423 2.420 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC000895004872 683461352 /nfs/dbraw/zinc/46/13/52/683461352.db2.gz VOAHFPIHBQNITO-FQEVSTJZSA-N 0 3 340.423 2.420 20 10 EECDHN CC(C)CN1C(=O)C[C@]2(CCCN(Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902381 1193597461 /nfs/dbraw/zinc/59/74/61/1193597461.db2.gz CYPZYSRMXKIMSW-IBGZPJMESA-N 0 3 346.427 2.095 20 10 EECDHN CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272619662 1190933763 /nfs/dbraw/zinc/93/37/63/1190933763.db2.gz XWZQYJIETGUUCS-LJQANCHMSA-N 0 3 332.444 2.099 20 10 EECDHN CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272619662 1190933767 /nfs/dbraw/zinc/93/37/67/1190933767.db2.gz XWZQYJIETGUUCS-LJQANCHMSA-N 0 3 332.444 2.099 20 10 EECDHN CC[C@H](C)N1C[C@]2(CCN(Cc3cc(OC)ccc3O)C2)OCC1=O ZINC001272637628 1190944011 /nfs/dbraw/zinc/94/40/11/1190944011.db2.gz MGHAWMXNAYJXGR-IFXJQAMLSA-N 0 3 348.443 2.003 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000877656525 1200009784 /nfs/dbraw/zinc/00/97/84/1200009784.db2.gz LPAXAPWTRKNWKK-AWEZNQCLSA-N 0 3 336.432 2.426 20 10 EECDHN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](N)CC2CC2)cc1 ZINC000884304980 1202288731 /nfs/dbraw/zinc/28/87/31/1202288731.db2.gz ICMQTQQRUAGALT-RBUKOAKNSA-N 0 3 345.487 2.388 20 10 EECDHN CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275266919 1205294238 /nfs/dbraw/zinc/29/42/38/1205294238.db2.gz GCAVWEXDIXAMKC-DOTOQJQBSA-N 0 3 326.444 2.315 20 10 EECDHN CCn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275266919 1205294240 /nfs/dbraw/zinc/29/42/40/1205294240.db2.gz GCAVWEXDIXAMKC-DOTOQJQBSA-N 0 3 326.444 2.315 20 10 EECDHN Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000929146174 1206451792 /nfs/dbraw/zinc/45/17/92/1206451792.db2.gz CLHNJJYWMYADFK-OAHLLOKOSA-N 0 3 331.420 2.473 20 10 EECDHN CS(=O)(=O)N1CC(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000778210607 1207895176 /nfs/dbraw/zinc/89/51/76/1207895176.db2.gz PFMXXIZDXSZPNK-UHFFFAOYSA-N 0 3 346.452 2.040 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1[O-] ZINC000779052220 1208480117 /nfs/dbraw/zinc/48/01/17/1208480117.db2.gz ONATXZJBYYSVNJ-IAQYHMDHSA-N 0 3 343.265 2.180 20 10 EECDHN COc1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC000796516369 1220482557 /nfs/dbraw/zinc/48/25/57/1220482557.db2.gz KIBZKKQOUAGNPN-OAHLLOKOSA-N 0 3 332.366 2.356 20 10 EECDHN CN(C)c1cc(F)c(CNCCc2nnc3ccccn32)cc1F ZINC000858088930 1294002191 /nfs/dbraw/zinc/00/21/91/1294002191.db2.gz YYYVMBHCWLSOAJ-UHFFFAOYSA-N 0 3 331.370 2.406 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000858498034 1294134477 /nfs/dbraw/zinc/13/44/77/1294134477.db2.gz KKDCSGKZOBXPQY-BPLDGKMQSA-N 0 3 326.462 2.212 20 10 EECDHN COC(=O)[C@H]1CNCCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001222421135 1299565210 /nfs/dbraw/zinc/56/52/10/1299565210.db2.gz IZVDFTKLCYOFCN-CQSZACIVSA-N 0 3 340.851 2.290 20 10 EECDHN Oc1cc(O)c(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1O ZINC001233485631 1304478397 /nfs/dbraw/zinc/47/83/97/1304478397.db2.gz DWAVURZRWARZGC-HOTGVXAUSA-N 0 3 326.396 2.262 20 10 EECDHN COc1cc([O-])c(CN2C[C@H](C)[NH2+]C[C@H]2C)c(Br)c1 ZINC001235450263 1305236172 /nfs/dbraw/zinc/23/61/72/1305236172.db2.gz PBEARZAVTLOQCT-VHSXEESVSA-N 0 3 329.238 2.346 20 10 EECDHN COc1cc(C)c(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c([O-])c1 ZINC001236809212 1305685489 /nfs/dbraw/zinc/68/54/89/1305685489.db2.gz FPKKHPBKYUYCES-INIZCTEOSA-N 0 3 332.444 2.400 20 10 EECDHN O=C(NC1CC1)N[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001116583895 1305902174 /nfs/dbraw/zinc/90/21/74/1305902174.db2.gz WXLSVSVWDVWBPZ-KRWDZBQOSA-N 0 3 328.460 2.323 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)cc1Br ZINC001237682423 1306044869 /nfs/dbraw/zinc/04/48/69/1306044869.db2.gz XLSLFRDBEWDLLK-HNNXBMFYSA-N 0 3 339.233 2.175 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CCNC3=O)C2)cc1Br ZINC001237682423 1306044881 /nfs/dbraw/zinc/04/48/81/1306044881.db2.gz XLSLFRDBEWDLLK-HNNXBMFYSA-N 0 3 339.233 2.175 20 10 EECDHN CCO[C@@H]1CN(Cc2cc(OC)cc(OC)c2O)[C@@H]2CCCO[C@H]12 ZINC001237672905 1306039093 /nfs/dbraw/zinc/03/90/93/1306039093.db2.gz KUWYHLVESXMSAR-KYJSFNMBSA-N 0 3 337.416 2.178 20 10 EECDHN COc1cc(CN2CCC[C@H](Oc3ncccn3)C2)c(O)c(OC)c1 ZINC001237684125 1306046734 /nfs/dbraw/zinc/04/67/34/1306046734.db2.gz MQJFDIQIVXEXAE-AWEZNQCLSA-N 0 3 345.399 2.243 20 10 EECDHN O=C(Nc1nnco1)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001278248509 1308909933 /nfs/dbraw/zinc/90/99/33/1308909933.db2.gz FXHNVKDUTIGYDT-CYBMUJFWSA-N 0 3 346.362 2.155 20 10 EECDHN CCN(Cc1ccc(N(C)C)cc1)[C@H]1CN[C@@](CC)(C(=O)OC)C1 ZINC001246917428 1310466047 /nfs/dbraw/zinc/46/60/47/1310466047.db2.gz CULKEOMSFFGYLA-IEBWSBKVSA-N 0 3 333.476 2.258 20 10 EECDHN Oc1c(CN2CCC3(C2)OCCO3)cc2c3c1CCCN3CCC2 ZINC001138337419 1314602389 /nfs/dbraw/zinc/60/23/89/1314602389.db2.gz OUIJABLMUCUQRT-UHFFFAOYSA-N 0 3 330.428 2.040 20 10 EECDHN Cc1cc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)ccc1N(C)C ZINC001139672529 1314756840 /nfs/dbraw/zinc/75/68/40/1314756840.db2.gz ZLNZEHUGTCBWJQ-KDURUIRLSA-N 0 3 329.488 2.356 20 10 EECDHN O=S1(=O)CCc2cc(C[NH2+][C@H]3CCc4cccc([O-])c43)ccc21 ZINC000834675955 1314862935 /nfs/dbraw/zinc/86/29/35/1314862935.db2.gz OEBVAUPMJOIWTB-HNNXBMFYSA-N 0 3 329.421 2.499 20 10 EECDHN COC(=O)CCN(CCC[NH+](C)C)Cc1c([O-])cccc1Cl ZINC001140345692 1314874751 /nfs/dbraw/zinc/87/47/51/1314874751.db2.gz YDFRKXVEMRWPBC-UHFFFAOYSA-N 0 3 328.840 2.362 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c(OC)c1 ZINC001141029139 1315020398 /nfs/dbraw/zinc/02/03/98/1315020398.db2.gz JUQHAIKFIKSGLS-UHFFFAOYSA-N 0 3 336.432 2.133 20 10 EECDHN O=C1OC2(CCN(Cc3cc(O)ccc3O)CC2)c2cccnc21 ZINC001141161165 1315051704 /nfs/dbraw/zinc/05/17/04/1315051704.db2.gz NLBXTNQRHPCIPM-UHFFFAOYSA-N 0 3 326.352 2.155 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2noc(C(C)C)n2)c([O-])c1 ZINC001249177644 1317018267 /nfs/dbraw/zinc/01/82/67/1317018267.db2.gz HJCKZFXQYVKHFU-UHFFFAOYSA-N 0 3 347.415 2.289 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2noc(C(C)C)n2)c([O-])c1 ZINC001249177644 1317018273 /nfs/dbraw/zinc/01/82/73/1317018273.db2.gz HJCKZFXQYVKHFU-UHFFFAOYSA-N 0 3 347.415 2.289 20 10 EECDHN COC(=O)[C@H]1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CCCO1 ZINC001249258325 1317036813 /nfs/dbraw/zinc/03/68/13/1317036813.db2.gz GGVQDLXAMSJQEV-MRXNPFEDSA-N 0 3 347.411 2.340 20 10 EECDHN [O-]c1ccccc1C[N@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001203556347 1321911623 /nfs/dbraw/zinc/91/16/23/1321911623.db2.gz NFXNGLJHCPAXDE-UHFFFAOYSA-N 0 3 341.459 2.028 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001203556347 1321911625 /nfs/dbraw/zinc/91/16/25/1321911625.db2.gz NFXNGLJHCPAXDE-UHFFFAOYSA-N 0 3 341.459 2.028 20 10 EECDHN O=C(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204273256 1322099300 /nfs/dbraw/zinc/09/93/00/1322099300.db2.gz MBNWQLGRTSBMHP-CALCHBBNSA-N 0 3 338.407 2.302 20 10 EECDHN O=C(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204273256 1322099307 /nfs/dbraw/zinc/09/93/07/1322099307.db2.gz MBNWQLGRTSBMHP-CALCHBBNSA-N 0 3 338.407 2.302 20 10 EECDHN O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275081 1322101160 /nfs/dbraw/zinc/10/11/60/1322101160.db2.gz WRNUWPYXXDUUNG-IBGZPJMESA-N 0 3 330.428 2.322 20 10 EECDHN O=C1N(CC2CC2)CC[C@]12CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204275081 1322101165 /nfs/dbraw/zinc/10/11/65/1322101165.db2.gz WRNUWPYXXDUUNG-IBGZPJMESA-N 0 3 330.428 2.322 20 10 EECDHN COc1cc([O-])c(CN2C[C@H](F)C[C@H]([NH3+])C2)c(Br)c1 ZINC001206444304 1323495077 /nfs/dbraw/zinc/49/50/77/1323495077.db2.gz HBQOWLNVGMPYRB-BDAKNGLRSA-N 0 3 333.201 2.034 20 10 EECDHN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001276538047 1324001230 /nfs/dbraw/zinc/00/12/30/1324001230.db2.gz RKPALOLRLDYKAX-IRXDYDNUSA-N 0 3 330.407 2.077 20 10 EECDHN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001276538047 1324001234 /nfs/dbraw/zinc/00/12/34/1324001234.db2.gz RKPALOLRLDYKAX-IRXDYDNUSA-N 0 3 330.407 2.077 20 10 EECDHN [O-]c1c(F)cccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCn1ccnc1 ZINC001276538047 1324001238 /nfs/dbraw/zinc/00/12/38/1324001238.db2.gz RKPALOLRLDYKAX-IRXDYDNUSA-N 0 3 330.407 2.077 20 10 EECDHN [O-]c1c(F)cccc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCn1ccnc1 ZINC001276538047 1324001242 /nfs/dbraw/zinc/00/12/42/1324001242.db2.gz RKPALOLRLDYKAX-IRXDYDNUSA-N 0 3 330.407 2.077 20 10 EECDHN COc1cc(CNC[C@@H]2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850193364 1367131684 /nfs/dbraw/zinc/13/16/84/1367131684.db2.gz DVXLLJAGZJKVOV-AWEZNQCLSA-N 0 3 341.473 2.365 20 10 EECDHN CN(C)c1cc(F)c(CN2CC[C@H](CN3CCOCC3)C2)cc1F ZINC000862249232 1369527167 /nfs/dbraw/zinc/52/71/67/1369527167.db2.gz YYEVOCOCYJYPHO-CQSZACIVSA-N 0 3 339.430 2.185 20 10 EECDHN CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Br)ccc1[O-] ZINC000717428981 1369669764 /nfs/dbraw/zinc/66/97/64/1369669764.db2.gz WYGZQRGVIXDJDZ-DGCLKSJQSA-N 0 3 331.254 2.118 20 10 EECDHN Cc1ccc(C)c(CN2CCN(CC(=O)OC(C)(C)C)CC2)c1O ZINC001140180605 1372546961 /nfs/dbraw/zinc/54/69/61/1372546961.db2.gz ZLSSIYJKWZTXID-UHFFFAOYSA-N 0 3 334.460 2.468 20 10 EECDHN Cc1nccc(N2CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC2)n1 ZINC001089840332 777565746 /nfs/dbraw/zinc/56/57/46/777565746.db2.gz MZQQBXFCOLXCOU-GOSISDBHSA-N 0 3 345.491 2.014 20 10 EECDHN CCOc1ccc(C[NH2+]CC2(OCCOC)CCOCC2)c([O-])c1 ZINC000824589901 788227839 /nfs/dbraw/zinc/22/78/39/788227839.db2.gz JUDRNFZFNJDKSM-UHFFFAOYSA-N 0 3 339.432 2.093 20 10 EECDHN COc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N(C)C)c([O-])c1 ZINC000793387346 810311654 /nfs/dbraw/zinc/31/16/54/810311654.db2.gz DPLHEXTYPBSAEW-UHFFFAOYSA-N 0 3 344.411 2.158 20 10 EECDHN COc1ccc(CNCc2ccccc2OCC(=O)N(C)C)c(O)c1 ZINC000793387346 810311659 /nfs/dbraw/zinc/31/16/59/810311659.db2.gz DPLHEXTYPBSAEW-UHFFFAOYSA-N 0 3 344.411 2.158 20 10 EECDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000085400829 237008789 /nfs/dbraw/zinc/00/87/89/237008789.db2.gz IACUMYVKKSEALG-CJNGLKHVSA-N 0 3 336.455 2.373 20 10 EECDHN Cc1cc(C(=O)NC[C@@](C)(O)CN(C)C)c(C)n1-c1ccccc1 ZINC000152502007 463698291 /nfs/dbraw/zinc/69/82/91/463698291.db2.gz BRQOJHOAOGIBQU-LJQANCHMSA-N 0 3 329.444 2.137 20 10 EECDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cnn(C)c1 ZINC000268807671 463792032 /nfs/dbraw/zinc/79/20/32/463792032.db2.gz CXEUSRHHXDWLDD-OAHLLOKOSA-N 0 3 328.460 2.480 20 10 EECDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000177893448 463810429 /nfs/dbraw/zinc/81/04/29/463810429.db2.gz HZKKYHHOOIFSMI-HUUCEWRRSA-N 0 3 349.450 2.009 20 10 EECDHN CCN(Cc1ccccc1)c1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278342397 463962556 /nfs/dbraw/zinc/96/25/56/463962556.db2.gz HUDKBBMWIXXXHX-WOJBJXKFSA-N 0 3 326.440 2.251 20 10 EECDHN COc1cccc(CNCc2ccccc2OCC(=O)N(C)C)c1O ZINC000289564028 464084442 /nfs/dbraw/zinc/08/44/42/464084442.db2.gz YYEGYBIRTYNKHI-UHFFFAOYSA-N 0 3 344.411 2.158 20 10 EECDHN O=C(NCCN1CCCCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000172589415 464112525 /nfs/dbraw/zinc/11/25/25/464112525.db2.gz OQLOLIMKLSFKDM-UHFFFAOYSA-N 0 3 328.460 2.348 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000271770124 464378324 /nfs/dbraw/zinc/37/83/24/464378324.db2.gz BJIUNSQPGOAMFK-OAHLLOKOSA-N 0 3 335.375 2.242 20 10 EECDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)[C@@H]2C1 ZINC000272419001 464603024 /nfs/dbraw/zinc/60/30/24/464603024.db2.gz HEJTYFLOOJOIAU-VQIMIIECSA-N 0 3 342.487 2.305 20 10 EECDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(Br)ccc1[O-] ZINC000273417181 464714751 /nfs/dbraw/zinc/71/47/51/464714751.db2.gz RCYXXUNLQYPZAI-AAEUAGOBSA-N 0 3 343.265 2.262 20 10 EECDHN OC[C@]1(NCc2cc3c(cc2O)OCO3)CCCc2ccccc21 ZINC000282451642 464824282 /nfs/dbraw/zinc/82/42/82/464824282.db2.gz SLMFVGQNDAXEHH-LJQANCHMSA-N 0 3 327.380 2.435 20 10 EECDHN O[C@H]1c2ccccc2OC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000367285278 466238468 /nfs/dbraw/zinc/23/84/68/466238468.db2.gz CUNWYJHXFVENDK-ICSRJNTNSA-N 0 3 340.423 2.107 20 10 EECDHN COCCn1cc(CNC2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000363555547 466476492 /nfs/dbraw/zinc/47/64/92/466476492.db2.gz FLEDRICYCVOXNJ-UHFFFAOYSA-N 0 3 344.459 2.297 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000363845175 466635590 /nfs/dbraw/zinc/63/55/90/466635590.db2.gz ANGGELASOKKOIY-ZJNRKIDTSA-N 0 3 331.416 2.072 20 10 EECDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000268109561 490712222 /nfs/dbraw/zinc/71/22/22/490712222.db2.gz HVPKSGSDNMNDBQ-HNAYVOBHSA-N 0 3 340.471 2.345 20 10 EECDHN Oc1cc2c(cc1CN1CCCN(c3nccs3)CC1)OCO2 ZINC000092483007 534449039 /nfs/dbraw/zinc/44/90/39/534449039.db2.gz KUJCTCMIBQHOKS-UHFFFAOYSA-N 0 3 333.413 2.290 20 10 EECDHN CCN(CC)c1ccc(C[N@H+](C)CCCOC([O-])=NC(N)=O)cc1 ZINC000772175188 577255968 /nfs/dbraw/zinc/25/59/68/577255968.db2.gz QPNKTKMXHVIZAS-UHFFFAOYSA-N 0 3 336.436 2.160 20 10 EECDHN CCN(CC)c1ccc(C[N@@H+](C)CCCOC([O-])=NC(N)=O)cc1 ZINC000772175188 577255969 /nfs/dbraw/zinc/25/59/69/577255969.db2.gz QPNKTKMXHVIZAS-UHFFFAOYSA-N 0 3 336.436 2.160 20 10 EECDHN CCN(CC)c1ccc(C[N@H+](C)CCCOC(=O)N=C(N)[O-])cc1 ZINC000772175188 577255970 /nfs/dbraw/zinc/25/59/70/577255970.db2.gz QPNKTKMXHVIZAS-UHFFFAOYSA-N 0 3 336.436 2.160 20 10 EECDHN CCN(CC)c1ccc(C[N@@H+](C)CCCOC(=O)N=C(N)[O-])cc1 ZINC000772175188 577255971 /nfs/dbraw/zinc/25/59/71/577255971.db2.gz QPNKTKMXHVIZAS-UHFFFAOYSA-N 0 3 336.436 2.160 20 10 EECDHN CN1CCN(c2ccc(CN(CCO)Cc3ccccc3)cc2)CC1 ZINC000775639348 577441524 /nfs/dbraw/zinc/44/15/24/577441524.db2.gz UYWISMMUOYINTQ-UHFFFAOYSA-N 0 3 339.483 2.433 20 10 EECDHN COc1cc(O)c(CNCc2cccc3c2OCCO3)cc1OC ZINC000775764450 577445031 /nfs/dbraw/zinc/44/50/31/577445031.db2.gz YIJLWHCFGVMDGW-UHFFFAOYSA-N 0 3 331.368 2.470 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000768447978 577555903 /nfs/dbraw/zinc/55/59/03/577555903.db2.gz SMMGSINSSPUFQZ-CQSZACIVSA-N 0 3 348.443 2.244 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000768447978 577555904 /nfs/dbraw/zinc/55/59/04/577555904.db2.gz SMMGSINSSPUFQZ-CQSZACIVSA-N 0 3 348.443 2.244 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@](C)(CC)C1)cc2=O ZINC000758747801 577630578 /nfs/dbraw/zinc/63/05/78/577630578.db2.gz MCWLHMZDSLXMBK-QGZVFWFLSA-N 0 3 332.404 2.234 20 10 EECDHN CC[C@]1(C)CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000758748953 577630618 /nfs/dbraw/zinc/63/06/18/577630618.db2.gz RGJWTVIXZCMAPI-HXUWFJFHSA-N 0 3 345.487 2.466 20 10 EECDHN Cc1cc(C(=O)NC[C@]2(O)CCN(C)C2)c(C)n1-c1cccc(C)c1 ZINC000762719135 577706533 /nfs/dbraw/zinc/70/65/33/577706533.db2.gz PNCUWYKYORTDSI-HXUWFJFHSA-N 0 3 341.455 2.199 20 10 EECDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000757770945 577863862 /nfs/dbraw/zinc/86/38/62/577863862.db2.gz GKTNAWOINUMCAM-WQGACYEGSA-N 0 3 333.432 2.244 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)N(C)C)cc1 ZINC000891242359 676231830 /nfs/dbraw/zinc/23/18/30/676231830.db2.gz FQJVNPDAPGZTRA-QRVBRYPASA-N 0 3 345.487 2.287 20 10 EECDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cncnc1 ZINC000891246740 676240066 /nfs/dbraw/zinc/24/00/66/676240066.db2.gz CMWPSPFNDFOZPP-KSSFIOAISA-N 0 3 341.459 2.065 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H](O)c2ccccc2)N(C)C)cc1 ZINC000891246347 676240305 /nfs/dbraw/zinc/24/03/05/676240305.db2.gz BEDDPTYPJHKTJV-MOPGFXCFSA-N 0 3 341.455 2.205 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/[C@@H]2CCCO2)N(C)C)cc1 ZINC000891246930 676242170 /nfs/dbraw/zinc/24/21/70/676242170.db2.gz FQFGMYCPOYJTKU-JWSDNSILSA-N 0 3 331.460 2.207 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)N(C)C)cc1 ZINC000891246923 676242331 /nfs/dbraw/zinc/24/23/31/676242331.db2.gz FMMUHTKWPBMZFO-BDXSIMOUSA-N 0 3 331.460 2.039 20 10 EECDHN CO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC000891248653 676242877 /nfs/dbraw/zinc/24/28/77/676242877.db2.gz ZQDYNZLUWWZHKM-ROUUACIJSA-N 0 3 333.476 2.287 20 10 EECDHN COCCN1CCCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024819164 681466892 /nfs/dbraw/zinc/46/68/92/681466892.db2.gz LYZGHUJCHSXXFN-OAHLLOKOSA-N 0 3 347.419 2.080 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCC=CO2)N(C)C)cc1 ZINC000894326368 682484594 /nfs/dbraw/zinc/48/45/94/682484594.db2.gz CVIIQTXZKFKVAG-QZTJIDSGSA-N 0 3 346.475 2.347 20 10 EECDHN CO[C@H](C)[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894349870 682588323 /nfs/dbraw/zinc/58/83/23/682588323.db2.gz WAFGBWATFRKSFE-VBQJREDUSA-N 0 3 336.480 2.078 20 10 EECDHN C[C@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)c1ccccc1O ZINC000892790639 683054283 /nfs/dbraw/zinc/05/42/83/683054283.db2.gz GXBVSXKUXKFLSS-XJKSGUPXSA-N 0 3 325.412 2.467 20 10 EECDHN C[C@@H]1CCOCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899096089 693600686 /nfs/dbraw/zinc/60/06/86/693600686.db2.gz PNTDIXNAINKKQY-CRAIPNDOSA-N 0 3 348.491 2.176 20 10 EECDHN O=C1C[C@@]2(CN1CC(F)F)CCCCN2Cc1cc(O)ccc1O ZINC001272385877 1190795847 /nfs/dbraw/zinc/79/58/47/1190795847.db2.gz GPPZJHFURGMOPY-QGZVFWFLSA-N 0 3 340.370 2.320 20 10 EECDHN O=C1N(Cc2ccncc2)CC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618246 1190933077 /nfs/dbraw/zinc/93/30/77/1190933077.db2.gz DKFHIAQNFWVJSZ-FQEVSTJZSA-N 0 3 337.423 2.412 20 10 EECDHN O=C1N(Cc2ccncc2)CC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618246 1190933080 /nfs/dbraw/zinc/93/30/80/1190933080.db2.gz DKFHIAQNFWVJSZ-FQEVSTJZSA-N 0 3 337.423 2.412 20 10 EECDHN CCOCCN1CC[C@]2(CCCN2Cc2ccc(O)c(C)c2O)C1=O ZINC001272657567 1190971154 /nfs/dbraw/zinc/97/11/54/1190971154.db2.gz HPKUABOGAGNLFW-LJQANCHMSA-N 0 3 348.443 2.010 20 10 EECDHN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983659 1194292500 /nfs/dbraw/zinc/29/25/00/1194292500.db2.gz YCFBGEYBZGTYDP-DJJJIMSYSA-N 0 3 346.427 2.237 20 10 EECDHN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983659 1194292503 /nfs/dbraw/zinc/29/25/03/1194292503.db2.gz YCFBGEYBZGTYDP-DJJJIMSYSA-N 0 3 346.427 2.237 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@H]3CCN3C3CCCC3)CC2)cc1 ZINC000873779361 1198700483 /nfs/dbraw/zinc/70/04/83/1198700483.db2.gz RYXXBFUXIVXOHE-LJQANCHMSA-N 0 3 343.471 2.361 20 10 EECDHN CO[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000877028225 1199848517 /nfs/dbraw/zinc/84/85/17/1199848517.db2.gz WOPCWKJCRWGKMM-OAHLLOKOSA-N 0 3 332.366 2.315 20 10 EECDHN Cc1nn(C)c(Cl)c1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000883283330 1202040453 /nfs/dbraw/zinc/04/04/53/1202040453.db2.gz BBMYHTMGSBOUAQ-UHFFFAOYSA-N 0 3 347.894 2.424 20 10 EECDHN CC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nccn1C ZINC000883290019 1202041489 /nfs/dbraw/zinc/04/14/89/1202041489.db2.gz IHHCUBCAUOWWAI-SFHVURJKSA-N 0 3 327.476 2.413 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2F)C[C@H](C)O1 ZINC000827365068 1247965857 /nfs/dbraw/zinc/96/58/57/1247965857.db2.gz OMAYXFGHJRCYAS-JCGVRSQUSA-N 0 3 349.450 2.183 20 10 EECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000815607315 1278159171 /nfs/dbraw/zinc/15/91/71/1278159171.db2.gz WFWZFZBOYSWPMS-KSMMKXTCSA-N 0 3 345.443 2.380 20 10 EECDHN COc1cc(CN[C@@H](C)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850136322 1277059506 /nfs/dbraw/zinc/05/95/06/1277059506.db2.gz XXOCMECXIMBCGQ-NSHDSACASA-N 0 3 329.462 2.221 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@](O)(C(N)=O)c1ccccc1 ZINC000852019387 1291957904 /nfs/dbraw/zinc/95/79/04/1291957904.db2.gz XQUSWHLIRHQOHJ-HXUWFJFHSA-N 0 3 342.439 2.367 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@](O)(C(N)=O)c1ccccc1 ZINC000852019387 1291957907 /nfs/dbraw/zinc/95/79/07/1291957907.db2.gz XQUSWHLIRHQOHJ-HXUWFJFHSA-N 0 3 342.439 2.367 20 10 EECDHN O=C1c2cccc(O[C@@H]3CCNC[C@H]3F)c2C(=O)c2cccc(O)c21 ZINC001218065303 1297560808 /nfs/dbraw/zinc/56/08/08/1297560808.db2.gz FBSOATSWXKHSFQ-TZMCWYRMSA-N 0 3 341.338 2.246 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c([O-])c1 ZINC001276806172 1298070364 /nfs/dbraw/zinc/07/03/64/1298070364.db2.gz JLMCOPIOWOBLDG-MAUKXSAKSA-N 0 3 342.443 2.139 20 10 EECDHN COc1cc(C)c(C[N@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c([O-])c1 ZINC001276806172 1298070376 /nfs/dbraw/zinc/07/03/76/1298070376.db2.gz JLMCOPIOWOBLDG-MAUKXSAKSA-N 0 3 342.443 2.139 20 10 EECDHN CCC(=O)N(CC)C1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231638708 1303875029 /nfs/dbraw/zinc/87/50/29/1303875029.db2.gz AYCCHGFZQXNZAY-UHFFFAOYSA-N 0 3 336.432 2.329 20 10 EECDHN Cc1ccc(C[NH2+]C23CC(C(=O)N4C[C@H](C)O[C@@H](C)C4)(C2)C3)c([O-])c1 ZINC001277568802 1303922667 /nfs/dbraw/zinc/92/26/67/1303922667.db2.gz QWIQTFWCNMHOII-XSYNCLLFSA-N 0 3 344.455 2.349 20 10 EECDHN Cc1ccnc(N2CCN(Cc3ccc(N(C)C)cc3O)CC2)c1 ZINC001232839390 1304267211 /nfs/dbraw/zinc/26/72/11/1304267211.db2.gz IJWHVJUSYLAHIG-UHFFFAOYSA-N 0 3 326.444 2.484 20 10 EECDHN C[NH+](C)[C@H]1CCN(Cc2ccc(I)cc2[O-])C1 ZINC001232975273 1304313064 /nfs/dbraw/zinc/31/30/64/1304313064.db2.gz YQQNVNZJXLICPY-LBPRGKRZSA-N 0 3 346.212 2.133 20 10 EECDHN COc1cc(Cl)cc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1[O-] ZINC001233287663 1304417969 /nfs/dbraw/zinc/41/79/69/1304417969.db2.gz BUXJTYUUBFGWPV-ZDUSSCGKSA-N 0 3 327.808 2.170 20 10 EECDHN COc1cc(Cl)cc(CN2CCC3(C[C@H](O)CO3)CC2)c1O ZINC001233287663 1304417974 /nfs/dbraw/zinc/41/79/74/1304417974.db2.gz BUXJTYUUBFGWPV-ZDUSSCGKSA-N 0 3 327.808 2.170 20 10 EECDHN CCOC(=O)[C@H]1C[C@@H]2CN(Cc3c(C)n(C)c4ccccc43)C[C@@H]2N1 ZINC001235269267 1305172537 /nfs/dbraw/zinc/17/25/37/1305172537.db2.gz MNISGBNRKHQFMS-OLMNPRSZSA-N 0 3 341.455 2.212 20 10 EECDHN CCN1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)cc1Cl ZINC001236927732 1305731346 /nfs/dbraw/zinc/73/13/46/1305731346.db2.gz VEWOATUXJCSJGZ-IRXDYDNUSA-N 0 3 335.879 2.455 20 10 EECDHN CN(C)C(=O)NC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237940275 1306154486 /nfs/dbraw/zinc/15/44/86/1306154486.db2.gz JBTCUOCQFCRXQW-UHFFFAOYSA-N 0 3 329.803 2.420 20 10 EECDHN O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2[O-])N1Cc1cccnc1 ZINC001140063234 1314806490 /nfs/dbraw/zinc/80/64/90/1314806490.db2.gz NVIXPBZBQILKHF-IAGOWNOFSA-N 0 3 341.386 2.302 20 10 EECDHN O=C1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2[O-])N1Cc1cccnc1 ZINC001140063234 1314806494 /nfs/dbraw/zinc/80/64/94/1314806494.db2.gz NVIXPBZBQILKHF-IAGOWNOFSA-N 0 3 341.386 2.302 20 10 EECDHN Cc1noc([C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3F)C2)n1 ZINC001140664924 1314925149 /nfs/dbraw/zinc/92/51/49/1314925149.db2.gz WMDRVNYNWFRQCI-OAHLLOKOSA-N 0 3 346.406 2.343 20 10 EECDHN COc1c([O-])c(CNc2ccc(OCC[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000841053670 1315463846 /nfs/dbraw/zinc/46/38/46/1315463846.db2.gz AGCMQTNMLCQFSF-UHFFFAOYSA-N 0 3 333.344 2.259 20 10 EECDHN COc1ccc(N2CCC(NC(=O)N3CCN[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000841779820 1315611841 /nfs/dbraw/zinc/61/18/41/1315611841.db2.gz ZNEUVGVTZCAVAF-GJZGRUSLSA-N 0 3 346.475 2.056 20 10 EECDHN [NH3+]CCCOC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000843056514 1315831145 /nfs/dbraw/zinc/83/11/45/1315831145.db2.gz OVQDPYTXPFUXED-UHFFFAOYSA-N 0 3 343.265 2.485 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+](C)CC2COC2)c([O-])c1 ZINC001249737305 1317160877 /nfs/dbraw/zinc/16/08/77/1317160877.db2.gz HUILDIVZVPDVML-UHFFFAOYSA-N 0 3 337.416 2.193 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+](C)CC2COC2)c([O-])c1 ZINC001249737305 1317160879 /nfs/dbraw/zinc/16/08/79/1317160879.db2.gz HUILDIVZVPDVML-UHFFFAOYSA-N 0 3 337.416 2.193 20 10 EECDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])CC1=O ZINC001254238112 1318022746 /nfs/dbraw/zinc/02/27/46/1318022746.db2.gz SEKSEXKOMIQMRZ-LBPRGKRZSA-N 0 3 336.388 2.114 20 10 EECDHN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001203556763 1321911835 /nfs/dbraw/zinc/91/18/35/1321911835.db2.gz WKOJYVBBBDGNOI-CABCVRRESA-N 0 3 329.425 2.338 20 10 EECDHN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001203556763 1321911837 /nfs/dbraw/zinc/91/18/37/1321911837.db2.gz WKOJYVBBBDGNOI-CABCVRRESA-N 0 3 329.425 2.338 20 10 EECDHN COc1ccc(C[N@@H+]2CCC[C@H](Oc3nccc(OC)n3)C2)c([O-])c1 ZINC001203635065 1321929411 /nfs/dbraw/zinc/92/94/11/1321929411.db2.gz JAIYFRMUFGUBHA-HNNXBMFYSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(C[N@H+]2CCC[C@H](Oc3nccc(OC)n3)C2)c([O-])c1 ZINC001203635065 1321929413 /nfs/dbraw/zinc/92/94/13/1321929413.db2.gz JAIYFRMUFGUBHA-HNNXBMFYSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(CN2CCC[C@H](Oc3nccc(OC)n3)C2)c(O)c1 ZINC001203635065 1321929415 /nfs/dbraw/zinc/92/94/15/1321929415.db2.gz JAIYFRMUFGUBHA-HNNXBMFYSA-N 0 3 345.399 2.243 20 10 EECDHN O=C1N(CC2CC2)CCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204278113 1322102696 /nfs/dbraw/zinc/10/26/96/1322102696.db2.gz UFBMDVRLIADWOY-UHFFFAOYSA-N 0 3 330.428 2.322 20 10 EECDHN COc1cc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)cc(O)c1O ZINC001204348139 1322122377 /nfs/dbraw/zinc/12/23/77/1322122377.db2.gz IKCUDRXGEMGDEP-LJQANCHMSA-N 0 3 340.379 2.202 20 10 EECDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)c(Br)c1 ZINC001206201886 1323425158 /nfs/dbraw/zinc/42/51/58/1323425158.db2.gz ZPQYRQUDBRHHTD-QWHCGFSZSA-N 0 3 347.228 2.425 20 10 EECDHN C[C@H]1C[NH2+]CCN(Cc2ccc(I)cc2[O-])C1 ZINC001206276583 1323445047 /nfs/dbraw/zinc/44/50/47/1323445047.db2.gz GXMJAMJZNCOMNL-JTQLQIEISA-N 0 3 346.212 2.038 20 10 EECDHN CN(CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCC1 ZINC000863869647 1369574571 /nfs/dbraw/zinc/57/45/71/1369574571.db2.gz PCCOLDHCJJUFDB-QGZVFWFLSA-N 0 3 332.444 2.384 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@]2(C)CCOC2)N(C)C)cc1 ZINC001121911106 1371932679 /nfs/dbraw/zinc/93/26/79/1371932679.db2.gz RHAHTCFVHIYLBZ-MJGOQNOKSA-N 0 3 348.491 2.081 20 10 EECDHN CNC(=O)C[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834899195 1372574715 /nfs/dbraw/zinc/57/47/15/1372574715.db2.gz JJGZCJFQULMGJX-CHWSQXEVSA-N 0 3 339.867 2.352 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000183161339 780461027 /nfs/dbraw/zinc/46/10/27/780461027.db2.gz HHOWTDUROWCFPG-IBGZPJMESA-N 0 3 329.396 2.212 20 10 EECDHN CCOc1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c([O-])c1 ZINC000816657206 784172374 /nfs/dbraw/zinc/17/23/74/784172374.db2.gz MMFCSCKOGKAHFD-GOSISDBHSA-N 0 3 335.444 2.448 20 10 EECDHN O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001148582791 792568706 /nfs/dbraw/zinc/56/87/06/792568706.db2.gz MBYGKLDNZTZJNY-UHFFFAOYSA-N 0 3 346.427 2.284 20 10 EECDHN O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001148582791 792568711 /nfs/dbraw/zinc/56/87/11/792568711.db2.gz MBYGKLDNZTZJNY-UHFFFAOYSA-N 0 3 346.427 2.284 20 10 EECDHN COCCN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000994494228 798092966 /nfs/dbraw/zinc/09/29/66/798092966.db2.gz MUNPWACBJGUBSC-IUODEOHRSA-N 0 3 347.419 2.078 20 10 EECDHN Cc1cc(C)c(O)c(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000788385661 807508668 /nfs/dbraw/zinc/50/86/68/807508668.db2.gz FGWUYXHNOUJGSJ-MRXNPFEDSA-N 0 3 338.473 2.009 20 10 EECDHN Cc1cc(C)c(O)c(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000788385656 807509014 /nfs/dbraw/zinc/50/90/14/807509014.db2.gz FGWUYXHNOUJGSJ-INIZCTEOSA-N 0 3 338.473 2.009 20 10 EECDHN Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000090171222 237026203 /nfs/dbraw/zinc/02/62/03/237026203.db2.gz AOQXXAJKLGHAPJ-WMLDXEAASA-N 0 3 341.459 2.251 20 10 EECDHN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090182458 533514399 /nfs/dbraw/zinc/51/43/99/533514399.db2.gz VOVHCXXXONTZRR-UKRRQHHQSA-N 0 3 347.434 2.076 20 10 EECDHN COC(=O)C[C@@](C)(NCc1cc(OC)ccc1O)c1ccncc1 ZINC000191904669 533665452 /nfs/dbraw/zinc/66/54/52/533665452.db2.gz MWORVYRUSXRWCS-GOSISDBHSA-N 0 3 330.384 2.364 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C)[C@H](C)C1)cc2=O ZINC000123008595 463308603 /nfs/dbraw/zinc/30/86/03/463308603.db2.gz IKOCPDWMFVDOLB-VXGBXAGGSA-N 0 3 332.404 2.090 20 10 EECDHN COc1ccc(O)c([C@H](C)NCc2cccnc2N2CCOCC2)c1 ZINC000184986245 463730322 /nfs/dbraw/zinc/73/03/22/463730322.db2.gz OFAPHDBDURNAIR-AWEZNQCLSA-N 0 3 343.427 2.483 20 10 EECDHN COc1c([O-])c(C[NH2+]C2CCN(CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278561727 463971356 /nfs/dbraw/zinc/97/13/56/463971356.db2.gz BHKANPJGMDWCFS-UHFFFAOYSA-N 0 3 335.404 2.273 20 10 EECDHN COc1c([O-])c(CNC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278561727 463971362 /nfs/dbraw/zinc/97/13/62/463971362.db2.gz BHKANPJGMDWCFS-UHFFFAOYSA-N 0 3 335.404 2.273 20 10 EECDHN CCN(Cc1ccc(N2CCC(OC)CC2)cc1)[C@H]1CCNC1=O ZINC000270818594 464268232 /nfs/dbraw/zinc/26/82/32/464268232.db2.gz YDHKIBREYFGYFB-SFHVURJKSA-N 0 3 331.460 2.012 20 10 EECDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237506515 464331604 /nfs/dbraw/zinc/33/16/04/464331604.db2.gz MJMLMTZTVRYINZ-ZDUSSCGKSA-N 0 3 334.441 2.493 20 10 EECDHN C[C@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCCN1 ZINC000237572660 464341909 /nfs/dbraw/zinc/34/19/09/464341909.db2.gz NMOGGSJHNZJJBV-HXUWFJFHSA-N 0 3 345.487 2.044 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000180727902 464380641 /nfs/dbraw/zinc/38/06/41/464380641.db2.gz UTOGCHULXOEOIB-CXAGYDPISA-N 0 3 331.416 2.080 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000180727902 464380646 /nfs/dbraw/zinc/38/06/46/464380646.db2.gz UTOGCHULXOEOIB-CXAGYDPISA-N 0 3 331.416 2.080 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000285008722 464424595 /nfs/dbraw/zinc/42/45/95/464424595.db2.gz ZKHNREKAOLBPTQ-ZBQZNYHESA-N 0 3 342.443 2.447 20 10 EECDHN COc1cc([O-])c(C[NH2+]C[C@H](O)CCc2ccccc2)cc1OC ZINC000273142564 464705273 /nfs/dbraw/zinc/70/52/73/464705273.db2.gz FHYAUMBOHOZPPQ-MRXNPFEDSA-N 0 3 331.412 2.493 20 10 EECDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000273558590 464719338 /nfs/dbraw/zinc/71/93/38/464719338.db2.gz HODSJEMVRVDQGZ-LLVKDONJSA-N 0 3 343.265 2.262 20 10 EECDHN COc1cc([O-])c(C[NH2+]CCc2cn3c(n2)SCC3)cc1OC ZINC000274323997 464741800 /nfs/dbraw/zinc/74/18/00/464741800.db2.gz BNGFNVMKQBNLMX-UHFFFAOYSA-N 0 3 335.429 2.044 20 10 EECDHN COc1ccc(N2CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC000371591040 465892458 /nfs/dbraw/zinc/89/24/58/465892458.db2.gz REFLMFHVFHKIHU-GOSISDBHSA-N 0 3 333.476 2.320 20 10 EECDHN Cc1cnn([C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000365620574 466884576 /nfs/dbraw/zinc/88/45/76/466884576.db2.gz SRQKAYKAXWUGDR-IBGZPJMESA-N 0 3 326.444 2.475 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000374389674 467044644 /nfs/dbraw/zinc/04/46/44/467044644.db2.gz GJGJGQKIEAZIJR-MSOLQXFVSA-N 0 3 345.487 2.069 20 10 EECDHN OC[C@@H]1C[C@@H](O)CN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377619044 467098012 /nfs/dbraw/zinc/09/80/12/467098012.db2.gz DGCIPSJOZMNIRQ-VQTJNVASSA-N 0 3 338.451 2.177 20 10 EECDHN COc1ccc(N2CCC(NC(=O)N3CCCN(C)CC3)CC2)cc1 ZINC000726715423 576291538 /nfs/dbraw/zinc/29/15/38/576291538.db2.gz SCKYBGIXQOWHEV-UHFFFAOYSA-N 0 3 346.475 2.011 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(C)CC(C)(C)C)CC2)cc1 ZINC000726971450 576363241 /nfs/dbraw/zinc/36/32/41/576363241.db2.gz JIJGAWQSQBFWBL-UHFFFAOYSA-N 0 3 333.476 2.322 20 10 EECDHN CC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000771868299 577235235 /nfs/dbraw/zinc/23/52/35/577235235.db2.gz JWPJFWHPNXLYLC-HZPDHXFCSA-N 0 3 345.409 2.230 20 10 EECDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000775131313 577430739 /nfs/dbraw/zinc/43/07/39/577430739.db2.gz VKCLURNRECUUPN-OLZOCXBDSA-N 0 3 331.368 2.211 20 10 EECDHN CN1CCN(c2ccc(CN3CCN(C4CCC4)CC3)cc2)CC1 ZINC000775702426 577443205 /nfs/dbraw/zinc/44/32/05/577443205.db2.gz VVUQGXOMUZCXEC-UHFFFAOYSA-N 0 3 328.504 2.109 20 10 EECDHN C[C@H](NCc1ccc(OCC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000765406187 577500380 /nfs/dbraw/zinc/50/03/80/577500380.db2.gz QZBXZPLLCPSYOB-AWEZNQCLSA-N 0 3 327.428 2.468 20 10 EECDHN CCN1C[C@H](C)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000766255311 577515999 /nfs/dbraw/zinc/51/59/99/577515999.db2.gz VXYOTUMUYNHSDM-SJORKVTESA-N 0 3 346.519 2.126 20 10 EECDHN CCOc1ccc(C[N@H+](CCC(=O)OC)C[C@H]2CCCO2)c([O-])c1 ZINC000769445080 577578042 /nfs/dbraw/zinc/57/80/42/577578042.db2.gz BNMYFCLEIJNBNO-MRXNPFEDSA-N 0 3 337.416 2.335 20 10 EECDHN CCOc1ccc(C[N@@H+](CCC(=O)OC)C[C@H]2CCCO2)c([O-])c1 ZINC000769445080 577578043 /nfs/dbraw/zinc/57/80/43/577578043.db2.gz BNMYFCLEIJNBNO-MRXNPFEDSA-N 0 3 337.416 2.335 20 10 EECDHN CCOC(=O)c1ccc(N2CC([NH2+]Cc3cc(F)ccc3[O-])C2)nc1 ZINC000753570223 577790140 /nfs/dbraw/zinc/79/01/40/577790140.db2.gz PGKNTGMOKIYYOP-UHFFFAOYSA-N 0 3 345.374 2.081 20 10 EECDHN Cc1ccc(O)c([C@H](C)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000756836401 577850900 /nfs/dbraw/zinc/85/09/00/577850900.db2.gz AGKARUCANRVKDP-WWGRRREGSA-N 0 3 328.416 2.279 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCCOC2)N(C)C)cc1 ZINC000891246801 676240322 /nfs/dbraw/zinc/24/03/22/676240322.db2.gz DTTRDSRFOGOWJC-PKOBYXMFSA-N 0 3 333.476 2.288 20 10 EECDHN COC(=O)C[C@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250589 676245451 /nfs/dbraw/zinc/24/54/51/676245451.db2.gz XTAXHOOEEJLXEO-PBHICJAKSA-N 0 3 349.475 2.061 20 10 EECDHN COc1ccc(CNC(=O)CNCc2cc(C)cc(OC)c2O)cc1 ZINC000894207155 681234356 /nfs/dbraw/zinc/23/43/56/681234356.db2.gz RBFRTIKVKYFMCB-UHFFFAOYSA-N 0 3 344.411 2.124 20 10 EECDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCOC1 ZINC000893242563 684227115 /nfs/dbraw/zinc/22/71/15/684227115.db2.gz YUPVWPXZZIEJMG-ZVZYQTTQSA-N 0 3 348.491 2.080 20 10 EECDHN CO[C@H](C)CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100538 693612661 /nfs/dbraw/zinc/61/26/61/693612661.db2.gz AKOCNJIGPFHPAB-PBHICJAKSA-N 0 3 336.480 2.032 20 10 EECDHN O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001270068935 1184825248 /nfs/dbraw/zinc/82/52/48/1184825248.db2.gz FRDIARFRFPTWDV-UHFFFAOYSA-N 0 3 346.427 2.284 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618703 1190933127 /nfs/dbraw/zinc/93/31/27/1190933127.db2.gz NMHFMAMZLDAVSQ-SFHVURJKSA-N 0 3 327.384 2.005 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618703 1190933129 /nfs/dbraw/zinc/93/31/29/1190933129.db2.gz NMHFMAMZLDAVSQ-SFHVURJKSA-N 0 3 327.384 2.005 20 10 EECDHN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877147680 1199869985 /nfs/dbraw/zinc/86/99/85/1199869985.db2.gz ZJZRKLMXPBDCPJ-LSDHHAIUSA-N 0 3 333.476 2.041 20 10 EECDHN CCOC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879648958 1201193917 /nfs/dbraw/zinc/19/39/17/1201193917.db2.gz HKJLKAFSIJPLNI-KGLIPLIRSA-N 0 3 348.443 2.233 20 10 EECDHN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](N)CC2CC2)cc1 ZINC000884304979 1202288697 /nfs/dbraw/zinc/28/86/97/1202288697.db2.gz ICMQTQQRUAGALT-OALUTQOASA-N 0 3 345.487 2.388 20 10 EECDHN COC1(CC(=O)N2CCC3(CN(Cc4ccccc4O)C3)C2)CCC1 ZINC001275264776 1205293615 /nfs/dbraw/zinc/29/36/15/1205293615.db2.gz DZYRLSMHGVUYNJ-UHFFFAOYSA-N 0 3 344.455 2.386 20 10 EECDHN CN(C)C(=O)CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001275266575 1205294041 /nfs/dbraw/zinc/29/40/41/1205294041.db2.gz AZSMBRLTMJWTFE-FQEVSTJZSA-N 0 3 345.487 2.158 20 10 EECDHN CN(C)C(=O)CN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001275266575 1205294043 /nfs/dbraw/zinc/29/40/43/1205294043.db2.gz AZSMBRLTMJWTFE-FQEVSTJZSA-N 0 3 345.487 2.158 20 10 EECDHN Cc1ccc(CN2CC3(CN(Cc4cccc(=O)[nH]4)C3)C2)c(O)c1 ZINC001276168173 1205811236 /nfs/dbraw/zinc/81/12/36/1205811236.db2.gz BRFBBPYVUHEPBU-UHFFFAOYSA-N 0 3 325.412 2.119 20 10 EECDHN Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC000930617828 1206570868 /nfs/dbraw/zinc/57/08/68/1206570868.db2.gz SECMFASSJBUZBB-SFHVURJKSA-N 0 3 341.459 2.302 20 10 EECDHN CC(C)CN1CC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185637 1234073628 /nfs/dbraw/zinc/07/36/28/1234073628.db2.gz QGDQEHIPZIQXOF-QGZVFWFLSA-N 0 3 346.475 2.276 20 10 EECDHN C[C@@H]1CN(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C[C@@H](C)O1 ZINC000851841087 1291877497 /nfs/dbraw/zinc/87/74/97/1291877497.db2.gz MTOCZTBACKAPRX-ZHALLVOQSA-N 0 3 348.487 2.482 20 10 EECDHN C[C@@H]1CN(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C[C@@H](C)O1 ZINC000851841087 1291877509 /nfs/dbraw/zinc/87/75/09/1291877509.db2.gz MTOCZTBACKAPRX-ZHALLVOQSA-N 0 3 348.487 2.482 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC001276866812 1299989954 /nfs/dbraw/zinc/98/99/54/1299989954.db2.gz WFWQQZQOILUEBZ-GXFFZTMASA-N 0 3 341.249 2.299 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1Br ZINC001276866812 1299989957 /nfs/dbraw/zinc/98/99/57/1299989957.db2.gz WFWQQZQOILUEBZ-GXFFZTMASA-N 0 3 341.249 2.299 20 10 EECDHN CN(C(=O)[C@H]1CC12CN(Cc1ccccc1O)C2)C1CC(F)(F)C1 ZINC001277446626 1303080999 /nfs/dbraw/zinc/08/09/99/1303080999.db2.gz RUETUDSKFMQIKX-CQSZACIVSA-N 0 3 336.382 2.470 20 10 EECDHN COc1cc(NC(=O)CNCc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000781050127 1303729993 /nfs/dbraw/zinc/72/99/93/1303729993.db2.gz SZJYCLOPVYHZDG-UHFFFAOYSA-N 0 3 343.427 2.498 20 10 EECDHN COC[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000781426756 1303793517 /nfs/dbraw/zinc/79/35/17/1303793517.db2.gz MPFDJCSLGHEDRO-ZFWWWQNUSA-N 0 3 342.867 2.489 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001236790750 1305677865 /nfs/dbraw/zinc/67/78/65/1305677865.db2.gz XSNXHRPWMCSAQN-NXHRZFHOSA-N 0 3 332.444 2.211 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001236790750 1305677867 /nfs/dbraw/zinc/67/78/67/1305677867.db2.gz XSNXHRPWMCSAQN-NXHRZFHOSA-N 0 3 332.444 2.211 20 10 EECDHN COc1cc(CN2CC[C@](CO)(C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237669759 1306038808 /nfs/dbraw/zinc/03/88/08/1306038808.db2.gz NBIHMFQMDIRCJQ-AWEZNQCLSA-N 0 3 335.322 2.156 20 10 EECDHN Cc1noc(C[C@@H]2C[C@H]3CN(Cc4cc(F)cc(C)c4O)C[C@H]3O2)n1 ZINC001238061394 1306205192 /nfs/dbraw/zinc/20/51/92/1306205192.db2.gz MEDLIIGIMJJEHR-VBNZEHGJSA-N 0 3 347.390 2.363 20 10 EECDHN Nc1ccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000841300252 1315525259 /nfs/dbraw/zinc/52/52/59/1315525259.db2.gz ODBTWRHKJSXGCT-LJQANCHMSA-N 0 3 340.427 2.027 20 10 EECDHN COc1ccnc(N2CCN(Cc3cc(F)c(F)cc3O)CC2)c1 ZINC001142530699 1315652545 /nfs/dbraw/zinc/65/25/45/1315652545.db2.gz KEQFDIYZGNOCJR-UHFFFAOYSA-N 0 3 335.354 2.396 20 10 EECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@](C)(O)c1ccccc1 ZINC000842626245 1315736778 /nfs/dbraw/zinc/73/67/78/1315736778.db2.gz NOYYWEMYUDEYQD-PKOBYXMFSA-N 0 3 329.396 2.158 20 10 EECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@](C)(O)c1ccccc1 ZINC000842626245 1315736779 /nfs/dbraw/zinc/73/67/79/1315736779.db2.gz NOYYWEMYUDEYQD-PKOBYXMFSA-N 0 3 329.396 2.158 20 10 EECDHN O=C(NCc1cccnc1)[C@H]1C[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552279 1321910528 /nfs/dbraw/zinc/91/05/28/1321910528.db2.gz HKJUGJIELPYWCB-YLJYHZDGSA-N 0 3 337.423 2.316 20 10 EECDHN O=C(NCc1cccnc1)[C@H]1C[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552279 1321910531 /nfs/dbraw/zinc/91/05/31/1321910531.db2.gz HKJUGJIELPYWCB-YLJYHZDGSA-N 0 3 337.423 2.316 20 10 EECDHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C[C@H]21 ZINC001203932387 1321993914 /nfs/dbraw/zinc/99/39/14/1321993914.db2.gz ZVUMITVEEQDJPS-CEXWTWQISA-N 0 3 345.487 2.068 20 10 EECDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])C[C@@H]1c1ccccc1 ZINC001204281771 1322103096 /nfs/dbraw/zinc/10/30/96/1322103096.db2.gz IQXFQCNQGIVUMU-IAGOWNOFSA-N 0 3 327.380 2.486 20 10 EECDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])C[C@@H]1c1ccccc1 ZINC001204281771 1322103100 /nfs/dbraw/zinc/10/31/00/1322103100.db2.gz IQXFQCNQGIVUMU-IAGOWNOFSA-N 0 3 327.380 2.486 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1Br ZINC001206435096 1323492472 /nfs/dbraw/zinc/49/24/72/1323492472.db2.gz JRDTTXHIJXPIFU-UWVGGRQHSA-N 0 3 333.201 2.034 20 10 EECDHN COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783523007 1371359302 /nfs/dbraw/zinc/35/93/02/1371359302.db2.gz DISDNALTTSNWLA-QAPCUYQASA-N 0 3 342.439 2.417 20 10 EECDHN COc1ccc(CN[C@@H](CO)CNC(=O)c2ccc(C)cc2)cc1C ZINC001755646041 1407700984 /nfs/dbraw/zinc/70/09/84/1407700984.db2.gz ZQJHLMPPGHRWOB-GOSISDBHSA-N 0 3 342.439 2.193 20 10 EECDHN CC(=O)c1cc(F)cc(CN2CCC(CO)([NH2+]C(C)C)CC2)c1[O-] ZINC000846945706 790763153 /nfs/dbraw/zinc/76/31/53/790763153.db2.gz PKPKRYQNZYLJCO-UHFFFAOYSA-N 0 3 338.423 2.059 20 10 EECDHN C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000894075537 780503723 /nfs/dbraw/zinc/50/37/23/780503723.db2.gz DLWSKPBQQGZGGF-SUMWQHHRSA-N 0 3 339.430 2.128 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](CCO)CC2)cc1 ZINC000817298140 784664338 /nfs/dbraw/zinc/66/43/38/784664338.db2.gz GUGYPYDOLJTSET-QGZVFWFLSA-N 0 3 347.503 2.196 20 10 EECDHN COc1cccc(CN[C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000825035900 788408695 /nfs/dbraw/zinc/40/86/95/788408695.db2.gz VGWJNJQIPUUMDL-AWEZNQCLSA-N 0 3 328.412 2.238 20 10 EECDHN CC(C)(C)OC(=O)N1C[C@H](NCc2ccc3c(c2)CCO3)CC1=O ZINC001171687353 796710248 /nfs/dbraw/zinc/71/02/48/796710248.db2.gz JSSONAQDVYMOPP-CQSZACIVSA-N 0 3 332.400 2.247 20 10 EECDHN COc1cccc(CN(C)CCN2C(=O)c3ccccc3C2=O)c1O ZINC000093837852 237051726 /nfs/dbraw/zinc/05/17/26/237051726.db2.gz GHHCEIWFBIYJGD-UHFFFAOYSA-N 0 3 340.379 2.129 20 10 EECDHN O=C1CCCN1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093087920 237041814 /nfs/dbraw/zinc/04/18/14/237041814.db2.gz ZZVCDTLONXCBNQ-UHFFFAOYSA-N 0 3 343.471 2.110 20 10 EECDHN CN(C)c1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000159367026 463283026 /nfs/dbraw/zinc/28/30/26/463283026.db2.gz PLXNKEAROALCKK-QGZVFWFLSA-N 0 3 339.505 2.046 20 10 EECDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1C1CC1 ZINC000126125165 463607872 /nfs/dbraw/zinc/60/78/72/463607872.db2.gz RATUKIIQAXJTQX-DOTOQJQBSA-N 0 3 340.471 2.487 20 10 EECDHN CC[C@H](N[C@H](C)c1ccc(N(C)CC)cc1)C(=O)N1CCOCC1 ZINC000165055866 463639145 /nfs/dbraw/zinc/63/91/45/463639145.db2.gz FPGFCUSYEHYNMM-QAPCUYQASA-N 0 3 333.476 2.431 20 10 EECDHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000185202672 463777541 /nfs/dbraw/zinc/77/75/41/463777541.db2.gz MLGPSNPYTVPLKE-CYBMUJFWSA-N 0 3 348.422 2.018 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C)[C@@H]1CC)cc2=O ZINC000185620244 463851250 /nfs/dbraw/zinc/85/12/50/463851250.db2.gz NJNHDDSVGCRAHQ-RISCZKNCSA-N 0 3 332.404 2.232 20 10 EECDHN C[C@@H]1CN(CCCNC(=O)N(C)Cc2ccccc2O)CCCO1 ZINC000277782278 463932801 /nfs/dbraw/zinc/93/28/01/463932801.db2.gz UIPHBSQZBOBHKO-OAHLLOKOSA-N 0 3 335.448 2.035 20 10 EECDHN COc1c([O-])c(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278236132 463959088 /nfs/dbraw/zinc/95/90/88/463959088.db2.gz NFDQXUNCQMYHJR-ZDUSSCGKSA-N 0 3 335.404 2.227 20 10 EECDHN CCCOc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000290199915 464110925 /nfs/dbraw/zinc/11/09/25/464110925.db2.gz UPXBMIHKEXOFQC-CYBMUJFWSA-N 0 3 327.446 2.095 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1)OCO2 ZINC000263673113 464148216 /nfs/dbraw/zinc/14/82/16/464148216.db2.gz KKZNSSINENPQDI-ZDUSSCGKSA-N 0 3 333.359 2.201 20 10 EECDHN O=C(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])N1CCOCC1 ZINC000263727010 464168575 /nfs/dbraw/zinc/16/85/75/464168575.db2.gz XKOSLJHJABBWPZ-UHFFFAOYSA-N 0 3 340.423 2.398 20 10 EECDHN COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000264591558 464385848 /nfs/dbraw/zinc/38/58/48/464385848.db2.gz GVEBKACTCXTFGS-MRXNPFEDSA-N 0 3 345.395 2.051 20 10 EECDHN COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000264591558 464385853 /nfs/dbraw/zinc/38/58/53/464385853.db2.gz GVEBKACTCXTFGS-MRXNPFEDSA-N 0 3 345.395 2.051 20 10 EECDHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]Cc2ccccc2[O-])CC1 ZINC000272890777 464692832 /nfs/dbraw/zinc/69/28/32/464692832.db2.gz SLSQATSMKYCMJK-CQSZACIVSA-N 0 3 348.443 2.062 20 10 EECDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000282487546 464836870 /nfs/dbraw/zinc/83/68/70/464836870.db2.gz XGNWFGGKVRIXHG-IINYFYTJSA-N 0 3 329.366 2.386 20 10 EECDHN Cc1cc(Br)cc(CN2CCO[C@H](CN(C)C)C2)c1O ZINC000183399317 464859626 /nfs/dbraw/zinc/85/96/26/464859626.db2.gz BLHUCPSZJQIZPM-CQSZACIVSA-N 0 3 343.265 2.226 20 10 EECDHN C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090182457 533980901 /nfs/dbraw/zinc/98/09/01/533980901.db2.gz VOVHCXXXONTZRR-DZGCQCFKSA-N 0 3 347.434 2.076 20 10 EECDHN CN1CCN(c2ccc(CN[C@@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000771845861 577234091 /nfs/dbraw/zinc/23/40/91/577234091.db2.gz JIKKYGOFUBWEEP-GOSISDBHSA-N 0 3 325.460 2.329 20 10 EECDHN CC(=O)NCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769057385 577568358 /nfs/dbraw/zinc/56/83/58/577568358.db2.gz UURFLEOFZXSOJJ-UHFFFAOYSA-N 0 3 349.450 2.010 20 10 EECDHN COc1cccc([O-])c1CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000769191441 577572036 /nfs/dbraw/zinc/57/20/36/577572036.db2.gz ANAUQAZNRSDMNK-IAGOWNOFSA-N 0 3 347.503 2.391 20 10 EECDHN CC1(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)OCCO1 ZINC000769400382 577577038 /nfs/dbraw/zinc/57/70/38/577577038.db2.gz SVQVBOFWKAYTRN-UHFFFAOYSA-N 0 3 346.471 2.498 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000754081226 577799952 /nfs/dbraw/zinc/79/99/52/577799952.db2.gz PVWJQEIKRPHPOH-LPHOPBHVSA-N 0 3 331.412 2.365 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc(O)c2)N(C)C)cc1 ZINC000891246717 676239592 /nfs/dbraw/zinc/23/95/92/676239592.db2.gz CHVDIDWYNSAPLD-LJQANCHMSA-N 0 3 341.455 2.420 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2nccnc2Cl)N(C)C)cc1 ZINC000891248135 676243359 /nfs/dbraw/zinc/24/33/59/676243359.db2.gz VXJCMWQKIRDNJX-CQSZACIVSA-N 0 3 347.850 2.229 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2CCOCC2)N(C)C)cc1 ZINC000892547049 681719108 /nfs/dbraw/zinc/71/91/08/681719108.db2.gz USEAJRMVFYCPCM-GOSISDBHSA-N 0 3 348.491 2.081 20 10 EECDHN COc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(O)c1OC ZINC000894409913 682842254 /nfs/dbraw/zinc/84/22/54/682842254.db2.gz UUWYNAHWMWJBBH-RYUDHWBXSA-N 0 3 349.349 2.402 20 10 EECDHN CCN(CCOC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101411 693606392 /nfs/dbraw/zinc/60/63/92/693606392.db2.gz HTRFNSVZYMXYAL-KRWDZBQOSA-N 0 3 336.480 2.033 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@H]2CCOC2)N(C)C)cc1 ZINC000899102604 693606968 /nfs/dbraw/zinc/60/69/68/693606968.db2.gz RFZALLUNMFSHSU-QAPCUYQASA-N 0 3 348.491 2.033 20 10 EECDHN OC[C@H]1CN(Cc2cc(F)c(F)cc2O)CCN1Cc1ccccc1 ZINC001142508766 1188207293 /nfs/dbraw/zinc/20/72/93/1188207293.db2.gz KQNIOJNNBCABNB-MRXNPFEDSA-N 0 3 348.393 2.349 20 10 EECDHN COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618284 1190933312 /nfs/dbraw/zinc/93/33/12/1190933312.db2.gz FAJQJFZGNLPJKD-MRXNPFEDSA-N 0 3 332.444 2.147 20 10 EECDHN O=C(NCc1cnoc1)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619775 1190934529 /nfs/dbraw/zinc/93/45/29/1190934529.db2.gz ZFMPXPGNOXXNNW-MRXNPFEDSA-N 0 3 341.411 2.299 20 10 EECDHN CC(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982132 1194291245 /nfs/dbraw/zinc/29/12/45/1194291245.db2.gz GFHSJHREBNPOEA-IBGZPJMESA-N 0 3 346.427 2.095 20 10 EECDHN CC(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982132 1194291248 /nfs/dbraw/zinc/29/12/48/1194291248.db2.gz GFHSJHREBNPOEA-IBGZPJMESA-N 0 3 346.427 2.095 20 10 EECDHN COC[C@@H](C)N1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699882 1195091603 /nfs/dbraw/zinc/09/16/03/1195091603.db2.gz QWJPTKKUNUNPCS-DOMZBBRYSA-N 0 3 347.419 2.030 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]CC[C@](O)(c1nccn1C)C(F)(F)F ZINC000877146965 1199869677 /nfs/dbraw/zinc/86/96/77/1199869677.db2.gz YCIDEQGDQGWTOP-HNNXBMFYSA-N 0 3 343.349 2.364 20 10 EECDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000879650002 1201193318 /nfs/dbraw/zinc/19/33/18/1201193318.db2.gz XFMSMNQAXBIURE-PXAZEXFGSA-N 0 3 335.425 2.180 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273984561 1202210973 /nfs/dbraw/zinc/21/09/73/1202210973.db2.gz JUADXLBWKLNZDY-YWZLYKJASA-N 0 3 343.471 2.155 20 10 EECDHN [O-]c1ccc(Cl)cc1CN1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001275275991 1205295717 /nfs/dbraw/zinc/29/57/17/1205295717.db2.gz FHINNQKECATAOZ-UHFFFAOYSA-N 0 3 346.862 2.450 20 10 EECDHN [O-]c1ccc(Cl)cc1CN1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001275275991 1205295718 /nfs/dbraw/zinc/29/57/18/1205295718.db2.gz FHINNQKECATAOZ-UHFFFAOYSA-N 0 3 346.862 2.450 20 10 EECDHN CN(C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000779489658 1210395375 /nfs/dbraw/zinc/39/53/75/1210395375.db2.gz RGVBPXPNGJRMGB-FPISAVPCSA-N 0 3 340.423 2.400 20 10 EECDHN COCCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000826796663 1248071538 /nfs/dbraw/zinc/07/15/38/1248071538.db2.gz MOKUWOXKTMOXOD-QGZVFWFLSA-N 0 3 349.402 2.250 20 10 EECDHN CCN(C)C(=O)CO[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203936145 1285701960 /nfs/dbraw/zinc/70/19/60/1285701960.db2.gz JOAOOPORMZVPGE-GOSISDBHSA-N 0 3 333.476 2.212 20 10 EECDHN OCc1cc(NCc2cc(F)c(N3CCOCC3)c(F)c2)ccn1 ZINC000858566878 1294155905 /nfs/dbraw/zinc/15/59/05/1294155905.db2.gz JGAZNPQFPQQLGS-UHFFFAOYSA-N 0 3 335.354 2.301 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c1[O-] ZINC000858602086 1294164130 /nfs/dbraw/zinc/16/41/30/1294164130.db2.gz PUSKTESHAWOPRG-YPMHNXCESA-N 0 3 343.265 2.180 20 10 EECDHN O=C([C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2)N1CC=CC1 ZINC001277196513 1301766586 /nfs/dbraw/zinc/76/65/86/1301766586.db2.gz JGMUWTSPNZJYGN-PXNSSMCTSA-N 0 3 342.439 2.488 20 10 EECDHN O=C([C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2)N1CC=CC1 ZINC001277196513 1301766591 /nfs/dbraw/zinc/76/65/91/1301766591.db2.gz JGMUWTSPNZJYGN-PXNSSMCTSA-N 0 3 342.439 2.488 20 10 EECDHN CCN1C[C@@H]2C[C@H]1CN2Cc1c(Br)ccc(OC)c1O ZINC001231556148 1303844455 /nfs/dbraw/zinc/84/44/55/1303844455.db2.gz YBIRODUBUIDLJS-QWRGUYRKSA-N 0 3 341.249 2.442 20 10 EECDHN Cc1cccc(CN2C[C@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001231590796 1303858307 /nfs/dbraw/zinc/85/83/07/1303858307.db2.gz HZVAWBUEGDGDLQ-LSDHHAIUSA-N 0 3 336.432 2.161 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC2(C[C@@H]2C(=O)N(C)C)CC1 ZINC001231852006 1303930868 /nfs/dbraw/zinc/93/08/68/1303930868.db2.gz KPGRZRUFYACCBV-QGZVFWFLSA-N 0 3 345.487 2.452 20 10 EECDHN COc1cc([O-])c(C[NH2+]C23CC(C(=O)NC(C)(C)C)(C2)C3)c(OC)c1 ZINC001277587975 1303948712 /nfs/dbraw/zinc/94/87/12/1303948712.db2.gz APWDXKZOQHFERZ-UHFFFAOYSA-N 0 3 348.443 2.336 20 10 EECDHN O=C1N(CC2CC2)CC[C@]12CCCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233011267 1304326662 /nfs/dbraw/zinc/32/66/62/1304326662.db2.gz DNWXVHHUQSAXEE-IBGZPJMESA-N 0 3 346.427 2.028 20 10 EECDHN COc1cc(O)c(CN2CCN3CC[C@H]3C2)cc1Br ZINC001233142981 1304374649 /nfs/dbraw/zinc/37/46/49/1304374649.db2.gz UFCVHXQQTALOJC-NSHDSACASA-N 0 3 327.222 2.053 20 10 EECDHN COc1cc(O)c(CN2CCN3CC[C@@H]3C2)cc1Br ZINC001233142980 1304375038 /nfs/dbraw/zinc/37/50/38/1304375038.db2.gz UFCVHXQQTALOJC-LLVKDONJSA-N 0 3 327.222 2.053 20 10 EECDHN COc1cccc(O[C@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486913 1304478907 /nfs/dbraw/zinc/47/89/07/1304478907.db2.gz HZGYJZYZCHOUFB-ZDUSSCGKSA-N 0 3 346.383 2.250 20 10 EECDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000798963461 1305124396 /nfs/dbraw/zinc/12/43/96/1305124396.db2.gz FFCVLCAUXQLTLW-GOSISDBHSA-N 0 3 337.416 2.193 20 10 EECDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000798963461 1305124401 /nfs/dbraw/zinc/12/44/01/1305124401.db2.gz FFCVLCAUXQLTLW-GOSISDBHSA-N 0 3 337.416 2.193 20 10 EECDHN COc1cc(CN2CCN3CC[C@@H]3C2)c(O)cc1Br ZINC001236752232 1305658248 /nfs/dbraw/zinc/65/82/48/1305658248.db2.gz UXFQBADHPBYJJR-LLVKDONJSA-N 0 3 327.222 2.053 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)c([O-])c1 ZINC001236786917 1305676158 /nfs/dbraw/zinc/67/61/58/1305676158.db2.gz SDGCVDQTGZAUAU-ZHALLVOQSA-N 0 3 346.471 2.270 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)c([O-])c1 ZINC001236786917 1305676165 /nfs/dbraw/zinc/67/61/65/1305676165.db2.gz SDGCVDQTGZAUAU-ZHALLVOQSA-N 0 3 346.471 2.270 20 10 EECDHN COCCN1C[C@@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]2C1=O ZINC001236833972 1305693016 /nfs/dbraw/zinc/69/30/16/1305693016.db2.gz ZUFVYXLVPDMMDL-ROUUACIJSA-N 0 3 340.423 2.082 20 10 EECDHN COCCN1C[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]2C1=O ZINC001236833972 1305693020 /nfs/dbraw/zinc/69/30/20/1305693020.db2.gz ZUFVYXLVPDMMDL-ROUUACIJSA-N 0 3 340.423 2.082 20 10 EECDHN Cc1cc(F)cc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c1[O-] ZINC001238068778 1306207788 /nfs/dbraw/zinc/20/77/88/1306207788.db2.gz FQZNSWVKOAJBOQ-UHFFFAOYSA-N 0 3 336.407 2.099 20 10 EECDHN Cc1cc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)n(C)n1 ZINC001139409929 1314740854 /nfs/dbraw/zinc/74/08/54/1314740854.db2.gz VSQCDSGOOXPSCT-UHFFFAOYSA-N 0 3 327.476 2.112 20 10 EECDHN OC1CCN(c2ccc(CN3CC(N4CCCCC4)C3)cc2)CC1 ZINC001140288642 1314854196 /nfs/dbraw/zinc/85/41/96/1314854196.db2.gz XRUPSALIFRUZKW-UHFFFAOYSA-N 0 3 329.488 2.318 20 10 EECDHN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834902912 1314887423 /nfs/dbraw/zinc/88/74/23/1314887423.db2.gz DUZPNWPYJKCKLM-FDQGKXFDSA-N 0 3 338.423 2.117 20 10 EECDHN CO[C@@H]1CN(Cc2cc(C)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140624117 1314916968 /nfs/dbraw/zinc/91/69/68/1314916968.db2.gz HARLIFLWHQLSBZ-GOEBONIOSA-N 0 3 336.432 2.425 20 10 EECDHN COc1cccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000840967641 1315448429 /nfs/dbraw/zinc/44/84/29/1315448429.db2.gz PWKCLFXFECTTKY-OAHLLOKOSA-N 0 3 330.359 2.435 20 10 EECDHN O=C(N[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO[C@H]12)C1CCC1 ZINC001203551325 1321910537 /nfs/dbraw/zinc/91/05/37/1321910537.db2.gz CJTVGUGZLFYFHS-SCTDSRPQSA-N 0 3 344.455 2.288 20 10 EECDHN O=C(N[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO[C@H]12)C1CCC1 ZINC001203551325 1321910539 /nfs/dbraw/zinc/91/05/39/1321910539.db2.gz CJTVGUGZLFYFHS-SCTDSRPQSA-N 0 3 344.455 2.288 20 10 EECDHN COc1ccnc(O[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203935320 1321994739 /nfs/dbraw/zinc/99/47/39/1321994739.db2.gz DHAITSOLRQCTNX-MRXNPFEDSA-N 0 3 328.416 2.205 20 10 EECDHN O=C1COCCN1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329181 1322113497 /nfs/dbraw/zinc/11/34/97/1322113497.db2.gz FGFFURZSDOEQIL-UHFFFAOYSA-N 0 3 343.471 2.110 20 10 EECDHN Cc1ncccc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001262350998 1322286543 /nfs/dbraw/zinc/28/65/43/1322286543.db2.gz MMWCVMAKXMIGIU-LJQANCHMSA-N 0 3 340.471 2.418 20 10 EECDHN COc1ccc(N2CCN(C[C@@H]3CCCC[C@H]3O)CC2)c(OC)c1 ZINC001308014209 1331558542 /nfs/dbraw/zinc/55/85/42/1331558542.db2.gz KTWHEAFPMULWAR-MAUKXSAKSA-N 0 3 334.460 2.377 20 10 EECDHN O=C(NCc1c(O)cccc1F)Nc1ccnc([C@@H]2CCCN2)n1 ZINC001580707734 1344552606 /nfs/dbraw/zinc/55/26/06/1344552606.db2.gz FJUKFVPDJDSCBF-LBPRGKRZSA-N 0 3 331.351 2.068 20 10 EECDHN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920868903 770890215 /nfs/dbraw/zinc/89/02/15/770890215.db2.gz FBYXLTWQMLQZLT-ARFHVFGLSA-N 0 3 333.476 2.477 20 10 EECDHN CC[C@H](C(=O)NCCC1=CCN(c2cc(C)nc(C)n2)CC1)N(C)C ZINC001089834582 777424650 /nfs/dbraw/zinc/42/46/50/777424650.db2.gz JCIVIEQBYCDFJD-QGZVFWFLSA-N 0 3 345.491 2.076 20 10 EECDHN COc1cc(C)cc(CN(CCO)CCOCC(F)(F)F)c1O ZINC000894016660 780425779 /nfs/dbraw/zinc/42/57/79/780425779.db2.gz HOBXBXXCUOXLTO-UHFFFAOYSA-N 0 3 337.338 2.082 20 10 EECDHN OC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(F)(F)F ZINC000809697988 783285498 /nfs/dbraw/zinc/28/54/98/783285498.db2.gz SYBDWKFYAYXISQ-MNOVXSKESA-N 0 3 333.306 2.114 20 10 EECDHN COc1cccc([O-])c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787287987 807068349 /nfs/dbraw/zinc/06/83/49/807068349.db2.gz DMMWNWHDFVKFOS-UHFFFAOYSA-N 0 3 332.360 2.343 20 10 EECDHN C[C@]1(C(N)=O)CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000793391555 810315441 /nfs/dbraw/zinc/31/54/41/810315441.db2.gz ZGERQGMNUVEPEX-SFHVURJKSA-N 0 3 346.431 2.282 20 10 EECDHN C[C@@]1(C(N)=O)CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000793391549 810315485 /nfs/dbraw/zinc/31/54/85/810315485.db2.gz ZGERQGMNUVEPEX-GOSISDBHSA-N 0 3 346.431 2.282 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000093018057 237040944 /nfs/dbraw/zinc/04/09/44/237040944.db2.gz YLPGHFALJQDBKP-MRXNPFEDSA-N 0 3 334.460 2.335 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000093018057 237040948 /nfs/dbraw/zinc/04/09/48/237040948.db2.gz YLPGHFALJQDBKP-MRXNPFEDSA-N 0 3 334.460 2.335 20 10 EECDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@](C)(O)CN(C)C ZINC000152925264 462596678 /nfs/dbraw/zinc/59/66/78/462596678.db2.gz QWZZZAFHAUQLKT-KRWDZBQOSA-N 0 3 335.473 2.198 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1)OCO2 ZINC000263673111 464148074 /nfs/dbraw/zinc/14/80/74/464148074.db2.gz KKZNSSINENPQDI-CYBMUJFWSA-N 0 3 333.359 2.201 20 10 EECDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc3c(c2)CCCN3C)C1(C)C ZINC000188136335 464207719 /nfs/dbraw/zinc/20/77/19/464207719.db2.gz REQCUJIGZIYRNP-YLJYHZDGSA-N 0 3 345.487 2.218 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/CN(C)C)cc2F)C[C@@H](C)O1 ZINC000264648349 464408192 /nfs/dbraw/zinc/40/81/92/464408192.db2.gz RXCFDTOKKOMNFK-XEVLESSRSA-N 0 3 349.450 2.173 20 10 EECDHN CCN(CCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-])S(C)(=O)=O ZINC000293655560 464415544 /nfs/dbraw/zinc/41/55/44/464415544.db2.gz IUSZJZCYHNRZRE-CQSZACIVSA-N 0 3 328.478 2.331 20 10 EECDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000246188545 464556929 /nfs/dbraw/zinc/55/69/29/464556929.db2.gz IACUMYVKKSEALG-XJKSGUPXSA-N 0 3 336.455 2.373 20 10 EECDHN COc1ccc(O)c([C@H](C)NC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285811025 464703793 /nfs/dbraw/zinc/70/37/93/464703793.db2.gz WLWIEHLWGHLWNC-NHYWBVRUSA-N 0 3 348.365 2.315 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285811025 464703794 /nfs/dbraw/zinc/70/37/94/464703794.db2.gz WLWIEHLWGHLWNC-NHYWBVRUSA-N 0 3 348.365 2.315 20 10 EECDHN COc1ccc(O)c([C@@H](C)NC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285811023 464704081 /nfs/dbraw/zinc/70/40/81/464704081.db2.gz WLWIEHLWGHLWNC-IAQYHMDHSA-N 0 3 348.365 2.315 20 10 EECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285811023 464704088 /nfs/dbraw/zinc/70/40/88/464704088.db2.gz WLWIEHLWGHLWNC-IAQYHMDHSA-N 0 3 348.365 2.315 20 10 EECDHN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000273411079 464715720 /nfs/dbraw/zinc/71/57/20/464715720.db2.gz PPTGNNCAXKFURK-HNNXBMFYSA-N 0 3 345.487 2.086 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1[O-] ZINC000275381725 464772657 /nfs/dbraw/zinc/77/26/57/464772657.db2.gz XSAODOSAUODWOS-KOLCDFICSA-N 0 3 327.222 2.344 20 10 EECDHN C[C@H](NCC1([S@](C)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000282458108 464827112 /nfs/dbraw/zinc/82/71/12/464827112.db2.gz VLFKHMRWAQYDGR-NPMABZOXSA-N 0 3 340.464 2.224 20 10 EECDHN O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccccc1[O-] ZINC000372563289 466470865 /nfs/dbraw/zinc/47/08/65/466470865.db2.gz KEUBZOZNMUWVRK-UHFFFAOYSA-N 0 3 331.416 2.127 20 10 EECDHN COc1ccc(N2CCCN(CCn3ccccc3=O)CC2)cc1 ZINC000726186444 576243781 /nfs/dbraw/zinc/24/37/81/576243781.db2.gz ZWTZZQURYRSMHI-UHFFFAOYSA-N 0 3 327.428 2.069 20 10 EECDHN CN(C)CCOC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000732674482 577188034 /nfs/dbraw/zinc/18/80/34/577188034.db2.gz JENODGOTRIGHSN-UHFFFAOYSA-N 0 3 348.491 2.005 20 10 EECDHN CCNC(=O)NC(=O)[C@H](C)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000771790852 577229920 /nfs/dbraw/zinc/22/99/20/577229920.db2.gz HPEGBWVBUAVOMF-AWEZNQCLSA-N 0 3 334.464 2.197 20 10 EECDHN CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000773328847 577334165 /nfs/dbraw/zinc/33/41/65/577334165.db2.gz LRKLLMDBCQEKRR-VQIMIIECSA-N 0 3 349.427 2.229 20 10 EECDHN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000773328847 577334166 /nfs/dbraw/zinc/33/41/66/577334166.db2.gz LRKLLMDBCQEKRR-VQIMIIECSA-N 0 3 349.427 2.229 20 10 EECDHN CC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](O)C(F)(F)F ZINC000765786415 577507150 /nfs/dbraw/zinc/50/71/50/577507150.db2.gz FSSVPPORFVWIHE-HUUCEWRRSA-N 0 3 332.366 2.315 20 10 EECDHN CCOc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c([O-])c1 ZINC000769436790 577577899 /nfs/dbraw/zinc/57/78/99/577577899.db2.gz YQIQQLAYYPBYNL-GOSISDBHSA-N 0 3 345.443 2.470 20 10 EECDHN COc1ccnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891245295 676238072 /nfs/dbraw/zinc/23/80/72/676238072.db2.gz CCZWHXVEQLTEQR-GOSISDBHSA-N 0 3 342.443 2.189 20 10 EECDHN C[C@@H]1C[C@H](C)[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891248916 676244980 /nfs/dbraw/zinc/24/49/80/676244980.db2.gz OOSBYFGQLOKKOW-JFTQMJAMSA-N 0 3 333.476 2.285 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(F)F)N(C)C)cc1 ZINC000895048410 683521584 /nfs/dbraw/zinc/52/15/84/683521584.db2.gz IDXWICBBOGTJJT-CQSZACIVSA-N 0 3 328.407 2.310 20 10 EECDHN CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000896621052 685130105 /nfs/dbraw/zinc/13/01/05/685130105.db2.gz OUHKAKBDSPOMSE-CQSZACIVSA-N 0 3 328.840 2.255 20 10 EECDHN COCc1cc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000898449447 693319482 /nfs/dbraw/zinc/31/94/82/693319482.db2.gz GCPCBFYHEIAGFJ-GOSISDBHSA-N 0 3 332.448 2.280 20 10 EECDHN COCC1(C)CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899104173 693607375 /nfs/dbraw/zinc/60/73/75/693607375.db2.gz QHWVARKRJFZOHL-QGZVFWFLSA-N 0 3 348.491 2.033 20 10 EECDHN C[C@@H]1COCCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103907 693607519 /nfs/dbraw/zinc/60/75/19/693607519.db2.gz PCCCIKJXROGMLQ-CRAIPNDOSA-N 0 3 348.491 2.176 20 10 EECDHN CC[C@@H](C)N1C(=O)C[C@]2(CCCN(Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902354 1193597497 /nfs/dbraw/zinc/59/74/97/1193597497.db2.gz CROBWXRDBIZILI-YJYMSZOUSA-N 0 3 346.427 2.237 20 10 EECDHN CC(C)CN1C[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2)OCC1=O ZINC001272917267 1193603411 /nfs/dbraw/zinc/60/34/11/1193603411.db2.gz RFOUKCQSHZWGFQ-FQEVSTJZSA-N 0 3 345.487 2.212 20 10 EECDHN CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)N1CCN(C)CC1 ZINC000875048535 1199121376 /nfs/dbraw/zinc/12/13/76/1199121376.db2.gz UGIFUALVMHBSRC-NVXWUHKLSA-N 0 3 348.491 2.024 20 10 EECDHN CCOC(=O)C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876526563 1199657511 /nfs/dbraw/zinc/65/75/11/1199657511.db2.gz XGLFWURSWFICGE-UHFFFAOYSA-N 0 3 346.471 2.423 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000876898543 1199811570 /nfs/dbraw/zinc/81/15/70/1199811570.db2.gz CEHCXJCJMDAWEC-UHFFFAOYSA-N 0 3 331.416 2.045 20 10 EECDHN CCOC1CC(C[NH2+]Cc2c(C)cccc2[O-])(N2CCOCC2)C1 ZINC000877479254 1199942161 /nfs/dbraw/zinc/94/21/61/1199942161.db2.gz ABMQIBRUQSJTGE-UHFFFAOYSA-N 0 3 334.460 2.060 20 10 EECDHN CCOc1ccc(N2CCN(Cc3ccc(C)cc3O)CC2)nn1 ZINC000877641384 1199999596 /nfs/dbraw/zinc/99/95/96/1199999596.db2.gz TVYFCEBEXRGBDP-UHFFFAOYSA-N 0 3 328.416 2.212 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@]3(CCN([C@H](C)C(C)=O)C3=O)C2)c([O-])c1 ZINC001274652969 1205117331 /nfs/dbraw/zinc/11/73/31/1205117331.db2.gz FFBQGRMCRIAKHD-VLIAUNLRSA-N 0 3 344.455 2.357 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@]3(CCN([C@H](C)C(C)=O)C3=O)C2)c([O-])c1 ZINC001274652969 1205117335 /nfs/dbraw/zinc/11/73/35/1205117335.db2.gz FFBQGRMCRIAKHD-VLIAUNLRSA-N 0 3 344.455 2.357 20 10 EECDHN CCOc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)cc1 ZINC001274798389 1205167555 /nfs/dbraw/zinc/16/75/55/1205167555.db2.gz HVOFPIMMHITRJU-QZTJIDSGSA-N 0 3 331.460 2.217 20 10 EECDHN COCCOCN1CC2(C1)CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001276169784 1205811838 /nfs/dbraw/zinc/81/18/38/1205811838.db2.gz WLHFNTJGIVHPIE-UHFFFAOYSA-N 0 3 334.460 2.219 20 10 EECDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000188135884 1208626804 /nfs/dbraw/zinc/62/68/04/1208626804.db2.gz FNBJTRVMVWEEPK-YJBOKZPZSA-N 0 3 337.439 2.040 20 10 EECDHN C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CN1Cc1ccccc1 ZINC000193132870 1210737975 /nfs/dbraw/zinc/73/79/75/1210737975.db2.gz CAASBLIHPPOROT-ZFWWWQNUSA-N 0 3 326.396 2.491 20 10 EECDHN CC[C@@H](C)N1CC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184737 1234073339 /nfs/dbraw/zinc/07/33/39/1234073339.db2.gz FXPTZSKEXVRDJH-PBHICJAKSA-N 0 3 346.475 2.418 20 10 EECDHN COc1cc(C(=O)N(C)CCN(C)Cc2ccccc2)cc(O)c1O ZINC001193097710 1282314738 /nfs/dbraw/zinc/31/47/38/1282314738.db2.gz LPEVREHLWXYXQR-UHFFFAOYSA-N 0 3 344.411 2.310 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)cccc21 ZINC001218326416 1297634062 /nfs/dbraw/zinc/63/40/62/1297634062.db2.gz PBEIIIMIMJOXID-OWRWGESLSA-N 0 3 335.359 2.154 20 10 EECDHN O=C(Nc1nnco1)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441931 1303031767 /nfs/dbraw/zinc/03/17/67/1303031767.db2.gz RSZKWQYQEDLHOF-KBXCAEBGSA-N 0 3 342.399 2.406 20 10 EECDHN O=C(Nc1nnco1)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441931 1303031771 /nfs/dbraw/zinc/03/17/71/1303031771.db2.gz RSZKWQYQEDLHOF-KBXCAEBGSA-N 0 3 342.399 2.406 20 10 EECDHN Cc1cccc(CN2Cc3ccnn3C[C@H](C(=O)NC(C)C)C2)c1O ZINC001231591396 1303857737 /nfs/dbraw/zinc/85/77/37/1303857737.db2.gz BRILCCYYWWXKPU-MRXNPFEDSA-N 0 3 342.443 2.054 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001277569045 1303922259 /nfs/dbraw/zinc/92/22/59/1303922259.db2.gz SZHIFHCVBHSBIV-SOLBZPMBSA-N 0 3 332.444 2.016 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001277569045 1303922261 /nfs/dbraw/zinc/92/22/61/1303922261.db2.gz SZHIFHCVBHSBIV-SOLBZPMBSA-N 0 3 332.444 2.016 20 10 EECDHN Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC3COC3)CC2)c([O-])c1 ZINC001277569087 1303923441 /nfs/dbraw/zinc/92/34/41/1303923441.db2.gz VGHAGJIFAAGCTF-QGZVFWFLSA-N 0 3 344.455 2.065 20 10 EECDHN C[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccccc1[O-] ZINC000783505205 1304289413 /nfs/dbraw/zinc/28/94/13/1304289413.db2.gz GBBJJJBNHUUSDF-HXPMCKFVSA-N 0 3 339.395 2.298 20 10 EECDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H](O)CO ZINC001233197070 1304392569 /nfs/dbraw/zinc/39/25/69/1304392569.db2.gz VZJKXVYCLXXEPQ-LBPRGKRZSA-N 0 3 340.217 2.093 20 10 EECDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H](O)CO ZINC001233197070 1304392572 /nfs/dbraw/zinc/39/25/72/1304392572.db2.gz VZJKXVYCLXXEPQ-LBPRGKRZSA-N 0 3 340.217 2.093 20 10 EECDHN CN1CCN(c2ccc(CN3CCC[C@@]4(CCO4)C3)c(F)c2)CC1 ZINC001236939514 1305739028 /nfs/dbraw/zinc/73/90/28/1305739028.db2.gz RTDLXOLHLPXDCI-LJQANCHMSA-N 0 3 333.451 2.332 20 10 EECDHN CCOc1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001237042491 1305775919 /nfs/dbraw/zinc/77/59/19/1305775919.db2.gz IMDVNABECOZUKE-RDJZCZTQSA-N 0 3 330.428 2.091 20 10 EECDHN CCOc1ccc(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001237042491 1305775925 /nfs/dbraw/zinc/77/59/25/1305775925.db2.gz IMDVNABECOZUKE-RDJZCZTQSA-N 0 3 330.428 2.091 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC001237489923 1305956488 /nfs/dbraw/zinc/95/64/88/1305956488.db2.gz OIRJCSBWJGHGJN-UHFFFAOYSA-N 0 3 332.444 2.208 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3nccnc3C)C2)c(O)c(OC)c1 ZINC001237684084 1306046413 /nfs/dbraw/zinc/04/64/13/1306046413.db2.gz MKWHKJIDVWZMMD-AWEZNQCLSA-N 0 3 345.399 2.161 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@H](N)C3CCCCC3)CC2)cc1 ZINC001118270235 1306328576 /nfs/dbraw/zinc/32/85/76/1306328576.db2.gz ZGUYFCLHVNJPKY-GOSISDBHSA-N 0 3 331.460 2.251 20 10 EECDHN COC1CCN(c2ccc(CN(C)CCNC(=O)N(C)C)cc2)CC1 ZINC000828604098 1314467189 /nfs/dbraw/zinc/46/71/89/1314467189.db2.gz MBOOQRIFTIAVBE-UHFFFAOYSA-N 0 3 348.491 2.005 20 10 EECDHN COc1cc(O)c(CN2C[C@@H]3COC[C@H](C2)C3(F)F)c(OC)c1 ZINC001141029354 1315020977 /nfs/dbraw/zinc/02/09/77/1315020977.db2.gz QSMWPKPKOIVICE-PHIMTYICSA-N 0 3 329.343 2.123 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c([O-])c1 ZINC001249201409 1317021605 /nfs/dbraw/zinc/02/16/05/1317021605.db2.gz RXICRQWKRVOLTG-INIZCTEOSA-N 0 3 326.396 2.492 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c([O-])c1 ZINC001249201409 1317021609 /nfs/dbraw/zinc/02/16/09/1317021609.db2.gz RXICRQWKRVOLTG-INIZCTEOSA-N 0 3 326.396 2.492 20 10 EECDHN C[C@@](O)(C[N@@H+]1CCc2cccc([O-])c2C1)C(=O)OCc1ccccc1 ZINC001253635816 1317900306 /nfs/dbraw/zinc/90/03/06/1317900306.db2.gz BKWXLGZDLGGNOG-HXUWFJFHSA-N 0 3 341.407 2.245 20 10 EECDHN C[C@@](O)(C[N@H+]1CCc2cccc([O-])c2C1)C(=O)OCc1ccccc1 ZINC001253635816 1317900309 /nfs/dbraw/zinc/90/03/09/1317900309.db2.gz BKWXLGZDLGGNOG-HXUWFJFHSA-N 0 3 341.407 2.245 20 10 EECDHN COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c([O-])c1 ZINC001203623665 1321925800 /nfs/dbraw/zinc/92/58/00/1321925800.db2.gz WCHURCLEUXBUCR-GASCZTMLSA-N 0 3 342.395 2.198 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c([O-])c1 ZINC001203623665 1321925804 /nfs/dbraw/zinc/92/58/04/1321925804.db2.gz WCHURCLEUXBUCR-GASCZTMLSA-N 0 3 342.395 2.198 20 10 EECDHN CN(C)c1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1 ZINC001203930495 1321993118 /nfs/dbraw/zinc/99/31/18/1321993118.db2.gz VQUPZSLMEJVISK-OAQYLSRUSA-N 0 3 339.483 2.431 20 10 EECDHN O=C1N(c2cccnc2)CC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204272710 1322098599 /nfs/dbraw/zinc/09/85/99/1322098599.db2.gz HPQCOQINWYJCQQ-IBGZPJMESA-N 0 3 339.395 2.122 20 10 EECDHN O=C1N(c2cccnc2)CC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204272710 1322098608 /nfs/dbraw/zinc/09/86/08/1322098608.db2.gz HPQCOQINWYJCQQ-IBGZPJMESA-N 0 3 339.395 2.122 20 10 EECDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001263096090 1322432630 /nfs/dbraw/zinc/43/26/30/1322432630.db2.gz GYIXLJQMHZUGSZ-HNAYVOBHSA-N 0 3 347.503 2.275 20 10 EECDHN COc1ccc(N(C)CCN(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307897293 1331554537 /nfs/dbraw/zinc/55/45/37/1331554537.db2.gz MLIYRDYDTUKQPQ-CALCHBBNSA-N 0 3 335.492 2.172 20 10 EECDHN C[C@@H]1[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320424902 1332880517 /nfs/dbraw/zinc/88/05/17/1332880517.db2.gz UENVBYPQEFWOJQ-HZPDHXFCSA-N 0 3 334.483 2.102 20 10 EECDHN CC1=NO[C@@](C)(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001337399627 1336695662 /nfs/dbraw/zinc/69/56/62/1336695662.db2.gz KEHJGQHLRGXUIK-SJLPKXTDSA-N 0 3 332.448 2.026 20 10 EECDHN Oc1cc2c(cc1O)CN(C(=S)NCCN1CCCCC1)CCC2 ZINC001200429405 1338329290 /nfs/dbraw/zinc/32/92/90/1338329290.db2.gz YOSXYSWRWDKZFP-UHFFFAOYSA-N 0 3 349.500 2.206 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1CC)cc2=O ZINC000051124667 759762404 /nfs/dbraw/zinc/76/24/04/759762404.db2.gz BAAPEJGCTHGOMV-CYBMUJFWSA-N 0 3 332.404 2.376 20 10 EECDHN O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000809706402 783320851 /nfs/dbraw/zinc/32/08/51/783320851.db2.gz XIVBIDVNUXJYQC-UHFFFAOYSA-N 0 3 328.343 2.307 20 10 EECDHN COc1cc(NC(=O)CNCc2cccc(C)c2O)cc(OC)c1 ZINC000822490618 787205944 /nfs/dbraw/zinc/20/59/44/787205944.db2.gz ZPKJMXRIEKKLDM-UHFFFAOYSA-N 0 3 330.384 2.446 20 10 EECDHN CO[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1O ZINC000825016734 788397371 /nfs/dbraw/zinc/39/73/71/788397371.db2.gz HCVJEJOTFRNMNO-RTBURBONSA-N 0 3 329.396 2.163 20 10 EECDHN CO[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1O ZINC000825016734 788397378 /nfs/dbraw/zinc/39/73/78/788397378.db2.gz HCVJEJOTFRNMNO-RTBURBONSA-N 0 3 329.396 2.163 20 10 EECDHN CO[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1O ZINC000825016734 788397388 /nfs/dbraw/zinc/39/73/88/788397388.db2.gz HCVJEJOTFRNMNO-RTBURBONSA-N 0 3 329.396 2.163 20 10 EECDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000193144742 237371816 /nfs/dbraw/zinc/37/18/16/237371816.db2.gz LVXAAPAUQYOGRR-CYBMUJFWSA-N 0 3 341.411 2.448 20 10 EECDHN CCN(Cc1cc(Br)ccc1O)C(=O)C1(N)CCC1 ZINC000296751842 465232884 /nfs/dbraw/zinc/23/28/84/465232884.db2.gz KMGVNPADLCIYJC-UHFFFAOYSA-N 0 3 327.222 2.385 20 10 EECDHN CN(C)[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000089314049 462666104 /nfs/dbraw/zinc/66/61/04/462666104.db2.gz NIZHDLGDRGPONQ-GFCCVEGCSA-N 0 3 328.507 2.361 20 10 EECDHN N[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000119494320 462905989 /nfs/dbraw/zinc/90/59/89/462905989.db2.gz UTHGQHSGWNYODY-IBGZPJMESA-N 0 3 339.439 2.230 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)NCc2cnnn2C)c1O ZINC000287233389 463842790 /nfs/dbraw/zinc/84/27/90/463842790.db2.gz GSWYOIRPUWAWBN-SECBINFHSA-N 0 3 325.210 2.442 20 10 EECDHN CCCOc1ccc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c([O-])c1 ZINC000185866866 463894112 /nfs/dbraw/zinc/89/41/12/463894112.db2.gz HQFQPNMZBPUVBZ-INIZCTEOSA-N 0 3 335.492 2.297 20 10 EECDHN COC[C@H](C)OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000278479723 463966111 /nfs/dbraw/zinc/96/61/11/463966111.db2.gz AKKPQBRFDBYCIT-KXBFYZLASA-N 0 3 336.476 2.129 20 10 EECDHN COc1ccc(O)c(CN[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291345775 464152337 /nfs/dbraw/zinc/15/23/37/464152337.db2.gz WMNGOTRZBGQZKA-ZDUSSCGKSA-N 0 3 330.359 2.435 20 10 EECDHN COc1ccc(O)c(CN2CCC([C@@H](O)c3nccn3C)CC2)c1 ZINC000180280158 464279617 /nfs/dbraw/zinc/27/96/17/464279617.db2.gz UFVSHOATGZTLKT-QGZVFWFLSA-N 0 3 331.416 2.080 20 10 EECDHN COc1ccc([O-])c(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1 ZINC000180280158 464279624 /nfs/dbraw/zinc/27/96/24/464279624.db2.gz UFVSHOATGZTLKT-QGZVFWFLSA-N 0 3 331.416 2.080 20 10 EECDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)[C@@H]2C1 ZINC000272570985 464664420 /nfs/dbraw/zinc/66/44/20/464664420.db2.gz LDPWSVMSSWMBLX-PKOBYXMFSA-N 0 3 340.471 2.298 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c([O-])c1 ZINC000285709948 464667246 /nfs/dbraw/zinc/66/72/46/464667246.db2.gz PKKVLUIGOIVFCU-UONOGXRCSA-N 0 3 338.473 2.308 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+](CCO)CCCO ZINC000273478764 464718711 /nfs/dbraw/zinc/71/87/11/464718711.db2.gz KVAAULFRCLYGGT-UHFFFAOYSA-N 0 3 331.412 2.148 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+](CCO)CCCO ZINC000273478764 464718715 /nfs/dbraw/zinc/71/87/15/464718715.db2.gz KVAAULFRCLYGGT-UHFFFAOYSA-N 0 3 331.412 2.148 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000275381723 464773185 /nfs/dbraw/zinc/77/31/85/464773185.db2.gz XSAODOSAUODWOS-GXSJLCMTSA-N 0 3 327.222 2.344 20 10 EECDHN Cn1nncc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000267540472 464936048 /nfs/dbraw/zinc/93/60/48/464936048.db2.gz XZZCLGOKFYFRCJ-LBPRGKRZSA-N 0 3 337.374 2.175 20 10 EECDHN COc1cc(Cl)cc(CN[C@@H](C)C(=O)NCc2ccco2)c1O ZINC000184711398 465021092 /nfs/dbraw/zinc/02/10/92/465021092.db2.gz PPZUIIWIODDQSV-JTQLQIEISA-N 0 3 338.791 2.442 20 10 EECDHN Oc1cc2c(cc1CN1CCC(OC[C@H]3CCCO3)CC1)OCO2 ZINC000364303840 466693147 /nfs/dbraw/zinc/69/31/47/466693147.db2.gz OZICILAMDDZACO-OAHLLOKOSA-N 0 3 335.400 2.281 20 10 EECDHN COc1ccc(N2CCCN(C[C@@H]3CC4(CC4)C(=O)O3)CC2)cc1 ZINC000365097592 466730669 /nfs/dbraw/zinc/73/06/69/466730669.db2.gz GDSBRTIEDSBGPL-KRWDZBQOSA-N 0 3 330.428 2.303 20 10 EECDHN CC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000771868300 577235304 /nfs/dbraw/zinc/23/53/04/577235304.db2.gz JWPJFWHPNXLYLC-JKSUJKDBSA-N 0 3 345.409 2.230 20 10 EECDHN Cc1nn(C)c(C)c1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775830103 577446785 /nfs/dbraw/zinc/44/67/85/577446785.db2.gz CTTCWDNUUBCBRC-GFCCVEGCSA-N 0 3 329.448 2.392 20 10 EECDHN C[C@@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccc(N(C)C)cc1 ZINC000775833796 577446852 /nfs/dbraw/zinc/44/68/52/577446852.db2.gz MPUOPQBFZKTFAH-CYBMUJFWSA-N 0 3 340.427 2.141 20 10 EECDHN COC(=O)C[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769481467 577578964 /nfs/dbraw/zinc/57/89/64/577578964.db2.gz AJHYMUVDMMHNFI-OAHLLOKOSA-N 0 3 336.407 2.190 20 10 EECDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769567795 577580661 /nfs/dbraw/zinc/58/06/61/577580661.db2.gz CBRASABEFOZSGY-CQSZACIVSA-N 0 3 348.447 2.399 20 10 EECDHN COCC[N@H+](CCC(=O)OC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761198524 577678937 /nfs/dbraw/zinc/67/89/37/577678937.db2.gz JXJIFHWVXZNTIW-UHFFFAOYSA-N 0 3 331.796 2.066 20 10 EECDHN COCC[N@@H+](CCC(=O)OC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761198524 577678938 /nfs/dbraw/zinc/67/89/38/577678938.db2.gz JXJIFHWVXZNTIW-UHFFFAOYSA-N 0 3 331.796 2.066 20 10 EECDHN COC(=O)c1cc(CN(C)c2ccc(OCCN(C)C)cc2)c[nH]1 ZINC000761222612 577679551 /nfs/dbraw/zinc/67/95/51/577679551.db2.gz KNROYIMPLGJRML-UHFFFAOYSA-N 0 3 331.416 2.378 20 10 EECDHN C[C@H]1C[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756389182 577843191 /nfs/dbraw/zinc/84/31/91/577843191.db2.gz AZZHHKGPUTVTQT-GXFFZTMASA-N 0 3 342.436 2.093 20 10 EECDHN CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756413165 577843682 /nfs/dbraw/zinc/84/36/82/577843682.db2.gz YAWOGTXNVBVFFZ-CHWSQXEVSA-N 0 3 327.419 2.347 20 10 EECDHN CCN(CC(=O)NC1CCN(CC)CC1)c1ccc(OC)c(OC)c1 ZINC000756812464 577850554 /nfs/dbraw/zinc/85/05/54/577850554.db2.gz KDCQSNFHFYVIBG-UHFFFAOYSA-N 0 3 349.475 2.131 20 10 EECDHN Cc1cc(O)c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)cc1C ZINC000735484502 578156939 /nfs/dbraw/zinc/15/69/39/578156939.db2.gz DUWYQIDYDSTSKC-UHFFFAOYSA-N 0 3 339.439 2.430 20 10 EECDHN CC(C)N1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000177439284 675911930 /nfs/dbraw/zinc/91/19/30/675911930.db2.gz PCBFPHRXDPJPEH-CRAIPNDOSA-N 0 3 331.460 2.183 20 10 EECDHN COc1cccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246178 676239730 /nfs/dbraw/zinc/23/97/30/676239730.db2.gz MXXZSLIDNZXOOW-MRXNPFEDSA-N 0 3 342.443 2.189 20 10 EECDHN C[C@@H]1C[C@H](C)[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891248912 676244841 /nfs/dbraw/zinc/24/48/41/676244841.db2.gz OOSBYFGQLOKKOW-DACLVMHWSA-N 0 3 333.476 2.285 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCCCO2)N(C)C)cc1 ZINC000892323351 678801947 /nfs/dbraw/zinc/80/19/47/678801947.db2.gz ZZMUUHXPZWLFIU-ZWKOTPCHSA-N 0 3 348.491 2.224 20 10 EECDHN CN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894769370 683076141 /nfs/dbraw/zinc/07/61/41/683076141.db2.gz FNAPBUPWXHTTGX-MRXNPFEDSA-N 0 3 339.430 2.271 20 10 EECDHN CN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894769370 683076146 /nfs/dbraw/zinc/07/61/46/683076146.db2.gz FNAPBUPWXHTTGX-MRXNPFEDSA-N 0 3 339.430 2.271 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000895004382 683459842 /nfs/dbraw/zinc/45/98/42/683459842.db2.gz PTWMPUBXUNEDGG-LJQANCHMSA-N 0 3 326.396 2.030 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000895004382 683459844 /nfs/dbraw/zinc/45/98/44/683459844.db2.gz PTWMPUBXUNEDGG-LJQANCHMSA-N 0 3 326.396 2.030 20 10 EECDHN COc1ccc(CN(CCO)Cc2cc3c(cc2O)OCO3)cc1 ZINC000895710630 684693465 /nfs/dbraw/zinc/69/34/65/684693465.db2.gz JSVSDURZZJMPMN-UHFFFAOYSA-N 0 3 331.368 2.124 20 10 EECDHN CC[C@H]1COCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101357 693606260 /nfs/dbraw/zinc/60/62/60/693606260.db2.gz JPDAUYIXWGPOMF-WMZOPIPTSA-N 0 3 348.491 2.176 20 10 EECDHN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185007360 1192520311 /nfs/dbraw/zinc/52/03/11/1192520311.db2.gz XKWNBFVNXBUKLV-CYBMUJFWSA-N 0 3 337.439 2.173 20 10 EECDHN CN(Cc1cccs1)c1ccc(CN2CCN(C)C[C@H]2CO)cc1 ZINC000877644896 1200003967 /nfs/dbraw/zinc/00/39/67/1200003967.db2.gz VBYKYNBTSZJVAY-SFHVURJKSA-N 0 3 345.512 2.493 20 10 EECDHN COc1ccc(N2CCN(CCCc3cncn3C)CC2)c(OC)c1 ZINC000879461444 1201079607 /nfs/dbraw/zinc/07/96/07/1201079607.db2.gz CGEYJOQWMSEPJG-UHFFFAOYSA-N 0 3 344.459 2.192 20 10 EECDHN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000879648309 1201193055 /nfs/dbraw/zinc/19/30/55/1201193055.db2.gz JJUYGUKNPUHPGK-KFWWJZLASA-N 0 3 348.443 2.233 20 10 EECDHN Cc1cc(CO)cc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000882880019 1201966666 /nfs/dbraw/zinc/96/66/66/1201966666.db2.gz YCNOIRPZVKHUQU-UHFFFAOYSA-N 0 3 326.444 2.246 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@]2(CCN(C3COC3)C2=O)CC1 ZINC001274303168 1204991025 /nfs/dbraw/zinc/99/10/25/1204991025.db2.gz FUYIVHLXMDKUFJ-FQEVSTJZSA-N 0 3 344.455 2.304 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@]2(CCN(C3COC3)C2=O)CC1 ZINC001274303168 1204991027 /nfs/dbraw/zinc/99/10/27/1204991027.db2.gz FUYIVHLXMDKUFJ-FQEVSTJZSA-N 0 3 344.455 2.304 20 10 EECDHN Cc1c(O)ccc(CN2CC3(C2)CCN(C(=O)NC(C)C)C3)c1O ZINC001276118329 1205782304 /nfs/dbraw/zinc/78/23/04/1205782304.db2.gz XIEILTJWERFLIW-UHFFFAOYSA-N 0 3 333.432 2.032 20 10 EECDHN COC[C@H](C)N1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863359 1235260781 /nfs/dbraw/zinc/26/07/81/1235260781.db2.gz XUGZMPWTNQDWHB-SJCJKPOMSA-N 0 3 347.419 2.078 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]([NH3+])CC(F)F ZINC000903892872 1242360370 /nfs/dbraw/zinc/36/03/70/1242360370.db2.gz OACQNUVMCPZJTM-NSHDSACASA-N 0 3 336.766 2.003 20 10 EECDHN CN1CC[C@]2(CC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)C1=O ZINC001273855290 1286912495 /nfs/dbraw/zinc/91/24/95/1286912495.db2.gz FOVAMOFFKGRZSG-OAHLLOKOSA-N 0 3 344.333 2.345 20 10 EECDHN CN1CC[C@]2(CC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)C1=O ZINC001273855290 1286912503 /nfs/dbraw/zinc/91/25/03/1286912503.db2.gz FOVAMOFFKGRZSG-OAHLLOKOSA-N 0 3 344.333 2.345 20 10 EECDHN [O-]c1cc(Cl)c(Cl)cc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222104586 1299356547 /nfs/dbraw/zinc/35/65/47/1299356547.db2.gz IDBGNAMSYAUDKL-UHFFFAOYSA-N 0 3 330.259 2.226 20 10 EECDHN CCOc1ccc(N2CCC[C@]3(CCN(CC(=O)N(C)C)C3)C2)cc1 ZINC001276926001 1300295564 /nfs/dbraw/zinc/29/55/64/1300295564.db2.gz LJTHWIVWAFLHAW-HXUWFJFHSA-N 0 3 345.487 2.466 20 10 EECDHN O=C(N1CCCC12CC2)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277190699 1301739203 /nfs/dbraw/zinc/73/92/03/1301739203.db2.gz POIITEURCCSJDZ-AUUYWEPGSA-N 0 3 328.412 2.075 20 10 EECDHN O=C(N1CCCC12CC2)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277190699 1301739209 /nfs/dbraw/zinc/73/92/09/1301739209.db2.gz POIITEURCCSJDZ-AUUYWEPGSA-N 0 3 328.412 2.075 20 10 EECDHN Cc1cc(C)c(CN2CCCn3cnc(COCCO)c3C2)c(O)c1 ZINC001231844934 1303928882 /nfs/dbraw/zinc/92/88/82/1303928882.db2.gz SKZYGLTUNWIBTO-UHFFFAOYSA-N 0 3 345.443 2.120 20 10 EECDHN CC[NH+](CC)CCN1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232258471 1304055627 /nfs/dbraw/zinc/05/56/27/1304055627.db2.gz IMEUFRZFRAWLAN-UHFFFAOYSA-N 0 3 341.883 2.211 20 10 EECDHN CCOC[C@H]1Cn2nccc2CN(Cc2ccc(N(C)C)cc2O)C1 ZINC001232837480 1304265569 /nfs/dbraw/zinc/26/55/69/1304265569.db2.gz IPLVYBDGLQNENH-OAHLLOKOSA-N 0 3 344.459 2.323 20 10 EECDHN C[N@@H+]1CCCN(Cc2ccc(I)cc2[O-])CC1 ZINC001232974879 1304313144 /nfs/dbraw/zinc/31/31/44/1304313144.db2.gz STOTUANBCORLST-UHFFFAOYSA-N 0 3 346.212 2.134 20 10 EECDHN C[N@H+]1CCCN(Cc2ccc(I)cc2[O-])CC1 ZINC001232974879 1304313149 /nfs/dbraw/zinc/31/31/49/1304313149.db2.gz STOTUANBCORLST-UHFFFAOYSA-N 0 3 346.212 2.134 20 10 EECDHN COC[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC001233288887 1304417814 /nfs/dbraw/zinc/41/78/14/1304417814.db2.gz BGFHBKPWSIIAFW-MLGOLLRUSA-N 0 3 327.808 2.149 20 10 EECDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC001233288887 1304417818 /nfs/dbraw/zinc/41/78/18/1304417818.db2.gz BGFHBKPWSIIAFW-MLGOLLRUSA-N 0 3 327.808 2.149 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)CC(C)(C)C1)cc2=O ZINC000784349940 1304469015 /nfs/dbraw/zinc/46/90/15/1304469015.db2.gz HRNLIHNKSJGEIK-GFCCVEGCSA-N 0 3 346.431 2.480 20 10 EECDHN O=C(C1CCN(Cc2cc(O)c(O)cc2O)CC1)N1CCCCCC1 ZINC001233484971 1304476885 /nfs/dbraw/zinc/47/68/85/1304476885.db2.gz DNXUQAOQJCSLLA-UHFFFAOYSA-N 0 3 348.443 2.418 20 10 EECDHN CC(C)C(=O)N1CCC[C@]12CCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233485508 1304478620 /nfs/dbraw/zinc/47/86/20/1304478620.db2.gz YZMNGNXGMFMZCW-GOSISDBHSA-N 0 3 334.416 2.026 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(Br)c1 ZINC001235176912 1305138543 /nfs/dbraw/zinc/13/85/43/1305138543.db2.gz YPWDLIBSHHRRDN-LKFCYVNXSA-N 0 3 327.222 2.086 20 10 EECDHN C[C@@H]1CC[C@@H]([NH3+])CN1Cc1ccc(I)cc1[O-] ZINC001235901559 1305440670 /nfs/dbraw/zinc/44/06/70/1305440670.db2.gz DLLABVALCCVXJK-BXKDBHETSA-N 0 3 346.212 2.308 20 10 EECDHN CC(C)(C)c1cc([O-])c(CN2CC(N3CC[NH2+]CC3)C2)cc1Cl ZINC001236160526 1305517713 /nfs/dbraw/zinc/51/77/13/1305517713.db2.gz HNZWGVNLLZKAGU-UHFFFAOYSA-N 0 3 337.895 2.433 20 10 EECDHN CN(C)C(=O)C1CN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236789445 1305677658 /nfs/dbraw/zinc/67/76/58/1305677658.db2.gz PQJNRUCFIARRIS-UHFFFAOYSA-N 0 3 340.423 2.491 20 10 EECDHN CCO[C@@H]1C[C@H]2CN(Cc3c([O-])cc(OC)cc3Cl)CC[N@@H+]2C1 ZINC001236798597 1305679259 /nfs/dbraw/zinc/67/92/59/1305679259.db2.gz VTDFSDORVCPQEJ-GXTWGEPZSA-N 0 3 340.851 2.349 20 10 EECDHN CCO[C@@H]1C[C@H]2CN(Cc3c([O-])cc(OC)cc3Cl)CC[N@H+]2C1 ZINC001236798597 1305679264 /nfs/dbraw/zinc/67/92/64/1305679264.db2.gz VTDFSDORVCPQEJ-GXTWGEPZSA-N 0 3 340.851 2.349 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001236807982 1305682713 /nfs/dbraw/zinc/68/27/13/1305682713.db2.gz JBWWAAFNHLZAPB-IBGZPJMESA-N 0 3 340.427 2.354 20 10 EECDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001236807982 1305682716 /nfs/dbraw/zinc/68/27/16/1305682716.db2.gz JBWWAAFNHLZAPB-IBGZPJMESA-N 0 3 340.427 2.354 20 10 EECDHN CC(=O)C1CCN(Cc2ccc(N3CCN(C)CC3)cc2F)CC1 ZINC001236933980 1305735523 /nfs/dbraw/zinc/73/55/23/1305735523.db2.gz BIWKUXINTQKARR-UHFFFAOYSA-N 0 3 333.451 2.379 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001237486180 1305954015 /nfs/dbraw/zinc/95/40/15/1305954015.db2.gz PASRGJUQXKSTBO-SZVBFZGTSA-N 0 3 344.455 2.206 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001237486180 1305954020 /nfs/dbraw/zinc/95/40/20/1305954020.db2.gz PASRGJUQXKSTBO-SZVBFZGTSA-N 0 3 344.455 2.206 20 10 EECDHN CNC(=O)N[C@H]1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141079030 1315038795 /nfs/dbraw/zinc/03/87/95/1315038795.db2.gz QEDMMCZYKZLECD-SFHVURJKSA-N 0 3 342.487 2.279 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CCS(=O)(=O)C2CC2)c1[O-] ZINC000840966728 1315448454 /nfs/dbraw/zinc/44/84/54/1315448454.db2.gz ZAYJNNJPLNJIPA-UHFFFAOYSA-N 0 3 348.262 2.130 20 10 EECDHN Cc1cc(Br)cc(CNCCS(=O)(=O)C2CC2)c1O ZINC000840966728 1315448456 /nfs/dbraw/zinc/44/84/56/1315448456.db2.gz ZAYJNNJPLNJIPA-UHFFFAOYSA-N 0 3 348.262 2.130 20 10 EECDHN CN(CCNC(=O)NCCc1ccc(N)cc1)Cc1ccccc1 ZINC000841735395 1315605795 /nfs/dbraw/zinc/60/57/95/1315605795.db2.gz WKEZVSPASXAORR-UHFFFAOYSA-N 0 3 326.444 2.243 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1 ZINC001249172108 1317017645 /nfs/dbraw/zinc/01/76/45/1317017645.db2.gz IYJPVKZHVJHYAR-UHFFFAOYSA-N 0 3 340.423 2.430 20 10 EECDHN CN(C)c1ccc(CNC[C@@](C)(O)C(=O)OCc2ccccc2)cc1 ZINC001253658813 1317907024 /nfs/dbraw/zinc/90/70/24/1317907024.db2.gz RFNFESPZVFHQPM-HXUWFJFHSA-N 0 3 342.439 2.337 20 10 EECDHN O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552138 1321910624 /nfs/dbraw/zinc/91/06/24/1321910624.db2.gz BWLUGYHXDRJXRF-KRWDZBQOSA-N 0 3 337.423 2.426 20 10 EECDHN Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4ccccc4[O-])C3)C2=O)cn1 ZINC001203555468 1321911307 /nfs/dbraw/zinc/91/13/07/1321911307.db2.gz ALFWXVHDGBJUBJ-IBGZPJMESA-N 0 3 340.427 2.145 20 10 EECDHN Cn1cc(N2CC[C@]3(CCC[N@@H+](Cc4ccccc4[O-])C3)C2=O)cn1 ZINC001203555468 1321911308 /nfs/dbraw/zinc/91/13/08/1321911308.db2.gz ALFWXVHDGBJUBJ-IBGZPJMESA-N 0 3 340.427 2.145 20 10 EECDHN COc1cccc(CN2CC[C@@H](Oc3ncccc3OC)C2)c1O ZINC001203601916 1321920856 /nfs/dbraw/zinc/92/08/56/1321920856.db2.gz QQRLNNQJDNAUGN-CQSZACIVSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc(C)nc(O[C@@H]2CCN(Cc3cccc(OC)c3O)C2)n1 ZINC001203601883 1321921128 /nfs/dbraw/zinc/92/11/28/1321921128.db2.gz PMSIMENXXCSIIS-CQSZACIVSA-N 0 3 345.399 2.161 20 10 EECDHN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC001261742217 1322170965 /nfs/dbraw/zinc/17/09/65/1322170965.db2.gz OHCMTBXGECWEKF-CQSZACIVSA-N 0 3 349.862 2.400 20 10 EECDHN Cc1ccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1 ZINC001308217872 1331574289 /nfs/dbraw/zinc/57/42/89/1331574289.db2.gz NOERUJGEXJNZJC-GOSISDBHSA-N 0 3 338.455 2.382 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC001320523116 1332902447 /nfs/dbraw/zinc/90/24/47/1332902447.db2.gz VWVLXBHUBSRMCY-YOEHRIQHSA-N 0 3 331.416 2.222 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC001320523116 1332902449 /nfs/dbraw/zinc/90/24/49/1332902449.db2.gz VWVLXBHUBSRMCY-YOEHRIQHSA-N 0 3 331.416 2.222 20 10 EECDHN C[C@@H]1[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCN1C ZINC001341781307 1337298678 /nfs/dbraw/zinc/29/86/78/1337298678.db2.gz PXPOVQWPLWQKBC-RISCZKNCSA-N 0 3 330.457 2.139 20 10 EECDHN CCOCCN1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001273958291 1369392573 /nfs/dbraw/zinc/39/25/73/1369392573.db2.gz BEMGQBAIJSEGBW-HXUWFJFHSA-N 0 3 345.487 2.356 20 10 EECDHN CCN(CC)c1ccc(CN2CC3(C2)CCN(C(C)=O)C3)c(O)c1 ZINC001140854927 1372697741 /nfs/dbraw/zinc/69/77/41/1372697741.db2.gz GWHHXJYPPGQIRY-UHFFFAOYSA-N 0 3 331.460 2.293 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCc2cc(=O)n3ccccc3n2)c1 ZINC000182374060 778855612 /nfs/dbraw/zinc/85/56/12/778855612.db2.gz POYGKWRYLFLMTL-GFCCVEGCSA-N 0 3 325.368 2.260 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)OC[C@@H]2CCCO2)N(C)C)cc1 ZINC000908460226 785428885 /nfs/dbraw/zinc/42/88/85/785428885.db2.gz PULZEZYIEQAHMJ-DLBZAZTESA-N 0 3 335.448 2.261 20 10 EECDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)c(C)n1-c1ccccc1C ZINC000808173601 812517183 /nfs/dbraw/zinc/51/71/83/812517183.db2.gz CPJHJJULDBSMMJ-INIZCTEOSA-N 0 3 329.444 2.055 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000093018059 237043558 /nfs/dbraw/zinc/04/35/58/237043558.db2.gz YLPGHFALJQDBKP-INIZCTEOSA-N 0 3 334.460 2.335 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000093018059 237043567 /nfs/dbraw/zinc/04/35/67/237043567.db2.gz YLPGHFALJQDBKP-INIZCTEOSA-N 0 3 334.460 2.335 20 10 EECDHN COc1cc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H](N(C)C)C2)cc1OC ZINC000271112276 464281538 /nfs/dbraw/zinc/28/15/38/464281538.db2.gz QAERNCXEYPDWJP-WFASDCNBSA-N 0 3 341.433 2.094 20 10 EECDHN CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000153915770 462708196 /nfs/dbraw/zinc/70/81/96/462708196.db2.gz BAMMTTSHIODJDS-QPGLYAHGSA-N 0 3 343.471 2.089 20 10 EECDHN CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000129719151 462720830 /nfs/dbraw/zinc/72/08/30/462720830.db2.gz WRCUJWJDXABYRS-SFHVURJKSA-N 0 3 333.476 2.068 20 10 EECDHN COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])ccc1OCC(N)=O ZINC000185204664 463777274 /nfs/dbraw/zinc/77/72/74/463777274.db2.gz UYKIMZUQMHUYQB-ZDUSSCGKSA-N 0 3 344.411 2.424 20 10 EECDHN Oc1cc2c(cc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1)OCO2 ZINC000278420590 463964847 /nfs/dbraw/zinc/96/48/47/463964847.db2.gz RMQHVYJYTXBSAN-OTYXRUKQSA-N 0 3 333.306 2.256 20 10 EECDHN CCOCc1cc(CNC[C@@H]2CCCS(=O)(=O)C2)ccc1OC ZINC000290144984 464109741 /nfs/dbraw/zinc/10/97/41/464109741.db2.gz OKAIJHFZPJBTQJ-HNNXBMFYSA-N 0 3 341.473 2.146 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCOC2)c1[O-] ZINC000187399704 464124821 /nfs/dbraw/zinc/12/48/21/464124821.db2.gz UCKPBFGCRDGJML-IINYFYTJSA-N 0 3 330.222 2.265 20 10 EECDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000222072648 464126771 /nfs/dbraw/zinc/12/67/71/464126771.db2.gz FASHVKNWZWXECV-ZIAGYGMSSA-N 0 3 341.249 2.108 20 10 EECDHN Cc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1 ZINC000181119769 464447394 /nfs/dbraw/zinc/44/73/94/464447394.db2.gz YBOJUUAGKBAHGI-UHFFFAOYSA-N 0 3 340.489 2.240 20 10 EECDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000295077145 464698713 /nfs/dbraw/zinc/69/87/13/464698713.db2.gz PVEIQOJZUPQDGB-MRXNPFEDSA-N 0 3 327.808 2.366 20 10 EECDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000295077145 464698718 /nfs/dbraw/zinc/69/87/18/464698718.db2.gz PVEIQOJZUPQDGB-MRXNPFEDSA-N 0 3 327.808 2.366 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c([O-])c1C ZINC000273463222 464716994 /nfs/dbraw/zinc/71/69/94/464716994.db2.gz IMGDSXFYNGPBEG-UONOGXRCSA-N 0 3 326.462 2.084 20 10 EECDHN C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1O ZINC000183404712 464861326 /nfs/dbraw/zinc/86/13/26/464861326.db2.gz BCNMYZBFSDQPJP-ZDUSSCGKSA-N 0 3 334.441 2.493 20 10 EECDHN CCO[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@]12CCCO2 ZINC000360722248 465600316 /nfs/dbraw/zinc/60/03/16/465600316.db2.gz SNMJNSNDYXYQGE-VAMGGRTRSA-N 0 3 346.471 2.339 20 10 EECDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000370071212 466766868 /nfs/dbraw/zinc/76/68/68/466766868.db2.gz GIHFSHKDQWPRCK-ZIAGYGMSSA-N 0 3 325.412 2.421 20 10 EECDHN NC(=O)c1ccccc1N1CC[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000370830643 467018614 /nfs/dbraw/zinc/01/86/14/467018614.db2.gz OLFQHYPEJRGFGM-INIZCTEOSA-N 0 3 337.423 2.089 20 10 EECDHN Cc1ccc([C@@H](O)CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000771841535 577233628 /nfs/dbraw/zinc/23/36/28/577233628.db2.gz JAHCEGDCDUVKLU-SFHVURJKSA-N 0 3 329.444 2.163 20 10 EECDHN CC(C)[C@@H](C)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256990 577433867 /nfs/dbraw/zinc/43/38/67/577433867.db2.gz CFNUUCUBCPKPBA-HZPDHXFCSA-N 0 3 333.476 2.335 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000776213577 577454739 /nfs/dbraw/zinc/45/47/39/577454739.db2.gz VAIMAXUECMGNKX-LBPRGKRZSA-N 0 3 348.262 2.130 20 10 EECDHN C[N@H+](CCOCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464802 577556410 /nfs/dbraw/zinc/55/64/10/577556410.db2.gz VPUZWBVGGQSPED-SFHVURJKSA-N 0 3 329.396 2.467 20 10 EECDHN C[N@@H+](CCOCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464802 577556411 /nfs/dbraw/zinc/55/64/11/577556411.db2.gz VPUZWBVGGQSPED-SFHVURJKSA-N 0 3 329.396 2.467 20 10 EECDHN Cc1cc(C(=O)NC[C@]2(O)CCN(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000762716266 577706389 /nfs/dbraw/zinc/70/63/89/577706389.db2.gz KKNRCWKEOIMLCF-LJQANCHMSA-N 0 3 345.418 2.030 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H](C4CC4)C3)CC2)cc1 ZINC000764487690 577737369 /nfs/dbraw/zinc/73/73/69/577737369.db2.gz QVRARXWHJVVJCU-KRWDZBQOSA-N 0 3 343.471 2.076 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC[N@H+](C)C1 ZINC000743807472 577890121 /nfs/dbraw/zinc/89/01/21/577890121.db2.gz BBMGBUJCDWVOHW-NSHDSACASA-N 0 3 341.249 2.455 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000743807472 577890122 /nfs/dbraw/zinc/89/01/22/577890122.db2.gz BBMGBUJCDWVOHW-NSHDSACASA-N 0 3 341.249 2.455 20 10 EECDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000745839173 577919467 /nfs/dbraw/zinc/91/94/67/577919467.db2.gz VHJZICFABISFMV-DOTOQJQBSA-N 0 3 328.460 2.345 20 10 EECDHN CCC(C)(C)[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245536 676238333 /nfs/dbraw/zinc/23/83/33/676238333.db2.gz GFNRBCZWYBAJDM-IAGOWNOFSA-N 0 3 335.492 2.269 20 10 EECDHN CCOC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891247233 676241374 /nfs/dbraw/zinc/24/13/74/676241374.db2.gz RVEWJNRZSSIWGV-KRWDZBQOSA-N 0 3 333.476 2.431 20 10 EECDHN C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248456 676242563 /nfs/dbraw/zinc/24/25/63/676242563.db2.gz MXTBRKRARYWWEA-KDOFPFPSSA-N 0 3 343.475 2.073 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CCC2(O)CCC2)N(C)C)cc1 ZINC000891249606 676244351 /nfs/dbraw/zinc/24/43/51/676244351.db2.gz ROSTYHWOOBITMP-QGZVFWFLSA-N 0 3 333.476 2.167 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccncc2F)N(C)C)cc1 ZINC000891252683 676248498 /nfs/dbraw/zinc/24/84/98/676248498.db2.gz MGSVDPZOBHSJEB-QGZVFWFLSA-N 0 3 330.407 2.319 20 10 EECDHN Cc1cc(=O)[nH]cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252685 676248500 /nfs/dbraw/zinc/24/85/00/676248500.db2.gz MGWNXVGURMMNKX-QGZVFWFLSA-N 0 3 342.443 2.194 20 10 EECDHN COc1ccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)c(O)c1OC ZINC000893172458 684030007 /nfs/dbraw/zinc/03/00/07/684030007.db2.gz QDQYRQOFGZUKIQ-OAHLLOKOSA-N 0 3 348.443 2.433 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1[O-] ZINC000895748905 684707575 /nfs/dbraw/zinc/70/75/75/684707575.db2.gz OLHHYPIAJNDJPH-ZIAGYGMSSA-N 0 3 344.249 2.483 20 10 EECDHN OC[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895846558 684747097 /nfs/dbraw/zinc/74/70/97/684747097.db2.gz QFWDBJIAHMYOPM-MRXNPFEDSA-N 0 3 344.377 2.270 20 10 EECDHN O=C1N(CC2CCOCC2)CC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618701 1190933407 /nfs/dbraw/zinc/93/34/07/1190933407.db2.gz NKMGHPNDCHAGCP-HXUWFJFHSA-N 0 3 344.455 2.243 20 10 EECDHN O=C1N(CC2CCOCC2)CC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618701 1190933410 /nfs/dbraw/zinc/93/34/10/1190933410.db2.gz NKMGHPNDCHAGCP-HXUWFJFHSA-N 0 3 344.455 2.243 20 10 EECDHN Cn1cc(C(C)(C)NCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877044904 1199853435 /nfs/dbraw/zinc/85/34/35/1199853435.db2.gz KRFHDAHWQSHWLJ-UHFFFAOYSA-N 0 3 328.460 2.406 20 10 EECDHN Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)[C@@H](O)CO2 ZINC000811791102 1200332591 /nfs/dbraw/zinc/33/25/91/1200332591.db2.gz GICLRUBUFDJLGE-BQFCYCMXSA-N 0 3 331.412 2.352 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)[C@@H](O)CO2 ZINC000811791102 1200332596 /nfs/dbraw/zinc/33/25/96/1200332596.db2.gz GICLRUBUFDJLGE-BQFCYCMXSA-N 0 3 331.412 2.352 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)[C@@H](O)CO2 ZINC000811791102 1200332604 /nfs/dbraw/zinc/33/26/04/1200332604.db2.gz GICLRUBUFDJLGE-BQFCYCMXSA-N 0 3 331.412 2.352 20 10 EECDHN COc1ccc(N2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)cc1 ZINC001274791981 1205169638 /nfs/dbraw/zinc/16/96/38/1205169638.db2.gz XMZKFSVKRDGHHC-HXUWFJFHSA-N 0 3 345.487 2.466 20 10 EECDHN COc1ccc(N2CCC[C@@]23CCN(CCN(C)C)C3=O)c(C)c1 ZINC001274874771 1205194802 /nfs/dbraw/zinc/19/48/02/1205194802.db2.gz KRVPAGNUNOQNRD-IBGZPJMESA-N 0 3 331.460 2.137 20 10 EECDHN CCCN(Cc1ccccc1O)C(=O)c1ccnn1CCN(C)C ZINC000901052954 1235165765 /nfs/dbraw/zinc/16/57/65/1235165765.db2.gz MZXHZSIWLIOLRL-UHFFFAOYSA-N 0 3 330.432 2.203 20 10 EECDHN COc1cc(CN[C@H]2CCCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850142210 1277062846 /nfs/dbraw/zinc/06/28/46/1277062846.db2.gz PWEMAZOCCSNONP-ZDUSSCGKSA-N 0 3 341.473 2.365 20 10 EECDHN CNC(=O)N[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC001234570011 1304973107 /nfs/dbraw/zinc/97/31/07/1304973107.db2.gz VXGWDBQABOYXPZ-AWEZNQCLSA-N 0 3 343.427 2.447 20 10 EECDHN CNC(=O)N[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC001234570011 1304973109 /nfs/dbraw/zinc/97/31/09/1304973109.db2.gz VXGWDBQABOYXPZ-AWEZNQCLSA-N 0 3 343.427 2.447 20 10 EECDHN CN(C)c1cc(F)c(CNCCN2CCOC(C)(C)C2)cc1F ZINC000858127840 1294015167 /nfs/dbraw/zinc/01/51/67/1294015167.db2.gz RLXPYPSGPJXKOV-UHFFFAOYSA-N 0 3 327.419 2.231 20 10 EECDHN COc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC001204341995 1322117447 /nfs/dbraw/zinc/11/74/47/1322117447.db2.gz NFWBIBJLBBEPKQ-BETUJISGSA-N 0 3 341.249 2.442 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@H]4C[NH2+][C@@H]3C4)cccc21 ZINC001218489996 1297680166 /nfs/dbraw/zinc/68/01/66/1297680166.db2.gz RJAKAAGZKLIHFG-OWRWGESLSA-N 0 3 335.359 2.297 20 10 EECDHN COc1cc(CN2CC3(C2)CC[N@H+](C)C3)c([O-])cc1Br ZINC001276790322 1297722570 /nfs/dbraw/zinc/72/25/70/1297722570.db2.gz QALLPTRNAGVTPI-UHFFFAOYSA-N 0 3 341.249 2.301 20 10 EECDHN COc1cc(CN2CC3(C2)CC[N@@H+](C)C3)c([O-])cc1Br ZINC001276790322 1297722574 /nfs/dbraw/zinc/72/25/74/1297722574.db2.gz QALLPTRNAGVTPI-UHFFFAOYSA-N 0 3 341.249 2.301 20 10 EECDHN CN[C@@H](COCc1ccccc1)C(=O)NCc1c(C)cc(C)cc1O ZINC001220825982 1298549473 /nfs/dbraw/zinc/54/94/73/1298549473.db2.gz WLZWHGGBJLPMEN-SFHVURJKSA-N 0 3 342.439 2.430 20 10 EECDHN [O-]c1c(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)cccc1C(F)(F)F ZINC001222684771 1299788647 /nfs/dbraw/zinc/78/86/47/1299788647.db2.gz KRTGOYZDXZQJJS-INIZCTEOSA-N 0 3 343.393 2.329 20 10 EECDHN COC[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000781426754 1303793312 /nfs/dbraw/zinc/79/33/12/1303793312.db2.gz MPFDJCSLGHEDRO-UKRRQHHQSA-N 0 3 342.867 2.489 20 10 EECDHN COc1cccc(O[C@@H]2CCN(Cc3cc(OC)c(O)cc3O)C2)n1 ZINC001231638718 1303874738 /nfs/dbraw/zinc/87/47/38/1303874738.db2.gz BBAVUUYYEBUSKL-CYBMUJFWSA-N 0 3 346.383 2.163 20 10 EECDHN COc1cc([O-])c(CN2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC001232264519 1304058318 /nfs/dbraw/zinc/05/83/18/1304058318.db2.gz JWFTVYRZEUUTCJ-UHFFFAOYSA-N 0 3 340.851 2.351 20 10 EECDHN O=C1NC2(CO1)CC[NH+](Cc1cccc(OC(F)(F)F)c1[O-])CC2 ZINC001233767906 1304584269 /nfs/dbraw/zinc/58/42/69/1304584269.db2.gz HZMDFMSPTDZKJE-UHFFFAOYSA-N 0 3 346.305 2.365 20 10 EECDHN COC(=O)CC[N@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236749970 1305657843 /nfs/dbraw/zinc/65/78/43/1305657843.db2.gz GODKLHVRZNCIPH-UHFFFAOYSA-N 0 3 332.194 2.158 20 10 EECDHN COC(=O)CC[N@@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236749970 1305657850 /nfs/dbraw/zinc/65/78/50/1305657850.db2.gz GODKLHVRZNCIPH-UHFFFAOYSA-N 0 3 332.194 2.158 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3ncncc3C)C2)cc1OC ZINC001236753087 1305659483 /nfs/dbraw/zinc/65/94/83/1305659483.db2.gz GZMOISWGEMDAIQ-AWEZNQCLSA-N 0 3 345.399 2.161 20 10 EECDHN CCN(CCn1cccn1)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236940381 1305739126 /nfs/dbraw/zinc/73/91/26/1305739126.db2.gz APFDZFROXCRHGH-UHFFFAOYSA-N 0 3 345.466 2.296 20 10 EECDHN CCOc1ccc(CN2CC3CC2(C(=O)N2CCCC2)C3)c(O)c1 ZINC001237040209 1305776006 /nfs/dbraw/zinc/77/60/06/1305776006.db2.gz FZJHGAFWZHAZKD-UHFFFAOYSA-N 0 3 330.428 2.378 20 10 EECDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1OCC(N)=O ZINC001119285329 1309040923 /nfs/dbraw/zinc/04/09/23/1309040923.db2.gz WGPIEPCJORDSAS-GFCCVEGCSA-N 0 3 330.384 2.116 20 10 EECDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(N(C)C)cc2C)C1(C)C ZINC000829764499 1314513826 /nfs/dbraw/zinc/51/38/26/1314513826.db2.gz NDBYYLGEEQFCQP-LPHOPBHVSA-N 0 3 333.476 2.210 20 10 EECDHN CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1C ZINC000832284824 1314669584 /nfs/dbraw/zinc/66/95/84/1314669584.db2.gz NASYOXMRCOXDHL-MRXNPFEDSA-N 0 3 342.443 2.330 20 10 EECDHN CCN1CCN(c2ccc(CN3CCn4ccnc4C3)cc2)CC1 ZINC001140302404 1314860069 /nfs/dbraw/zinc/86/00/69/1314860069.db2.gz RCRKTQZFRWPTKQ-UHFFFAOYSA-N 0 3 325.460 2.041 20 10 EECDHN COc1ccc(CNC(=O)NC[C@H]2NCCc3ccccc32)c(O)c1 ZINC000841992101 1315648807 /nfs/dbraw/zinc/64/88/07/1315648807.db2.gz SSKDLKCLEPTQMS-QGZVFWFLSA-N 0 3 341.411 2.087 20 10 EECDHN COc1cccc(OC[C@@H](O)C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001253958053 1317965610 /nfs/dbraw/zinc/96/56/10/1317965610.db2.gz KJEHFGPXUSTZKO-HNNXBMFYSA-N 0 3 329.396 2.199 20 10 EECDHN COc1cccc(OC[C@@H](O)C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001253958053 1317965616 /nfs/dbraw/zinc/96/56/16/1317965616.db2.gz KJEHFGPXUSTZKO-HNNXBMFYSA-N 0 3 329.396 2.199 20 10 EECDHN COc1ccc(O)c(CN2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1 ZINC001203670459 1321936824 /nfs/dbraw/zinc/93/68/24/1321936824.db2.gz RMEFJFAFSOILRZ-UGSOOPFHSA-N 0 3 334.416 2.500 20 10 EECDHN COCCCN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001317955362 1332450875 /nfs/dbraw/zinc/45/08/75/1332450875.db2.gz LXOMFTBFYLOVIH-OAHLLOKOSA-N 0 3 347.419 2.080 20 10 EECDHN C[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1CCO ZINC000852457718 1369274288 /nfs/dbraw/zinc/27/42/88/1369274288.db2.gz ZARDBYPMCQOYIT-LPHOPBHVSA-N 0 3 347.503 2.194 20 10 EECDHN Oc1cc2c(cc1CN1CCOC(C3CC3)(C3CC3)C1)[C@H](O)CO2 ZINC000853583038 1369355144 /nfs/dbraw/zinc/35/51/44/1369355144.db2.gz OAXXQLCQWKDVDS-QGZVFWFLSA-N 0 3 331.412 2.209 20 10 EECDHN COCC[C@@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000798940368 1371622179 /nfs/dbraw/zinc/62/21/79/1371622179.db2.gz GFVQESVCAGZHTK-KBPBESRZSA-N 0 3 342.867 2.225 20 10 EECDHN Cc1ccc(O)c(CN2Cc3ccnn3C[C@H](C(=O)NC(C)C)C2)c1 ZINC001140621146 1372621207 /nfs/dbraw/zinc/62/12/07/1372621207.db2.gz HYYOEWIYTOJYKX-MRXNPFEDSA-N 0 3 342.443 2.054 20 10 EECDHN Cc1ccc(C[N@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)c([O-])c1 ZINC001140951971 1372725732 /nfs/dbraw/zinc/72/57/32/1372725732.db2.gz AGWOGKFEISVJJQ-IBGZPJMESA-N 0 3 340.427 2.063 20 10 EECDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)c([O-])c1 ZINC001140951971 1372725736 /nfs/dbraw/zinc/72/57/36/1372725736.db2.gz AGWOGKFEISVJJQ-IBGZPJMESA-N 0 3 340.427 2.063 20 10 EECDHN CC(C)[C@@H](C(=O)NCCC1=CCN(c2cccc(F)n2)CC1)N(C)C ZINC001089840472 777591091 /nfs/dbraw/zinc/59/10/91/777591091.db2.gz RMCQQJAHEBYVRZ-SFHVURJKSA-N 0 3 348.466 2.450 20 10 EECDHN COc1ccc(C[N@H+](C)CCCNC(=O)C2CCC2)c([O-])c1OC ZINC000894038910 780451493 /nfs/dbraw/zinc/45/14/93/780451493.db2.gz OYSIGOTYFVFXMO-UHFFFAOYSA-N 0 3 336.432 2.148 20 10 EECDHN COc1ccc(C[N@@H+](C)CCCNC(=O)C2CCC2)c([O-])c1OC ZINC000894038910 780451501 /nfs/dbraw/zinc/45/15/01/780451501.db2.gz OYSIGOTYFVFXMO-UHFFFAOYSA-N 0 3 336.432 2.148 20 10 EECDHN Cc1noc([C@@H]2CCCN2Cc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000809720826 783336784 /nfs/dbraw/zinc/33/67/84/783336784.db2.gz HQNDOVXYJGITSM-SFHVURJKSA-N 0 3 341.459 2.467 20 10 EECDHN COc1ccccc1CN1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144509074 789909447 /nfs/dbraw/zinc/90/94/47/789909447.db2.gz KFBBZKHZKYCEPT-UHFFFAOYSA-N 0 3 344.411 2.130 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3CCF)C2)cc1 ZINC001036905855 796451110 /nfs/dbraw/zinc/45/11/10/796451110.db2.gz QFCSAQSHESAHPX-DZGCQCFKSA-N 0 3 347.394 2.355 20 10 EECDHN O=C1C[C@H]([NH2+]Cc2cccc(O)c2[O-])CCN1Cc1ccccc1 ZINC001172676366 797066611 /nfs/dbraw/zinc/06/66/11/797066611.db2.gz NVSYKIDNPROURV-MRXNPFEDSA-N 0 3 326.396 2.379 20 10 EECDHN CC(C)c1snnc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001212687173 797116783 /nfs/dbraw/zinc/11/67/83/797116783.db2.gz FTZDFMWYXXBKTR-UHFFFAOYSA-N 0 3 328.401 2.419 20 10 EECDHN FC(F)(F)[C@H](CNCc1ccc2c(c1)CCCO2)N1CCOCC1 ZINC000922124466 799035080 /nfs/dbraw/zinc/03/50/80/799035080.db2.gz SMIINYXTXZCPEM-INIZCTEOSA-N 0 3 344.377 2.364 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)c1[O-] ZINC000808705518 812814295 /nfs/dbraw/zinc/81/42/95/812814295.db2.gz JEPAQMXWLPZVJP-LBPRGKRZSA-N 0 3 346.880 2.430 20 10 EECDHN Cc1cc(O)c(CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1C ZINC000093014347 237042920 /nfs/dbraw/zinc/04/29/20/237042920.db2.gz SFYNHCDQCHKKBL-QGZVFWFLSA-N 0 3 332.444 2.222 20 10 EECDHN CCCOc1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)c([O-])c1 ZINC000119532328 462909661 /nfs/dbraw/zinc/90/96/61/462909661.db2.gz HFVOJXWJZAOHJK-UHFFFAOYSA-N 0 3 347.503 2.394 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)C[C@@H]1C)cc2=O ZINC000077319094 462967265 /nfs/dbraw/zinc/96/72/65/462967265.db2.gz GZYVQBDAPKYIOY-RYUDHWBXSA-N 0 3 332.404 2.232 20 10 EECDHN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185006957 463734391 /nfs/dbraw/zinc/73/43/91/463734391.db2.gz ZEQRLLQQPMDCLX-CQSZACIVSA-N 0 3 349.475 2.042 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1OC ZINC000289847310 464097310 /nfs/dbraw/zinc/09/73/10/464097310.db2.gz PUMMWRWUZMAADY-SJKOYZFVSA-N 0 3 336.432 2.192 20 10 EECDHN CCOc1ccc(O)c(CN(CCO)CCOCC(F)(F)F)c1 ZINC000271169678 464286084 /nfs/dbraw/zinc/28/60/84/464286084.db2.gz ITWOFWAZVHVKAQ-UHFFFAOYSA-N 0 3 337.338 2.164 20 10 EECDHN CC[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(C)cc1[O-] ZINC000281249631 464386466 /nfs/dbraw/zinc/38/64/66/464386466.db2.gz VVDUBSFENFVPJI-CZUORRHYSA-N 0 3 342.443 2.299 20 10 EECDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1c(C)cc(C)cc1[O-])CC2 ZINC000285197966 464483252 /nfs/dbraw/zinc/48/32/52/464483252.db2.gz NZVIUVJEWDVUKV-KGLIPLIRSA-N 0 3 330.432 2.413 20 10 EECDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000246188540 464556531 /nfs/dbraw/zinc/55/65/31/464556531.db2.gz IACUMYVKKSEALG-CZUORRHYSA-N 0 3 336.455 2.373 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182160804 464587500 /nfs/dbraw/zinc/58/75/00/464587500.db2.gz FQYOIPREWBAIRI-CQSZACIVSA-N 0 3 332.356 2.172 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182160804 464587507 /nfs/dbraw/zinc/58/75/07/464587507.db2.gz FQYOIPREWBAIRI-CQSZACIVSA-N 0 3 332.356 2.172 20 10 EECDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000295066150 464693762 /nfs/dbraw/zinc/69/37/62/464693762.db2.gz OVXVYRUTBREGRF-MRXNPFEDSA-N 0 3 343.807 2.066 20 10 EECDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000295066150 464693768 /nfs/dbraw/zinc/69/37/68/464693768.db2.gz OVXVYRUTBREGRF-MRXNPFEDSA-N 0 3 343.807 2.066 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000273087486 464703281 /nfs/dbraw/zinc/70/32/81/464703281.db2.gz RVBMJQMKFBEWQM-VQTJNVASSA-N 0 3 345.487 2.258 20 10 EECDHN CCO[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@]12CCCO2 ZINC000360722250 465599460 /nfs/dbraw/zinc/59/94/60/465599460.db2.gz SNMJNSNDYXYQGE-ZCNNSNEGSA-N 0 3 346.471 2.339 20 10 EECDHN COc1cc(O)c(CN[C@]2(CO)CCc3ccccc32)cc1OC ZINC000371505015 465841136 /nfs/dbraw/zinc/84/11/36/465841136.db2.gz HUYHOVITOZSJIN-IBGZPJMESA-N 0 3 329.396 2.333 20 10 EECDHN COc1ccc(C[NH2+]C[C@]([O-])(c2nccn2C)C(F)(F)F)cc1C ZINC000299304512 524072485 /nfs/dbraw/zinc/07/24/85/524072485.db2.gz BUHJOFPAWJDPTO-HNNXBMFYSA-N 0 3 343.349 2.277 20 10 EECDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000104316125 529006149 /nfs/dbraw/zinc/00/61/49/529006149.db2.gz TUSYQOCZGLCHCF-SFHVURJKSA-N 0 3 331.460 2.014 20 10 EECDHN CC[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000090017850 529203207 /nfs/dbraw/zinc/20/32/07/529203207.db2.gz HMPUTLGOYZIWQA-QZTJIDSGSA-N 0 3 341.459 2.332 20 10 EECDHN COCCN(C)CCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471672313 536786747 /nfs/dbraw/zinc/78/67/47/536786747.db2.gz UXWLNQMFPRMQPB-UHFFFAOYSA-N 0 3 346.475 2.254 20 10 EECDHN CO[C@H](CNCc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F ZINC000771839511 577233682 /nfs/dbraw/zinc/23/36/82/577233682.db2.gz WPFVQWWGMCJDSS-OAHLLOKOSA-N 0 3 331.382 2.105 20 10 EECDHN C[C@@H](NCc1ccn(C)c(=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000775260073 577433811 /nfs/dbraw/zinc/43/38/11/577433811.db2.gz MSZXCXIEFKORMC-OAHLLOKOSA-N 0 3 327.428 2.073 20 10 EECDHN CN1CCN(c2ccc(CN3CCCC[C@@H]3C3OCCO3)cc2)CC1 ZINC000775675046 577442434 /nfs/dbraw/zinc/44/24/34/577442434.db2.gz QIOHAHXCGAOOEK-LJQANCHMSA-N 0 3 345.487 2.166 20 10 EECDHN COc1cccc([O-])c1C[NH2+]C[C@H](Cc1ccccc1Cl)C(N)=O ZINC000776935463 577470069 /nfs/dbraw/zinc/47/00/69/577470069.db2.gz CIBASTBSVJJIBX-ZDUSSCGKSA-N 0 3 348.830 2.488 20 10 EECDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000768781032 577562382 /nfs/dbraw/zinc/56/23/82/577562382.db2.gz HQDUWKACQBAKTQ-UHFFFAOYSA-N 0 3 346.349 2.291 20 10 EECDHN COc1ccc([C@H](CO)N(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000769425827 577577641 /nfs/dbraw/zinc/57/76/41/577577641.db2.gz WYHQSLRMXQRYQI-HNNXBMFYSA-N 0 3 331.368 2.295 20 10 EECDHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC12CC2 ZINC000763731279 577725428 /nfs/dbraw/zinc/72/54/28/577725428.db2.gz VAMIKEQLAPLHRT-CVEARBPZSA-N 0 3 331.412 2.469 20 10 EECDHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC12CC2 ZINC000763731279 577725429 /nfs/dbraw/zinc/72/54/29/577725429.db2.gz VAMIKEQLAPLHRT-CVEARBPZSA-N 0 3 331.412 2.469 20 10 EECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000756489659 577845001 /nfs/dbraw/zinc/84/50/01/577845001.db2.gz QRYVXGKENBDNGN-MDZLAQPJSA-N 0 3 342.436 2.093 20 10 EECDHN COc1cccc(CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1O ZINC000745493900 577914372 /nfs/dbraw/zinc/91/43/72/577914372.db2.gz FWKNZYSRZGPBBM-ZIAGYGMSSA-N 0 3 335.448 2.463 20 10 EECDHN NC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCCC1 ZINC000746316855 577925851 /nfs/dbraw/zinc/92/58/51/577925851.db2.gz CUMVHHBPWKWBBH-UHFFFAOYSA-N 0 3 349.450 2.065 20 10 EECDHN CCCN1CCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000749564195 577978205 /nfs/dbraw/zinc/97/82/05/577978205.db2.gz VWZHEIQYBUCEKE-LJQANCHMSA-N 0 3 345.487 2.356 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]23C[C@@H]2COC3(C)C)N(C)C)cc1 ZINC000891246548 676240665 /nfs/dbraw/zinc/24/06/65/676240665.db2.gz PBRQLCQDCNJXEE-OXFYSEKESA-N 0 3 345.487 2.287 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCCC[C@@H]2O)N(C)C)cc1 ZINC000891247886 676241174 /nfs/dbraw/zinc/24/11/74/676241174.db2.gz IOQLEPIIBJVJAD-QRQLOZEOSA-N 0 3 347.503 2.413 20 10 EECDHN COC1(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891247413 676241781 /nfs/dbraw/zinc/24/17/81/676241781.db2.gz HBMMAKQLIRZKEP-KRWDZBQOSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn(C)nc2Cl)N(C)C)cc1 ZINC000891249758 676244675 /nfs/dbraw/zinc/24/46/75/676244675.db2.gz SIZGWTKPTDEQRU-OAHLLOKOSA-N 0 3 349.866 2.172 20 10 EECDHN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1C ZINC000891251621 676248111 /nfs/dbraw/zinc/24/81/11/676248111.db2.gz CIIDCFBWVGXJKO-GOSISDBHSA-N 0 3 328.460 2.432 20 10 EECDHN CC[C@@H]1CC[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891251589 676248334 /nfs/dbraw/zinc/24/83/34/676248334.db2.gz HCIZFBJMEOUDJB-FGTMMUONSA-N 0 3 333.476 2.429 20 10 EECDHN COc1ccc(CNCCNS(=O)(=O)c2ccc(C)cc2)cc1C ZINC000065977248 681266428 /nfs/dbraw/zinc/26/64/28/681266428.db2.gz OGDGPDZNDGNQDZ-UHFFFAOYSA-N 0 3 348.468 2.380 20 10 EECDHN COc1cc(CN[C@H](C)C(=O)NCCF)c(O)c(C(C)(C)C)c1 ZINC000850285498 681732602 /nfs/dbraw/zinc/73/26/02/681732602.db2.gz YQZZSGNSXJXAJY-LLVKDONJSA-N 0 3 326.412 2.262 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCSC2)N(C)C)cc1 ZINC000893296465 684564522 /nfs/dbraw/zinc/56/45/22/684564522.db2.gz TYIVNRRZFITLKU-GDBMZVCRSA-N 0 3 336.505 2.160 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CCO[C@@H]2CCOC2)c1[O-] ZINC000897202087 686239238 /nfs/dbraw/zinc/23/92/38/686239238.db2.gz PEFHMMWOLSUCON-CYBMUJFWSA-N 0 3 330.222 2.358 20 10 EECDHN OC[C@@H]1CN(Cc2cc(F)c(F)cc2O)CCN1Cc1ccccc1 ZINC001142508765 1188207222 /nfs/dbraw/zinc/20/72/22/1188207222.db2.gz KQNIOJNNBCABNB-INIZCTEOSA-N 0 3 348.393 2.349 20 10 EECDHN CC[C@H](C)N1C[C@@]2(CCN(Cc3cc(OC)ccc3O)C2)OCC1=O ZINC001272637636 1190943943 /nfs/dbraw/zinc/94/39/43/1190943943.db2.gz MGHAWMXNAYJXGR-LIRRHRJNSA-N 0 3 348.443 2.003 20 10 EECDHN COCCCN1CC[C@@]2(CCCN2Cc2ccc(O)c(C)c2O)C1=O ZINC001272660125 1190978082 /nfs/dbraw/zinc/97/80/82/1190978082.db2.gz KHUILAQDOYEIKT-IBGZPJMESA-N 0 3 348.443 2.010 20 10 EECDHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCN1C1CCCC1 ZINC000874154300 1198805941 /nfs/dbraw/zinc/80/59/41/1198805941.db2.gz FACBOAQJKXEWNX-IBGZPJMESA-N 0 3 343.471 2.156 20 10 EECDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876976934 1199834684 /nfs/dbraw/zinc/83/46/84/1199834684.db2.gz PQJNUWKLEHVKRM-SFHVURJKSA-N 0 3 333.476 2.027 20 10 EECDHN CCN1CCN(c2ccc(CNCc3snnc3C)cc2F)CC1 ZINC000877012494 1199844200 /nfs/dbraw/zinc/84/42/00/1199844200.db2.gz VAGFRPCXVKITDF-UHFFFAOYSA-N 0 3 349.479 2.417 20 10 EECDHN COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(C)cc2[O-])cc1O ZINC000877527539 1199956431 /nfs/dbraw/zinc/95/64/31/1199956431.db2.gz QBFTUMZQZCKFJD-OAHLLOKOSA-N 0 3 331.412 2.356 20 10 EECDHN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000879648308 1201193385 /nfs/dbraw/zinc/19/33/85/1201193385.db2.gz JJUYGUKNPUHPGK-ILXRZTDVSA-N 0 3 348.443 2.233 20 10 EECDHN Cc1cc(C)c(CN2CC3(CCN3CCn3ccnc3)C2)c(O)c1 ZINC001276364733 1216913459 /nfs/dbraw/zinc/91/34/59/1216913459.db2.gz DLZUTNNMBVAKSG-UHFFFAOYSA-N 0 3 326.444 2.166 20 10 EECDHN COc1cc(Br)cc(CN2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000305868292 1217386885 /nfs/dbraw/zinc/38/68/85/1217386885.db2.gz NPWPDNJNOMVFID-NXEZZACHSA-N 0 3 330.222 2.366 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCN2CC2CCC2)cc1 ZINC001039059267 1230271237 /nfs/dbraw/zinc/27/12/37/1230271237.db2.gz FGRVKOFIJFXKLC-HNNXBMFYSA-N 0 3 329.404 2.453 20 10 EECDHN CCCN1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)[C@@H]1C ZINC000900186441 1234074213 /nfs/dbraw/zinc/07/42/13/1234074213.db2.gz ZVQIFIYHKXHFRN-WMLDXEAASA-N 0 3 346.475 2.418 20 10 EECDHN C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(F)ccc1[O-] ZINC000903373443 1240335520 /nfs/dbraw/zinc/33/55/20/1240335520.db2.gz WDPBQQYQPOFLLQ-LBPRGKRZSA-N 0 3 325.380 2.230 20 10 EECDHN C[C@@H]1C[C@@H](NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c2ncnn21 ZINC000903449195 1240497150 /nfs/dbraw/zinc/49/71/50/1240497150.db2.gz WKUNGMBJYQFMDG-XYPHTWIQSA-N 0 3 328.464 2.242 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c1[O-] ZINC000858468949 1294125650 /nfs/dbraw/zinc/12/56/50/1294125650.db2.gz NRFAFQFDBHEBJA-WFASDCNBSA-N 0 3 339.867 2.344 20 10 EECDHN COCCN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001072103202 1295242634 /nfs/dbraw/zinc/24/26/34/1295242634.db2.gz VICZRFIJNYTIFI-DOMZBBRYSA-N 0 3 347.419 2.078 20 10 EECDHN c1cn(CCN2C[C@H]3CC[C@@H](C2)N3c2ccc3c(c2)OCCO3)cn1 ZINC001277014258 1300831377 /nfs/dbraw/zinc/83/13/77/1300831377.db2.gz NRDLKOSQTAYZQP-CALCHBBNSA-N 0 3 340.427 2.008 20 10 EECDHN CCN(C(=O)[C@H]1COCCC12C[NH+](Cc1ccccc1[O-])C2)C(C)C ZINC001277441573 1303030367 /nfs/dbraw/zinc/03/03/67/1303030367.db2.gz OCIUMBQSYXAKAA-QGZVFWFLSA-N 0 3 346.471 2.488 20 10 EECDHN CCOc1cccc(CN2CC[C@H]3C[C@]32C(=O)N2CC=CC2)c1O ZINC001277453888 1303173721 /nfs/dbraw/zinc/17/37/21/1303173721.db2.gz JHXKTTHBRFYZDQ-HNAYVOBHSA-N 0 3 328.412 2.154 20 10 EECDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)c(O)c1 ZINC001277567375 1303920584 /nfs/dbraw/zinc/92/05/84/1303920584.db2.gz GGKMZRJFDVLVTL-UXLLHSPISA-N 0 3 344.455 2.158 20 10 EECDHN C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(I)cc1[O-] ZINC001235449601 1305236931 /nfs/dbraw/zinc/23/69/31/1305236931.db2.gz CSGPCRCVOODHPZ-VHSXEESVSA-N 0 3 346.212 2.179 20 10 EECDHN COCC(=O)NC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235686218 1305330996 /nfs/dbraw/zinc/33/09/96/1305330996.db2.gz YQRXKVFNZTVDFM-UHFFFAOYSA-N 0 3 334.460 2.417 20 10 EECDHN CN1CCN(c2ccc(CN3CC4(C3)CCOCC4)c(F)c2)CC1 ZINC001236937737 1305737531 /nfs/dbraw/zinc/73/75/31/1305737531.db2.gz DQVNJHOUXPGSAD-UHFFFAOYSA-N 0 3 333.451 2.190 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001237488133 1305956406 /nfs/dbraw/zinc/95/64/06/1305956406.db2.gz JHACRSBYLMRQAE-UZLBHIALSA-N 0 3 344.455 2.065 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001237488133 1305956411 /nfs/dbraw/zinc/95/64/11/1305956411.db2.gz JHACRSBYLMRQAE-UZLBHIALSA-N 0 3 344.455 2.065 20 10 EECDHN Cc1cc(F)cc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c1[O-] ZINC001238062610 1306205851 /nfs/dbraw/zinc/20/58/51/1306205851.db2.gz VEGHWBQCSJWIDY-HUUCEWRRSA-N 0 3 328.391 2.198 20 10 EECDHN Cc1ccc(C)c(CN2C[C@@H]3C(C(=O)NC(C)(C)C)=NO[C@@H]3C2)c1O ZINC001278355685 1309738605 /nfs/dbraw/zinc/73/86/05/1309738605.db2.gz VOKPOTFSFANGGN-LSDHHAIUSA-N 0 3 345.443 2.110 20 10 EECDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)c([O-])c1 ZINC001140950529 1314994935 /nfs/dbraw/zinc/99/49/35/1314994935.db2.gz XJOUOHBYRMIHQP-UYAOXDASSA-N 0 3 344.455 2.208 20 10 EECDHN Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)c([O-])c1 ZINC001140950529 1314994936 /nfs/dbraw/zinc/99/49/36/1314994936.db2.gz XJOUOHBYRMIHQP-UYAOXDASSA-N 0 3 344.455 2.208 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c(OC)c1 ZINC001141026419 1315019097 /nfs/dbraw/zinc/01/90/97/1315019097.db2.gz PHVMCCRFONQTSF-UHFFFAOYSA-N 0 3 348.443 2.244 20 10 EECDHN CN(C)C[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141074351 1315036554 /nfs/dbraw/zinc/03/65/54/1315036554.db2.gz GAIRERAPXIHBRQ-LJQANCHMSA-N 0 3 329.488 2.148 20 10 EECDHN COc1c([O-])c(CNc2ccc3c(c2)C[NH2+]CCO3)ccc1[N+](=O)[O-] ZINC000841083428 1315470810 /nfs/dbraw/zinc/47/08/10/1315470810.db2.gz UIWISZLRECORBH-UHFFFAOYSA-N 0 3 345.355 2.403 20 10 EECDHN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnc3c(c2)CNCC3)c1 ZINC000841321169 1315529479 /nfs/dbraw/zinc/52/94/79/1315529479.db2.gz BBSJJCXQSGMFGX-NSHDSACASA-N 0 3 342.399 2.324 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3cc(CO)ccc3C2)c([O-])c1 ZINC001249178738 1317018155 /nfs/dbraw/zinc/01/81/55/1317018155.db2.gz VCSYMIQXYXXRNJ-UHFFFAOYSA-N 0 3 341.407 2.158 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CCc3cc(CO)ccc3C2)c([O-])c1 ZINC001249178738 1317018165 /nfs/dbraw/zinc/01/81/65/1317018165.db2.gz VCSYMIQXYXXRNJ-UHFFFAOYSA-N 0 3 341.407 2.158 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC001249736981 1317160191 /nfs/dbraw/zinc/16/01/91/1317160191.db2.gz FHHMWOFWRBMNOH-OAHLLOKOSA-N 0 3 337.416 2.335 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC001249736981 1317160196 /nfs/dbraw/zinc/16/01/96/1317160196.db2.gz FHHMWOFWRBMNOH-OAHLLOKOSA-N 0 3 337.416 2.335 20 10 EECDHN CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4ccccc4[O-])C[C@@H]32)N=C1C ZINC001203552213 1321910689 /nfs/dbraw/zinc/91/06/89/1321910689.db2.gz FFMYEFMMMSARSN-SIXWZSSISA-N 0 3 327.428 2.253 20 10 EECDHN CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4[O-])C[C@@H]32)N=C1C ZINC001203552213 1321910692 /nfs/dbraw/zinc/91/06/92/1321910692.db2.gz FFMYEFMMMSARSN-SIXWZSSISA-N 0 3 327.428 2.253 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203623087 1321925018 /nfs/dbraw/zinc/92/50/18/1321925018.db2.gz HXLBKGYZEHNKGH-PBHICJAKSA-N 0 3 332.444 2.480 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203623087 1321925021 /nfs/dbraw/zinc/92/50/21/1321925021.db2.gz HXLBKGYZEHNKGH-PBHICJAKSA-N 0 3 332.444 2.480 20 10 EECDHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(N(C)C)cc2)O1 ZINC001203932741 1321993708 /nfs/dbraw/zinc/99/37/08/1321993708.db2.gz BHVPZFDKHBHNTK-KURKYZTESA-N 0 3 331.460 2.009 20 10 EECDHN COc1ccncc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001261232490 1322048693 /nfs/dbraw/zinc/04/86/93/1322048693.db2.gz IMRKMCQLGHTGDC-UHFFFAOYSA-N 0 3 344.434 2.271 20 10 EECDHN O=C1OC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)c2cnccc21 ZINC001204277760 1322102957 /nfs/dbraw/zinc/10/29/57/1322102957.db2.gz KWJIEBRTBHKVKB-UHFFFAOYSA-N 0 3 326.352 2.155 20 10 EECDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)N1CCCCC1 ZINC001204277627 1322103292 /nfs/dbraw/zinc/10/32/92/1322103292.db2.gz HIADUIPCHNNBHG-UHFFFAOYSA-N 0 3 333.432 2.258 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCOCC2)N(C)C)cc1 ZINC001262369561 1322289482 /nfs/dbraw/zinc/28/94/82/1322289482.db2.gz IQCILDSOMRFMBU-AEFFLSMTSA-N 0 3 348.491 2.224 20 10 EECDHN C[C@H]1[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCN1C ZINC001341781306 1337298827 /nfs/dbraw/zinc/29/88/27/1337298827.db2.gz PXPOVQWPLWQKBC-FZMZJTMJSA-N 0 3 330.457 2.139 20 10 EECDHN CCOC(=O)NC1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141032548 1372746150 /nfs/dbraw/zinc/74/61/50/1372746150.db2.gz GDJONADUKGXZTE-UHFFFAOYSA-N 0 3 338.404 2.120 20 10 EECDHN CCN(C)c1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC001167427057 758351813 /nfs/dbraw/zinc/35/18/13/758351813.db2.gz VVEQDYFUFJUMEK-UHFFFAOYSA-N 0 3 340.475 2.297 20 10 EECDHN CC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)[S@@]1=O ZINC000809700843 783291605 /nfs/dbraw/zinc/29/16/05/783291605.db2.gz PFHHYIKSGMZOKX-XKPFWTEKSA-N 0 3 349.544 2.170 20 10 EECDHN Cc1noc([C@H]2CCCN2Cc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000809720822 783336302 /nfs/dbraw/zinc/33/63/02/783336302.db2.gz HQNDOVXYJGITSM-GOSISDBHSA-N 0 3 341.459 2.467 20 10 EECDHN COc1cc(Br)cc(CN[C@@H](C)C(=O)NC(C)C)c1O ZINC000840975630 783362874 /nfs/dbraw/zinc/36/28/74/783362874.db2.gz ZYLCGWKOGDPVMW-VIFPVBQESA-N 0 3 345.237 2.166 20 10 EECDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000819695881 785644230 /nfs/dbraw/zinc/64/42/30/785644230.db2.gz CSJULNTVTBAMDA-HUUCEWRRSA-N 0 3 348.443 2.157 20 10 EECDHN C[C@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)c2nccn21 ZINC000825017761 788397044 /nfs/dbraw/zinc/39/70/44/788397044.db2.gz YUWBMWWNTICMTG-MAUKXSAKSA-N 0 3 325.460 2.431 20 10 EECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2CO)c1[O-] ZINC000825182877 788470830 /nfs/dbraw/zinc/47/08/30/788470830.db2.gz DKIOLIGNGJVGJN-BXKDBHETSA-N 0 3 330.222 2.414 20 10 EECDHN COc1ccc(N(C)CCN(C)CCn2c(C)csc2=O)cc1 ZINC000844400013 789066863 /nfs/dbraw/zinc/06/68/63/789066863.db2.gz SGVBHLNRPNPMLX-UHFFFAOYSA-N 0 3 335.473 2.295 20 10 EECDHN COc1ccc(N2CCN([C@@H]3CCN4C(=O)CC[C@H]4C3)CC2)c(C)c1 ZINC001172185883 796897829 /nfs/dbraw/zinc/89/78/29/796897829.db2.gz QVKFJDFYOGFSLH-SJORKVTESA-N 0 3 343.471 2.279 20 10 EECDHN O=C1C[C@@H]([NH2+]Cc2cccc(O)c2[O-])CCN1Cc1ccccc1 ZINC001172676364 797066466 /nfs/dbraw/zinc/06/64/66/797066466.db2.gz NVSYKIDNPROURV-INIZCTEOSA-N 0 3 326.396 2.379 20 10 EECDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206200975 797476150 /nfs/dbraw/zinc/47/61/50/797476150.db2.gz UUAYXFFZAWDHDS-VXGBXAGGSA-N 0 3 347.228 2.425 20 10 EECDHN COc1ccc(N2CCN(CCCNCc3cccnc3)CC2)cc1 ZINC000102560277 237071670 /nfs/dbraw/zinc/07/16/70/237071670.db2.gz FVOJZWZNYVOMKM-UHFFFAOYSA-N 0 3 340.471 2.392 20 10 EECDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)Cn1cccn1 ZINC000051476390 132181355 /nfs/dbraw/zinc/18/13/55/132181355.db2.gz NQNXDBAXDHMHKA-IBGZPJMESA-N 0 3 328.460 2.366 20 10 EECDHN CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296167409 465101162 /nfs/dbraw/zinc/10/11/62/465101162.db2.gz XLHVVYVILBQRLV-INIZCTEOSA-N 0 3 346.452 2.420 20 10 EECDHN COCCCNC(=O)C1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000055034686 463277326 /nfs/dbraw/zinc/27/73/26/463277326.db2.gz RYYZIGYXHYPLMI-UHFFFAOYSA-N 0 3 334.460 2.374 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1C ZINC000159403361 463283991 /nfs/dbraw/zinc/28/39/91/463283991.db2.gz JYCKMEAZJNZZMZ-INIZCTEOSA-N 0 3 340.489 2.303 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1C ZINC000159403361 463283994 /nfs/dbraw/zinc/28/39/94/463283994.db2.gz JYCKMEAZJNZZMZ-INIZCTEOSA-N 0 3 340.489 2.303 20 10 EECDHN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2=O)n(C)n1 ZINC000186083445 463933944 /nfs/dbraw/zinc/93/39/44/463933944.db2.gz GPNFLWNZKMQRAB-DZGCQCFKSA-N 0 3 328.416 2.199 20 10 EECDHN COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(C)ccc2[O-])cc1O ZINC000289429360 464078275 /nfs/dbraw/zinc/07/82/75/464078275.db2.gz KMDSLGLGRMBEEX-HNNXBMFYSA-N 0 3 331.412 2.356 20 10 EECDHN O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000188410977 464274577 /nfs/dbraw/zinc/27/45/77/464274577.db2.gz UIFSWMZJTXGDRK-MRXNPFEDSA-N 0 3 340.423 2.392 20 10 EECDHN O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000188410977 464274585 /nfs/dbraw/zinc/27/45/85/464274585.db2.gz UIFSWMZJTXGDRK-MRXNPFEDSA-N 0 3 340.423 2.392 20 10 EECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)c([O-])c1 ZINC000294400792 464489245 /nfs/dbraw/zinc/48/92/45/464489245.db2.gz SMBYMDOMZZZZBS-ZIAGYGMSSA-N 0 3 342.443 2.218 20 10 EECDHN CCCN(CC(=O)NCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000181932537 464538472 /nfs/dbraw/zinc/53/84/72/464538472.db2.gz NIPUCNWRYZFVOW-UHFFFAOYSA-N 0 3 336.432 2.062 20 10 EECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1C ZINC000285565534 464611544 /nfs/dbraw/zinc/61/15/44/464611544.db2.gz SWUUMLIRJSTZON-OAHLLOKOSA-N 0 3 338.473 2.055 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246921868 464634580 /nfs/dbraw/zinc/63/45/80/464634580.db2.gz WFNZDMFAFQBGMY-PKOBYXMFSA-N 0 3 345.487 2.212 20 10 EECDHN C[C@@H]1CSCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000190468407 464652043 /nfs/dbraw/zinc/65/20/43/464652043.db2.gz SGHGLSAMABGBOE-HNNXBMFYSA-N 0 3 335.517 2.396 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@@H](C)COC ZINC000282484974 464835766 /nfs/dbraw/zinc/83/57/66/464835766.db2.gz PESOCWOCEUXXCZ-RDJZCZTQSA-N 0 3 325.449 2.407 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CO[C@@H](C)COC ZINC000282484974 464835773 /nfs/dbraw/zinc/83/57/73/464835773.db2.gz PESOCWOCEUXXCZ-RDJZCZTQSA-N 0 3 325.449 2.407 20 10 EECDHN Cc1ccc(O)c(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000282711466 464918368 /nfs/dbraw/zinc/91/83/68/464918368.db2.gz KSVQBDNLKFUZQI-UHFFFAOYSA-N 0 3 338.473 2.091 20 10 EECDHN COc1cc(Cl)cc(CN2CCC[C@@H](CNC(C)=O)C2)c1O ZINC000184670353 465015728 /nfs/dbraw/zinc/01/57/28/465015728.db2.gz KELIDCOAQRAMBU-LBPRGKRZSA-N 0 3 326.824 2.402 20 10 EECDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000299282785 465681398 /nfs/dbraw/zinc/68/13/98/465681398.db2.gz OWWCGXBKQFDPIX-HOTGVXAUSA-N 0 3 334.460 2.372 20 10 EECDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000299282785 465681404 /nfs/dbraw/zinc/68/14/04/465681404.db2.gz OWWCGXBKQFDPIX-HOTGVXAUSA-N 0 3 334.460 2.372 20 10 EECDHN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000299628726 465832446 /nfs/dbraw/zinc/83/24/46/465832446.db2.gz LJNXIEHFIDOJEP-BRWVUGGUSA-N 0 3 345.487 2.401 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530228044 467965406 /nfs/dbraw/zinc/96/54/06/467965406.db2.gz XSSGBGMJXLJIMJ-ZYHUDNBSSA-N 0 3 329.238 2.102 20 10 EECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](CN)c1ccccc1 ZINC000573728746 469196154 /nfs/dbraw/zinc/19/61/54/469196154.db2.gz FAOGTVFMPYCDTF-MRXNPFEDSA-N 0 3 325.412 2.221 20 10 EECDHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000738514028 578017786 /nfs/dbraw/zinc/01/77/86/578017786.db2.gz RXTCVHGDKZUFMQ-KBPBESRZSA-N 0 3 337.489 2.084 20 10 EECDHN CCN(CC)c1ccc(CNC(=S)NCCN(C)C)cc1F ZINC000731319090 577094052 /nfs/dbraw/zinc/09/40/52/577094052.db2.gz OMCVXKPDYWLRPK-UHFFFAOYSA-N 0 3 326.485 2.198 20 10 EECDHN COc1ccc(O)c(CNCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000776250028 577455619 /nfs/dbraw/zinc/45/56/19/577455619.db2.gz CVMGUAUOZZEKKK-UHFFFAOYSA-N 0 3 333.409 2.020 20 10 EECDHN C[C@H](NC[C@H]1COCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000765251238 577497922 /nfs/dbraw/zinc/49/79/22/577497922.db2.gz NNYIQOKOTSDZPH-ZFWWWQNUSA-N 0 3 340.851 2.243 20 10 EECDHN Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465347 577556504 /nfs/dbraw/zinc/55/65/04/577556504.db2.gz ZQUPLAQYNQRLJD-RDJZCZTQSA-N 0 3 329.400 2.197 20 10 EECDHN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465347 577556505 /nfs/dbraw/zinc/55/65/05/577556505.db2.gz ZQUPLAQYNQRLJD-RDJZCZTQSA-N 0 3 329.400 2.197 20 10 EECDHN CNC(=O)CCN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769315187 577574862 /nfs/dbraw/zinc/57/48/62/577574862.db2.gz HANDKUVALSGLDS-UHFFFAOYSA-N 0 3 334.420 2.153 20 10 EECDHN COc1ccc(N2CCCN(C(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC000762980193 577712187 /nfs/dbraw/zinc/71/21/87/577712187.db2.gz XPACHJPOUIWMIG-UHFFFAOYSA-N 0 3 331.460 2.218 20 10 EECDHN CNc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891245260 676238235 /nfs/dbraw/zinc/23/82/35/676238235.db2.gz BICNBSFFOPBYKD-CQSZACIVSA-N 0 3 347.488 2.284 20 10 EECDHN CO[C@](C)(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891246237 676238309 /nfs/dbraw/zinc/23/83/09/676238309.db2.gz BCGVPGGLTBSMKS-HKUYNNGSSA-N 0 3 333.476 2.287 20 10 EECDHN Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256212 676252030 /nfs/dbraw/zinc/25/20/30/676252030.db2.gz VUVZMFVQEVVHRK-QGZVFWFLSA-N 0 3 343.475 2.136 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ccncc2)N(C)C)cc1 ZINC000891255640 676253140 /nfs/dbraw/zinc/25/31/40/676253140.db2.gz QVHZRFZLGYCYLZ-LJQANCHMSA-N 0 3 340.471 2.499 20 10 EECDHN CC[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC000894974530 683445034 /nfs/dbraw/zinc/44/50/34/683445034.db2.gz HGXXQVANUWDLAW-IAGOWNOFSA-N 0 3 336.480 2.080 20 10 EECDHN CCC1(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)COC1 ZINC000895226321 684314648 /nfs/dbraw/zinc/31/46/48/684314648.db2.gz MFDRYOTZWXSMJC-QGZVFWFLSA-N 0 3 348.491 2.081 20 10 EECDHN OC[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895846557 684746684 /nfs/dbraw/zinc/74/66/84/684746684.db2.gz QFWDBJIAHMYOPM-INIZCTEOSA-N 0 3 344.377 2.270 20 10 EECDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000124403881 685761988 /nfs/dbraw/zinc/76/19/88/685761988.db2.gz SLUHCPYHLYYJAV-SFHVURJKSA-N 0 3 349.450 2.153 20 10 EECDHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000897649127 691726990 /nfs/dbraw/zinc/72/69/90/691726990.db2.gz APNPLSMGHWNFHV-UKRRQHHQSA-N 0 3 340.395 2.255 20 10 EECDHN CCCn1cc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898447229 693323654 /nfs/dbraw/zinc/32/36/54/693323654.db2.gz HOWBGBSIVOLSQL-GOSISDBHSA-N 0 3 330.480 2.147 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](CF)C2)N(C)C)cc1 ZINC000899097765 693601879 /nfs/dbraw/zinc/60/18/79/693601879.db2.gz GMPGRAFIECSMAW-PBHICJAKSA-N 0 3 336.455 2.356 20 10 EECDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cnoc4)C3=O)C2)c([O-])c1 ZINC001272764659 1193486299 /nfs/dbraw/zinc/48/62/99/1193486299.db2.gz CNIDAEGDKMHXFB-IBGZPJMESA-N 0 3 341.411 2.313 20 10 EECDHN Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cnoc4)C3=O)C2)c([O-])c1 ZINC001272764659 1193486301 /nfs/dbraw/zinc/48/63/01/1193486301.db2.gz CNIDAEGDKMHXFB-IBGZPJMESA-N 0 3 341.411 2.313 20 10 EECDHN CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000702587170 1196020787 /nfs/dbraw/zinc/02/07/87/1196020787.db2.gz LUHCARNIEQKYEY-UKRRQHHQSA-N 0 3 343.265 2.262 20 10 EECDHN C[C@@H](NC(=O)C1(N(C)C)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000119696928 1197912506 /nfs/dbraw/zinc/91/25/06/1197912506.db2.gz CZTHQPJTPUUHFP-OAHLLOKOSA-N 0 3 331.460 2.185 20 10 EECDHN Cc1ccc(O)c(CNC(=O)NC2CCN(CCOC(C)C)CC2)c1 ZINC000875338078 1199215055 /nfs/dbraw/zinc/21/50/55/1199215055.db2.gz IPHMIBJQXHVKFF-UHFFFAOYSA-N 0 3 349.475 2.389 20 10 EECDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(N2CCNC2=O)cc1 ZINC000883282407 1202039865 /nfs/dbraw/zinc/03/98/65/1202039865.db2.gz RMMVVCLHSKBCRZ-UHFFFAOYSA-N 0 3 327.384 2.220 20 10 EECDHN COc1cccc(O)c1CNCc1ccc(N2CCNC2=O)cc1 ZINC000883282407 1202039869 /nfs/dbraw/zinc/03/98/69/1202039869.db2.gz RMMVVCLHSKBCRZ-UHFFFAOYSA-N 0 3 327.384 2.220 20 10 EECDHN CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001274663213 1205120723 /nfs/dbraw/zinc/12/07/23/1205120723.db2.gz CRYZSCWPEXCDJQ-FQEVSTJZSA-N 0 3 340.423 2.226 20 10 EECDHN CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001274663213 1205120725 /nfs/dbraw/zinc/12/07/25/1205120725.db2.gz CRYZSCWPEXCDJQ-FQEVSTJZSA-N 0 3 340.423 2.226 20 10 EECDHN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)ccc2[O-])n(C)n1 ZINC001275914117 1205583553 /nfs/dbraw/zinc/58/35/53/1205583553.db2.gz VTOCWIAOXFPGNJ-ROUUACIJSA-N 0 3 344.434 2.422 20 10 EECDHN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(F)ccc2[O-])n(C)n1 ZINC001275914117 1205583555 /nfs/dbraw/zinc/58/35/55/1205583555.db2.gz VTOCWIAOXFPGNJ-ROUUACIJSA-N 0 3 344.434 2.422 20 10 EECDHN COCCOCN1CC2(C1)CCC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275914089 1205583607 /nfs/dbraw/zinc/58/36/07/1205583607.db2.gz VBKNQLLBGCFHMU-UHFFFAOYSA-N 0 3 338.423 2.050 20 10 EECDHN COCCOCN1CC2(C1)CCC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275914089 1205583608 /nfs/dbraw/zinc/58/36/08/1205583608.db2.gz VBKNQLLBGCFHMU-UHFFFAOYSA-N 0 3 338.423 2.050 20 10 EECDHN Cc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c(O)c1 ZINC001276169837 1205811833 /nfs/dbraw/zinc/81/18/33/1205811833.db2.gz XOEUBLBLEAXVKB-MJGOQNOKSA-N 0 3 327.428 2.114 20 10 EECDHN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924719285 1206023310 /nfs/dbraw/zinc/02/33/10/1206023310.db2.gz VKSHGZSIDGSEQE-WMLDXEAASA-N 0 3 344.459 2.220 20 10 EECDHN NC1(C(=O)NCCCSc2nccs2)Cc2ccccc2C1 ZINC000158522728 1208403131 /nfs/dbraw/zinc/40/31/31/1208403131.db2.gz CQYDFYWANIGISR-UHFFFAOYSA-N 0 3 333.482 2.238 20 10 EECDHN COc1cc(Br)cc(CN2CC[C@@H]([C@H](C)O)C2)c1O ZINC000305868296 1217386808 /nfs/dbraw/zinc/38/68/08/1217386808.db2.gz NPWPDNJNOMVFID-VHSXEESVSA-N 0 3 330.222 2.366 20 10 EECDHN NC(=O)c1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406006 1277215701 /nfs/dbraw/zinc/21/57/01/1277215701.db2.gz NWGZHNVVAUVIIY-UHFFFAOYSA-N 0 3 339.439 2.036 20 10 EECDHN OC1CCN(c2ccc(CNCc3cnc4n3CCC4)cc2)CC1 ZINC000850406484 1277216602 /nfs/dbraw/zinc/21/66/02/1277216602.db2.gz IBDHCLFINLUAIQ-UHFFFAOYSA-N 0 3 326.444 2.080 20 10 EECDHN COc1ccc(COC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000111235772 1292349317 /nfs/dbraw/zinc/34/93/17/1292349317.db2.gz VGZFTVUSJGIUNZ-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN COc1ccc(COC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000111235772 1292349329 /nfs/dbraw/zinc/34/93/29/1292349329.db2.gz VGZFTVUSJGIUNZ-QGZVFWFLSA-N 0 3 331.412 2.410 20 10 EECDHN O=C1Nc2ccccc2C[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000858281794 1294070460 /nfs/dbraw/zinc/07/04/60/1294070460.db2.gz YQFXYLAAMCQGAX-LJQANCHMSA-N 0 3 337.423 2.176 20 10 EECDHN Cc1ccc(O)c(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000862760975 1295954278 /nfs/dbraw/zinc/95/42/78/1295954278.db2.gz YMIASBUGITWXQS-UHFFFAOYSA-N 0 3 332.444 2.352 20 10 EECDHN COc1ccc(N2CCC[C@@]3(CCN(CC(=O)N(C)C)C3)C2)cc1F ZINC001277010921 1300803161 /nfs/dbraw/zinc/80/31/61/1300803161.db2.gz YTCABTLFDKVECI-IBGZPJMESA-N 0 3 349.450 2.215 20 10 EECDHN CN(C)C(=O)C1=CC2(CC1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192456 1301744241 /nfs/dbraw/zinc/74/42/41/1301744241.db2.gz OGZNMBPJWXQLJF-UHFFFAOYSA-N 0 3 330.428 2.488 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277442654 1303037600 /nfs/dbraw/zinc/03/76/00/1303037600.db2.gz YNGIOJKFGQQRJW-OAHLLOKOSA-N 0 3 326.400 2.356 20 10 EECDHN CN(C)C(=O)C1CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231469248 1303810062 /nfs/dbraw/zinc/81/00/62/1303810062.db2.gz VNNDMHSCPBPRJX-UHFFFAOYSA-N 0 3 340.423 2.491 20 10 EECDHN COc1cc(CN2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)cc1O ZINC001231634602 1303872490 /nfs/dbraw/zinc/87/24/90/1303872490.db2.gz POYCLRVXAWKMDI-XPTSAGLGSA-N 0 3 335.322 2.242 20 10 EECDHN CC(=O)N1CCC2(CC1)CN(Cc1c(C)cc(C)cc1O)CCO2 ZINC001231844910 1303928687 /nfs/dbraw/zinc/92/86/87/1303928687.db2.gz QPRPXPNSTWNQOI-UHFFFAOYSA-N 0 3 332.444 2.222 20 10 EECDHN CCCN1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232405174 1304110138 /nfs/dbraw/zinc/11/01/38/1304110138.db2.gz HPTZMCADQVKJMJ-UHFFFAOYSA-N 0 3 329.444 2.493 20 10 EECDHN CCc1ccc(C[NH+]2CCC3(CCN(CCOC)C3=O)CC2)c([O-])c1 ZINC001236786086 1305674968 /nfs/dbraw/zinc/67/49/68/1305674968.db2.gz CSLRBZWTMJARBQ-UHFFFAOYSA-N 0 3 346.471 2.416 20 10 EECDHN CC(=O)[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236939402 1305739297 /nfs/dbraw/zinc/73/92/97/1305739297.db2.gz QMMBTUHTBJXMTQ-MRXNPFEDSA-N 0 3 333.451 2.379 20 10 EECDHN COc1cc([O-])c(CN(C)[C@@H]2CC[N@H+](C)C2)c(Br)c1 ZINC001237067840 1305785801 /nfs/dbraw/zinc/78/58/01/1305785801.db2.gz LTVRBVNSFFJTGN-SNVBAGLBSA-N 0 3 329.238 2.299 20 10 EECDHN COc1cc([O-])c(CN(C)[C@@H]2CC[N@@H+](C)C2)c(Br)c1 ZINC001237067840 1305785807 /nfs/dbraw/zinc/78/58/07/1305785807.db2.gz LTVRBVNSFFJTGN-SNVBAGLBSA-N 0 3 329.238 2.299 20 10 EECDHN CO[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000831528180 1314596415 /nfs/dbraw/zinc/59/64/15/1314596415.db2.gz MJYGDIPAZFOQBO-YJBOKZPZSA-N 0 3 333.476 2.068 20 10 EECDHN O=C1COC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)CN1CC1CC1 ZINC001140053736 1314805662 /nfs/dbraw/zinc/80/56/62/1314805662.db2.gz BIRQCURLRSZFCE-UHFFFAOYSA-N 0 3 348.418 2.135 20 10 EECDHN Fc1cc(N2CCOCC2)ccc1CN1CCN(C2CCC2)CC1 ZINC001140660167 1314923542 /nfs/dbraw/zinc/92/35/42/1314923542.db2.gz HYUWEAWEGVNGIU-UHFFFAOYSA-N 0 3 333.451 2.332 20 10 EECDHN O=C1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3F)C[C@H]12 ZINC001140667867 1314926628 /nfs/dbraw/zinc/92/66/28/1314926628.db2.gz KXSVMZUFXWWPNH-PBHICJAKSA-N 0 3 332.419 2.463 20 10 EECDHN COCCCCN1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141146563 1315049899 /nfs/dbraw/zinc/04/98/99/1315049899.db2.gz ZGOFNGHJXZOWOU-UHFFFAOYSA-N 0 3 333.476 2.059 20 10 EECDHN Cc1cc(N(C)C)ccc1CNCCNS(=O)(=O)c1ccccc1 ZINC000840932142 1315439743 /nfs/dbraw/zinc/43/97/43/1315439743.db2.gz CNEXYQNVTFGJLV-UHFFFAOYSA-N 0 3 347.484 2.129 20 10 EECDHN COC(=O)CC[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])C1CCCC1 ZINC001249201516 1317022457 /nfs/dbraw/zinc/02/24/57/1317022457.db2.gz WAYLQUHHXPFDMR-UHFFFAOYSA-N 0 3 349.427 2.415 20 10 EECDHN COC(=O)CC[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])C1CCCC1 ZINC001249201516 1317022464 /nfs/dbraw/zinc/02/24/64/1317022464.db2.gz WAYLQUHHXPFDMR-UHFFFAOYSA-N 0 3 349.427 2.415 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](COCC3CC3)C2)c([O-])c1 ZINC001249213927 1317024149 /nfs/dbraw/zinc/02/41/49/1317024149.db2.gz CTERREZDNWLCSD-INIZCTEOSA-N 0 3 333.428 2.356 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](COCC3CC3)C2)c([O-])c1 ZINC001249213927 1317024160 /nfs/dbraw/zinc/02/41/60/1317024160.db2.gz CTERREZDNWLCSD-INIZCTEOSA-N 0 3 333.428 2.356 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c([O-])c1 ZINC001249214170 1317024732 /nfs/dbraw/zinc/02/47/32/1317024732.db2.gz FWQJQAZLSHXORY-QGZVFWFLSA-N 0 3 342.395 2.156 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c([O-])c1 ZINC001249214170 1317024739 /nfs/dbraw/zinc/02/47/39/1317024739.db2.gz FWQJQAZLSHXORY-QGZVFWFLSA-N 0 3 342.395 2.156 20 10 EECDHN CCOC(=O)CCCOc1ccc(CN2CC3(C2)CCOC3)c(O)c1 ZINC001249724603 1317159005 /nfs/dbraw/zinc/15/90/05/1317159005.db2.gz JAWHLTPNZZUSBZ-UHFFFAOYSA-N 0 3 349.427 2.337 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[NH+]2CC3(C2)CCOC3)c([O-])c1 ZINC001249724603 1317159010 /nfs/dbraw/zinc/15/90/10/1317159010.db2.gz JAWHLTPNZZUSBZ-UHFFFAOYSA-N 0 3 349.427 2.337 20 10 EECDHN O=c1ccc2c(n1CC1CC1)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203877319 1321980842 /nfs/dbraw/zinc/98/08/42/1321980842.db2.gz QAZUHBAMHOUUSD-UHFFFAOYSA-N 0 3 340.423 2.270 20 10 EECDHN CN(C)c1ccc(CN2CC(N3CCN(C)CC3)C2)c2ccccc21 ZINC001204240224 1322087789 /nfs/dbraw/zinc/08/77/89/1322087789.db2.gz LVIWXZKFJRARDQ-UHFFFAOYSA-N 0 3 338.499 2.337 20 10 EECDHN COc1ccc(N2CCN(CCCn3cccn3)CC2)c(OC)c1 ZINC001208084774 1324307970 /nfs/dbraw/zinc/30/79/70/1324307970.db2.gz XRMBVOXDJFJKBF-UHFFFAOYSA-N 0 3 330.432 2.113 20 10 EECDHN Cc1ccc(O)c(CNS(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC001331575452 1335039449 /nfs/dbraw/zinc/03/94/49/1335039449.db2.gz VGKDYDOLSTXOAB-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN Cc1cc(CNC(=O)c2c(CN)cnn2C)c(C)n1-c1ccccc1 ZINC001579600811 1344399434 /nfs/dbraw/zinc/39/94/34/1344399434.db2.gz AKYWMPYSVLUXAK-UHFFFAOYSA-N 0 3 337.427 2.216 20 10 EECDHN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000691461520 1371206125 /nfs/dbraw/zinc/20/61/25/1371206125.db2.gz IQJFRDZNCKVRHY-KGLIPLIRSA-N 0 3 341.249 2.108 20 10 EECDHN Cc1noc([C@@H]2C[C@@H]3CCN(Cc4ccc(O)c(C)c4O)C[C@H]3O2)n1 ZINC001140744233 1372660303 /nfs/dbraw/zinc/66/03/03/1372660303.db2.gz PZSXEMHTKNWFHO-VBNZEHGJSA-N 0 3 345.399 2.450 20 10 EECDHN CCN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920868891 770890374 /nfs/dbraw/zinc/89/03/74/770890374.db2.gz DWQZFWJKVYGRCG-HOTGVXAUSA-N 0 3 333.476 2.431 20 10 EECDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H]1COCC12OCCO2 ZINC000840796397 783005436 /nfs/dbraw/zinc/00/54/36/783005436.db2.gz MHHNVDGCPPXBCX-ZBFHGGJFSA-N 0 3 333.428 2.385 20 10 EECDHN Cc1cnc(C)nc1N1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001089835799 777473318 /nfs/dbraw/zinc/47/33/18/777473318.db2.gz LSVJIPDRPJGFBP-UHFFFAOYSA-N 0 3 345.491 2.076 20 10 EECDHN COc1ccc(CN2CCOC3(CCOCC3)CC2)c(O)c1OC ZINC000893646497 778295472 /nfs/dbraw/zinc/29/54/72/778295472.db2.gz KSXWJNZWUUCEPX-UHFFFAOYSA-N 0 3 337.416 2.181 20 10 EECDHN COc1ccc(O)c(CNCC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000822490573 787206297 /nfs/dbraw/zinc/20/62/97/787206297.db2.gz XRPRHDZIGZMPDF-UHFFFAOYSA-N 0 3 346.383 2.146 20 10 EECDHN Oc1ccc(Br)cc1CNc1ncc2c(n1)CNCC2 ZINC001171166837 789599862 /nfs/dbraw/zinc/59/98/62/789599862.db2.gz FXLPCWMSRAROQJ-UHFFFAOYSA-N 0 3 335.205 2.203 20 10 EECDHN COc1cccc([C@@H](C)NCC(=O)NCCc2ccccc2)c1O ZINC000846165370 790068261 /nfs/dbraw/zinc/06/82/61/790068261.db2.gz ZGGPILKOTUKYRZ-CQSZACIVSA-N 0 3 328.412 2.410 20 10 EECDHN CCOc1ccc(N2CCN([C@@H]3CCN(CC)C(=O)C3)CC2)cc1 ZINC001172050179 796861247 /nfs/dbraw/zinc/86/12/47/796861247.db2.gz ADLOEIARMIFLAG-QGZVFWFLSA-N 0 3 331.460 2.218 20 10 EECDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C1(O)CCN(C)CC1 ZINC001182036699 801004402 /nfs/dbraw/zinc/00/44/02/801004402.db2.gz IWXNGJCYTCBTBZ-QGZVFWFLSA-N 0 3 346.471 2.205 20 10 EECDHN COc1cc(Br)cc(CN2C[C@@H](C)C[C@H]2CO)c1O ZINC001204336723 801149663 /nfs/dbraw/zinc/14/96/63/801149663.db2.gz VQWZHOZYEMMKFU-CABZTGNLSA-N 0 3 330.222 2.366 20 10 EECDHN CCOCc1cc(CNCC2(S(C)(=O)=O)CCC2)ccc1OC ZINC000793279818 810249626 /nfs/dbraw/zinc/24/96/26/810249626.db2.gz IQSFUASFBOPZEZ-UHFFFAOYSA-N 0 3 341.473 2.289 20 10 EECDHN Cc1nc(N)sc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001523581144 1119813615 /nfs/dbraw/zinc/81/36/15/1119813615.db2.gz NMWPPWLIFQMLKG-CQSZACIVSA-N 0 3 347.488 2.132 20 10 EECDHN CC[C@H](O)[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000097600613 529711989 /nfs/dbraw/zinc/71/19/89/529711989.db2.gz CGNFQUFTEQVRGR-MOPGFXCFSA-N 0 3 347.503 2.336 20 10 EECDHN C[C@@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(F)cc1F ZINC000114509451 237176164 /nfs/dbraw/zinc/17/61/64/237176164.db2.gz WNFOOOIDYHBDHG-QGZVFWFLSA-N 0 3 337.322 2.396 20 10 EECDHN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000192745041 237338775 /nfs/dbraw/zinc/33/87/75/237338775.db2.gz VTBRRJCDJNMIRT-CYBMUJFWSA-N 0 3 326.462 2.165 20 10 EECDHN COC1CCN(c2ccc(CN3CCCN(C(C)=O)CC3)cc2)CC1 ZINC000296621137 465227035 /nfs/dbraw/zinc/22/70/35/465227035.db2.gz UVJMJENAEASCJK-UHFFFAOYSA-N 0 3 345.487 2.356 20 10 EECDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CN1C1CC1 ZINC000127755483 462580139 /nfs/dbraw/zinc/58/01/39/462580139.db2.gz BGDNEOWJTLDKAM-WMLDXEAASA-N 0 3 342.487 2.493 20 10 EECDHN C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000185341532 463804196 /nfs/dbraw/zinc/80/41/96/463804196.db2.gz JSGRDSPZBFXAGG-OAHLLOKOSA-N 0 3 341.455 2.360 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000194260445 463823106 /nfs/dbraw/zinc/82/31/06/463823106.db2.gz LDHYQGQEFOPVHR-MAUKXSAKSA-N 0 3 335.492 2.323 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@]2(CCO)CCOC2)c1[O-] ZINC000278581820 463970998 /nfs/dbraw/zinc/97/09/98/463970998.db2.gz DGLYYBJRMDNQAK-AWEZNQCLSA-N 0 3 330.222 2.094 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(C)cc1[O-] ZINC000280036782 464183329 /nfs/dbraw/zinc/18/33/29/464183329.db2.gz INSRHVWXWSOZSN-JKSUJKDBSA-N 0 3 328.416 2.280 20 10 EECDHN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1[O-] ZINC000284944683 464400921 /nfs/dbraw/zinc/40/09/21/464400921.db2.gz VRNXRQVTMBXUBY-RVZJWNSFSA-N 0 3 328.416 2.138 20 10 EECDHN CC(C)OCCN1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181154280 464451457 /nfs/dbraw/zinc/45/14/57/464451457.db2.gz HQZRQSXGLACVHL-GQCTYLIASA-N 0 3 348.443 2.117 20 10 EECDHN CN1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1=O ZINC000273127254 464705754 /nfs/dbraw/zinc/70/57/54/464705754.db2.gz AWPBUQHEYJSZBO-MRXNPFEDSA-N 0 3 326.396 2.292 20 10 EECDHN C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccccc1[O-] ZINC000183622911 464888701 /nfs/dbraw/zinc/88/87/01/464888701.db2.gz LOAUUDFYRSCMBT-LBPRGKRZSA-N 0 3 340.470 2.425 20 10 EECDHN CCO[C@@H]1C[C@@H](NCC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000295853917 464986888 /nfs/dbraw/zinc/98/68/88/464986888.db2.gz DLYZPUZVAVIJJD-QZTJIDSGSA-N 0 3 345.487 2.306 20 10 EECDHN Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000184728661 465022530 /nfs/dbraw/zinc/02/25/30/465022530.db2.gz DOXMHXVUCAFMEZ-ZDUSSCGKSA-N 0 3 329.400 2.309 20 10 EECDHN Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000184728661 465022532 /nfs/dbraw/zinc/02/25/32/465022532.db2.gz DOXMHXVUCAFMEZ-ZDUSSCGKSA-N 0 3 329.400 2.309 20 10 EECDHN CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccccc1[O-])CC2 ZINC000372621920 466511197 /nfs/dbraw/zinc/51/11/97/466511197.db2.gz SXPHPUQSHYMKKZ-AWEZNQCLSA-N 0 3 342.443 2.079 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000363847035 466636059 /nfs/dbraw/zinc/63/60/59/466636059.db2.gz DCBMRFGEUQQYAL-LXIYXOSZSA-N 0 3 331.416 2.072 20 10 EECDHN C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)N(C)C1CC1 ZINC000105206798 533970850 /nfs/dbraw/zinc/97/08/50/533970850.db2.gz AFOMDNBHUZIODJ-AWEZNQCLSA-N 0 3 330.476 2.351 20 10 EECDHN C[C@@H](O)C[C@@H]1CCCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298384926 525818583 /nfs/dbraw/zinc/81/85/83/525818583.db2.gz DLOWYSBRAQIFLU-APWZRJJASA-N 0 3 347.503 2.384 20 10 EECDHN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774487293 577400925 /nfs/dbraw/zinc/40/09/25/577400925.db2.gz YXQPXSYGGDPQFZ-KBPBESRZSA-N 0 3 334.464 2.274 20 10 EECDHN Cc1csc(=O)n1CCN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256972 577433796 /nfs/dbraw/zinc/43/37/96/577433796.db2.gz BNJYQHIZEVIGLJ-HNNXBMFYSA-N 0 3 347.484 2.406 20 10 EECDHN CCOC(=O)[C@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775642360 577441604 /nfs/dbraw/zinc/44/16/04/577441604.db2.gz FURTYPUTAVIRSY-LJQANCHMSA-N 0 3 345.487 2.356 20 10 EECDHN CN1CCN(c2ccc(CN3CCN(C4CCCC4)CC3)cc2)CC1 ZINC000775647799 577441816 /nfs/dbraw/zinc/44/18/16/577441816.db2.gz AEOUXVYMCWJEKF-UHFFFAOYSA-N 0 3 342.531 2.499 20 10 EECDHN CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775727449 577444017 /nfs/dbraw/zinc/44/40/17/577444017.db2.gz RRFSLOZTZLYEAN-INIZCTEOSA-N 0 3 333.476 2.210 20 10 EECDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000769432573 577577870 /nfs/dbraw/zinc/57/78/70/577577870.db2.gz HPFVNVHETGSVMH-QGZVFWFLSA-N 0 3 331.416 2.080 20 10 EECDHN COc1cccc(O)c1CN1CCCN(c2nc(C)ns2)CC1 ZINC000769505261 577579428 /nfs/dbraw/zinc/57/94/28/577579428.db2.gz ARDQQUCKPRKPBR-UHFFFAOYSA-N 0 3 334.445 2.273 20 10 EECDHN C[C@](O)(CNCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000760452532 577663118 /nfs/dbraw/zinc/66/31/18/577663118.db2.gz YPMHECZEDBWHLH-AWEZNQCLSA-N 0 3 336.329 2.065 20 10 EECDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(OC)CCOC2)c1[O-] ZINC000763481414 577721771 /nfs/dbraw/zinc/72/17/71/577721771.db2.gz UAODMKSAZIBSIC-AWEZNQCLSA-N 0 3 346.221 2.058 20 10 EECDHN Cc1cc(C)c(O)c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1 ZINC000754731807 577811641 /nfs/dbraw/zinc/81/16/41/577811641.db2.gz HSMVJKWFVOOULG-UHFFFAOYSA-N 0 3 339.439 2.430 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c2c1c(F)ccc2[O-] ZINC000756788431 577850227 /nfs/dbraw/zinc/85/02/27/577850227.db2.gz ULRGYDHCWYKOHN-ZSEWYUTFSA-N 0 3 336.407 2.305 20 10 EECDHN Cc1cc(O)c(CNCCNS(=O)(=O)Cc2ccccc2)cc1C ZINC000742368202 577871867 /nfs/dbraw/zinc/87/18/67/577871867.db2.gz YXOJUEZVAGFSBR-UHFFFAOYSA-N 0 3 348.468 2.218 20 10 EECDHN CCCn1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891249562 676244454 /nfs/dbraw/zinc/24/44/54/676244454.db2.gz USFKSGCPJHSVEM-SFHVURJKSA-N 0 3 343.475 2.392 20 10 EECDHN CCOC(=O)[C@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250522 676245367 /nfs/dbraw/zinc/24/53/67/676245367.db2.gz WNJWNTXLAJDLBD-IAGOWNOFSA-N 0 3 349.475 2.061 20 10 EECDHN C[C@@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)n1cccn1 ZINC000891250628 676245415 /nfs/dbraw/zinc/24/54/15/676245415.db2.gz YRXUAQRXLBCDOW-MAUKXSAKSA-N 0 3 343.475 2.319 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(CO)cc2)N(C)C)cc1 ZINC000891258592 676253400 /nfs/dbraw/zinc/25/34/00/676253400.db2.gz VTFJNFSQQFUNFW-LJQANCHMSA-N 0 3 341.455 2.278 20 10 EECDHN COc1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)c(O)c1OC ZINC000891949518 677732415 /nfs/dbraw/zinc/73/24/15/677732415.db2.gz UCUKXIRTUPZIOK-HNNXBMFYSA-N 0 3 348.443 2.386 20 10 EECDHN C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895332483 684502491 /nfs/dbraw/zinc/50/24/91/684502491.db2.gz WIMNEZRNLCQNOW-XLIONFOSSA-N 0 3 343.423 2.289 20 10 EECDHN C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895332483 684502495 /nfs/dbraw/zinc/50/24/95/684502495.db2.gz WIMNEZRNLCQNOW-XLIONFOSSA-N 0 3 343.423 2.289 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1[O-] ZINC000895748904 684707609 /nfs/dbraw/zinc/70/76/09/684707609.db2.gz OLHHYPIAJNDJPH-UONOGXRCSA-N 0 3 344.249 2.483 20 10 EECDHN NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000897058450 686085501 /nfs/dbraw/zinc/08/55/01/686085501.db2.gz PBOVACKGQUGYKW-CQSZACIVSA-N 0 3 346.452 2.170 20 10 EECDHN NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000897058450 686085505 /nfs/dbraw/zinc/08/55/05/686085505.db2.gz PBOVACKGQUGYKW-CQSZACIVSA-N 0 3 346.452 2.170 20 10 EECDHN O=C(N1CCOCC1)C1(NCc2ccc3c(c2)CCO3)CCCCC1 ZINC000897893765 691814937 /nfs/dbraw/zinc/81/49/37/691814937.db2.gz ZHZFITYBYMWDCA-UHFFFAOYSA-N 0 3 344.455 2.273 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@]2(C)CCCOC2)N(C)C)cc1 ZINC000899104969 693607524 /nfs/dbraw/zinc/60/75/24/693607524.db2.gz UGSSSSSBBLKTMY-HKUYNNGSSA-N 0 3 348.491 2.224 20 10 EECDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H](O)C(F)(F)F ZINC000877126909 1199866203 /nfs/dbraw/zinc/86/62/03/1199866203.db2.gz WCBNASHDRQAXAO-HOTGVXAUSA-N 0 3 346.393 2.439 20 10 EECDHN CCOC1CC(C[NH2+]Cc2ccc(C)cc2[O-])(N2CCOCC2)C1 ZINC000877480250 1199942942 /nfs/dbraw/zinc/94/29/42/1199942942.db2.gz PAFGHMUFZZEPKP-UHFFFAOYSA-N 0 3 334.460 2.060 20 10 EECDHN CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC001274302151 1204990152 /nfs/dbraw/zinc/99/01/52/1204990152.db2.gz WQJUTPDVCKSLPG-KRWDZBQOSA-N 0 3 346.471 2.455 20 10 EECDHN C[C@H]1CN(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000248658660 1214894177 /nfs/dbraw/zinc/89/41/77/1214894177.db2.gz UMTRSUQFOUIYOS-FUHWJXTLSA-N 0 3 334.460 2.094 20 10 EECDHN C[C@H]1CN(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000248658660 1214894182 /nfs/dbraw/zinc/89/41/82/1214894182.db2.gz UMTRSUQFOUIYOS-FUHWJXTLSA-N 0 3 334.460 2.094 20 10 EECDHN C[C@@H]1CN(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000248658662 1214894389 /nfs/dbraw/zinc/89/43/89/1214894389.db2.gz UMTRSUQFOUIYOS-SJLPKXTDSA-N 0 3 334.460 2.094 20 10 EECDHN C[C@@H]1CN(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCO1 ZINC000248658662 1214894392 /nfs/dbraw/zinc/89/43/92/1214894392.db2.gz UMTRSUQFOUIYOS-SJLPKXTDSA-N 0 3 334.460 2.094 20 10 EECDHN CN(C)c1ccc([C@@H](CN[C@H](C(N)=O)c2ccccc2)N(C)C)cc1 ZINC000901706293 1236188748 /nfs/dbraw/zinc/18/87/48/1236188748.db2.gz KIVQCUXFQMADCB-MOPGFXCFSA-N 0 3 340.471 2.172 20 10 EECDHN C/C(=C/C(=O)N1C[C@H](CN(C)C)Oc2ccccc21)c1cnccn1 ZINC000827096743 1249874366 /nfs/dbraw/zinc/87/43/66/1249874366.db2.gz ZWAAYSYFYMRPKG-LTBFUDJGSA-N 0 3 338.411 2.236 20 10 EECDHN COC(=O)c1cc(CNCc2ccc(N3CCC(O)CC3)cc2)c[nH]1 ZINC000850405954 1277215678 /nfs/dbraw/zinc/21/56/78/1277215678.db2.gz LRMRDUYHRQLETB-UHFFFAOYSA-N 0 3 343.427 2.052 20 10 EECDHN COc1ccc(N(C)CCN(C)C(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000851641861 1277697358 /nfs/dbraw/zinc/69/73/58/1277697358.db2.gz QGMPJVPPWXCMDS-UHFFFAOYSA-N 0 3 331.460 2.251 20 10 EECDHN CC[C@H](C)N1CC[C@]2(CCCN2Cc2cc(OC)c(O)cc2O)C1=O ZINC001273787786 1285864147 /nfs/dbraw/zinc/86/41/47/1285864147.db2.gz DYOSKOFSFKUTCI-ORAYPTAESA-N 0 3 348.443 2.472 20 10 EECDHN O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2)N1CC=CC1 ZINC001277196512 1301766824 /nfs/dbraw/zinc/76/68/24/1301766824.db2.gz JGMUWTSPNZJYGN-FXAWDEMLSA-N 0 3 342.439 2.488 20 10 EECDHN O=C([C@@H]1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2)N1CC=CC1 ZINC001277196512 1301766829 /nfs/dbraw/zinc/76/68/29/1301766829.db2.gz JGMUWTSPNZJYGN-FXAWDEMLSA-N 0 3 342.439 2.488 20 10 EECDHN O=C1COCC2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)N1 ZINC001231586208 1303855642 /nfs/dbraw/zinc/85/56/42/1303855642.db2.gz DMGDQICZMHDNOT-UHFFFAOYSA-N 0 3 326.396 2.026 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3C[C@H](C)O[C@@H](C)C3)C2)c([O-])c1 ZINC001277567911 1303921448 /nfs/dbraw/zinc/92/14/48/1303921448.db2.gz JBNPNNLESCTCBM-JTWUUNPKSA-N 0 3 344.455 2.158 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3C[C@H](C)O[C@@H](C)C3)C2)c([O-])c1 ZINC001277567911 1303921453 /nfs/dbraw/zinc/92/14/53/1303921453.db2.gz JBNPNNLESCTCBM-JTWUUNPKSA-N 0 3 344.455 2.158 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC3(C=C(C(N)=O)CC3)CC2)c(OC)c1 ZINC001277588769 1303950674 /nfs/dbraw/zinc/95/06/74/1303950674.db2.gz PNMBFKRCFYTFKG-UHFFFAOYSA-N 0 3 346.427 2.197 20 10 EECDHN CCN1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203790 1304037839 /nfs/dbraw/zinc/03/78/39/1304037839.db2.gz HMBPHAIFYTYADR-HOTGVXAUSA-N 0 3 335.879 2.455 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC001237062181 1305783475 /nfs/dbraw/zinc/78/34/75/1305783475.db2.gz KWULSGMRUSYTHY-JTQLQIEISA-N 0 3 329.238 2.299 20 10 EECDHN CC1(C(N)=O)CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237121885 1305804737 /nfs/dbraw/zinc/80/47/37/1305804737.db2.gz BQLBDIOASXTUNW-UHFFFAOYSA-N 0 3 332.322 2.378 20 10 EECDHN COc1cc(CN2CCC[C@H](Oc3cnccn3)C2)c(O)c(OC)c1 ZINC001237686423 1306048533 /nfs/dbraw/zinc/04/85/33/1306048533.db2.gz ZCYBUEZVIOUOJS-AWEZNQCLSA-N 0 3 345.399 2.243 20 10 EECDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1[O-] ZINC001238061545 1306204201 /nfs/dbraw/zinc/20/42/01/1306204201.db2.gz OGAUQOLSUVDOFP-GOSISDBHSA-N 0 3 328.391 2.485 20 10 EECDHN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1[O-] ZINC001238061545 1306204206 /nfs/dbraw/zinc/20/42/06/1306204206.db2.gz OGAUQOLSUVDOFP-GOSISDBHSA-N 0 3 328.391 2.485 20 10 EECDHN O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2)N1CC=CC1 ZINC001278257380 1308923467 /nfs/dbraw/zinc/92/34/67/1308923467.db2.gz UVDZGCPRPCUOKB-ZSBFGKGUSA-N 0 3 330.403 2.388 20 10 EECDHN O=C([C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2)N1CC=CC1 ZINC001278257380 1308923471 /nfs/dbraw/zinc/92/34/71/1308923471.db2.gz UVDZGCPRPCUOKB-ZSBFGKGUSA-N 0 3 330.403 2.388 20 10 EECDHN CC[C@@]1(C(=O)OC)C[C@@H](NCc2ccc(N3CCCCC3)cc2)CN1 ZINC001246171430 1310252280 /nfs/dbraw/zinc/25/22/80/1310252280.db2.gz VUGDCBMXSPQDKI-XLIONFOSSA-N 0 3 345.487 2.450 20 10 EECDHN COC(=O)[C@H](C(C)C)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139410885 1314741124 /nfs/dbraw/zinc/74/11/24/1314741124.db2.gz KEDSXFATTDOFGH-SFHVURJKSA-N 0 3 333.476 2.068 20 10 EECDHN O=C(NCCC[NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(O)c1 ZINC000834555324 1314849218 /nfs/dbraw/zinc/84/92/18/1314849218.db2.gz RFIXCPHYLFJJJF-INIZCTEOSA-N 0 3 326.396 2.495 20 10 EECDHN CCN1CCN(c2ccc(CN3CCOCC(F)(F)C3)cc2)CC1 ZINC001140299654 1314858265 /nfs/dbraw/zinc/85/82/65/1314858265.db2.gz DLYKFNRQWCWMEM-UHFFFAOYSA-N 0 3 339.430 2.296 20 10 EECDHN CCN1CCN(c2ccc(CN3CCc4ncn(C)c4C3)cc2)CC1 ZINC001140309291 1314864549 /nfs/dbraw/zinc/86/45/49/1314864549.db2.gz AGSHPYAAPJFYFY-UHFFFAOYSA-N 0 3 339.487 2.120 20 10 EECDHN [NH3+]C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC12CCOCC2 ZINC000843125360 1315849385 /nfs/dbraw/zinc/84/93/85/1315849385.db2.gz TXFQAPVKOOLOQB-NSHDSACASA-N 0 3 328.815 2.372 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001249201305 1317021458 /nfs/dbraw/zinc/02/14/58/1317021458.db2.gz NKRBUSZQKOULFI-OAHLLOKOSA-N 0 3 326.396 2.492 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001249201305 1317021467 /nfs/dbraw/zinc/02/14/67/1317021467.db2.gz NKRBUSZQKOULFI-OAHLLOKOSA-N 0 3 326.396 2.492 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+](C)CCOC)c([O-])c1 ZINC001249724614 1317158627 /nfs/dbraw/zinc/15/86/27/1317158627.db2.gz JORAXYHZJMAEDI-UHFFFAOYSA-N 0 3 325.405 2.193 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+](C)CCOC)c([O-])c1 ZINC001249724614 1317158632 /nfs/dbraw/zinc/15/86/32/1317158632.db2.gz JORAXYHZJMAEDI-UHFFFAOYSA-N 0 3 325.405 2.193 20 10 EECDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])CC1=O ZINC001254238111 1318022459 /nfs/dbraw/zinc/02/24/59/1318022459.db2.gz SEKSEXKOMIQMRZ-GFCCVEGCSA-N 0 3 336.388 2.114 20 10 EECDHN CCN(C)c1ccnc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156652660 1318139316 /nfs/dbraw/zinc/13/93/16/1318139316.db2.gz YNCMVOKIUAGNOG-UHFFFAOYSA-N 0 3 340.475 2.297 20 10 EECDHN O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N1CCc2cccc(O)c2C1 ZINC001160872096 1320298725 /nfs/dbraw/zinc/29/87/25/1320298725.db2.gz HLJYZYOSTRGZJJ-AAEUAGOBSA-N 0 3 328.334 2.207 20 10 EECDHN COc1cccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC001203599601 1321920490 /nfs/dbraw/zinc/92/04/90/1321920490.db2.gz JLJCKMNHLZVYOW-KGLIPLIRSA-N 0 3 334.416 2.452 20 10 EECDHN O=C1C[C@@]2(CCN(Cc3ccc(O)c(O)c3)C2)CN1c1ccccn1 ZINC001203879407 1321981064 /nfs/dbraw/zinc/98/10/64/1321981064.db2.gz PQZVJTLBDGKIPV-LJQANCHMSA-N 0 3 339.395 2.122 20 10 EECDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])C[C@H]1c1ccccc1 ZINC001204281770 1322102816 /nfs/dbraw/zinc/10/28/16/1322102816.db2.gz IQXFQCNQGIVUMU-DLBZAZTESA-N 0 3 327.380 2.486 20 10 EECDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])C[C@H]1c1ccccc1 ZINC001204281770 1322102830 /nfs/dbraw/zinc/10/28/30/1322102830.db2.gz IQXFQCNQGIVUMU-DLBZAZTESA-N 0 3 327.380 2.486 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCOCC2)N(C)C)cc1 ZINC001262369564 1322289866 /nfs/dbraw/zinc/28/98/66/1322289866.db2.gz IQCILDSOMRFMBU-WMZOPIPTSA-N 0 3 348.491 2.224 20 10 EECDHN Cc1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 ZINC001308217873 1331574094 /nfs/dbraw/zinc/57/40/94/1331574094.db2.gz NOERUJGEXJNZJC-SFHVURJKSA-N 0 3 338.455 2.382 20 10 EECDHN CCOc1ccc(N2CCN(C(=O)CN3CCC(C)CC3)CC2)cc1 ZINC001319626290 1332730389 /nfs/dbraw/zinc/73/03/89/1332730389.db2.gz ULEDJDFQZWIJTJ-UHFFFAOYSA-N 0 3 345.487 2.466 20 10 EECDHN COc1cccc(O)c1CN1CCCN(Cc2cc(C)on2)CC1 ZINC001320494843 1332897221 /nfs/dbraw/zinc/89/72/21/1332897221.db2.gz ZZDZOYBSPMWGMZ-UHFFFAOYSA-N 0 3 331.416 2.405 20 10 EECDHN CC[C@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Br)ccc1[O-] ZINC000717428979 1369669652 /nfs/dbraw/zinc/66/96/52/1369669652.db2.gz WYGZQRGVIXDJDZ-AAEUAGOBSA-N 0 3 331.254 2.118 20 10 EECDHN CCN1CC[C@@]2(CCC[N@H+](Cc3c([O-])cc(OC)cc3OC)C2)C1=O ZINC001141026865 1372742445 /nfs/dbraw/zinc/74/24/45/1372742445.db2.gz GKXGKGBVSHIXNU-LJQANCHMSA-N 0 3 348.443 2.244 20 10 EECDHN CCN1CC[C@@]2(CCC[N@@H+](Cc3c([O-])cc(OC)cc3OC)C2)C1=O ZINC001141026865 1372742450 /nfs/dbraw/zinc/74/24/50/1372742450.db2.gz GKXGKGBVSHIXNU-LJQANCHMSA-N 0 3 348.443 2.244 20 10 EECDHN CN(C(=O)c1cccc2c1CCNC2)c1cccc(S(C)(=O)=O)c1 ZINC001578391555 1403745659 /nfs/dbraw/zinc/74/56/59/1403745659.db2.gz BSVNDIGJYUGBMT-UHFFFAOYSA-N 0 3 344.436 2.012 20 10 EECDHN C[C@@H]1CCCN1CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089864277 782409269 /nfs/dbraw/zinc/40/92/69/782409269.db2.gz WNHNFGHQTGFPLC-OAHLLOKOSA-N 0 3 346.450 2.348 20 10 EECDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183460940 780987439 /nfs/dbraw/zinc/98/74/39/780987439.db2.gz HXCBKFLQFKOBSZ-AWEZNQCLSA-N 0 3 334.441 2.330 20 10 EECDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)n1-c1ccccc1C ZINC000818008041 785163403 /nfs/dbraw/zinc/16/34/03/785163403.db2.gz NZCCSBIYBXHTML-MRXNPFEDSA-N 0 3 327.428 2.121 20 10 EECDHN COc1ccc(N2CCN(CCNCc3ccncc3F)CC2)cc1 ZINC000823716492 787902233 /nfs/dbraw/zinc/90/22/33/787902233.db2.gz HANCQJQZZZYBCS-UHFFFAOYSA-N 0 3 344.434 2.141 20 10 EECDHN CO[C@H](C)CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068220 792064986 /nfs/dbraw/zinc/06/49/86/792064986.db2.gz STVSDEHQCYNUHF-JMSVASOKSA-N 0 3 347.419 2.077 20 10 EECDHN CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032809162 796597801 /nfs/dbraw/zinc/59/78/01/796597801.db2.gz CTJWQEZCVMQYNX-GJZGRUSLSA-N 0 3 329.404 2.404 20 10 EECDHN COC(=O)N1CCC(N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001172736657 797075324 /nfs/dbraw/zinc/07/53/24/797075324.db2.gz PDVRSHCPIMRHQH-UHFFFAOYSA-N 0 3 333.432 2.048 20 10 EECDHN CCOC(=O)[C@@H](C)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000787442895 807121352 /nfs/dbraw/zinc/12/13/52/807121352.db2.gz XNYPDNGROPEKBX-MRXNPFEDSA-N 0 3 345.487 2.354 20 10 EECDHN COc1ccc(CNC(=O)NCCN(C)Cc2ccccc2)c(O)c1 ZINC000792841162 810041703 /nfs/dbraw/zinc/04/17/03/810041703.db2.gz JYHYGOOQHBSXIM-UHFFFAOYSA-N 0 3 343.427 2.332 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)C[C@@H]2CCCOC2)cc1 ZINC000107800175 529779871 /nfs/dbraw/zinc/77/98/71/529779871.db2.gz ORPNDIPGBGEXOK-KRWDZBQOSA-N 0 3 333.476 2.069 20 10 EECDHN CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1CCN(C)CC1 ZINC000108763433 237123023 /nfs/dbraw/zinc/12/30/23/237123023.db2.gz DHPAITCFPVSZIL-VMPITWQZSA-N 0 3 343.471 2.089 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1OC ZINC000158868043 463257146 /nfs/dbraw/zinc/25/71/46/463257146.db2.gz DXNVXCDMPVVDFR-CQSZACIVSA-N 0 3 348.443 2.148 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1OC ZINC000158868043 463257151 /nfs/dbraw/zinc/25/71/51/463257151.db2.gz DXNVXCDMPVVDFR-CQSZACIVSA-N 0 3 348.443 2.148 20 10 EECDHN CC[C@@H](N[C@@H](CC)C(=O)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000165109728 463638731 /nfs/dbraw/zinc/63/87/31/463638731.db2.gz PIZQXQYDZKECKR-MSOLQXFVSA-N 0 3 333.476 2.431 20 10 EECDHN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(F)ccc2[O-])cc1O ZINC000289514093 464082697 /nfs/dbraw/zinc/08/26/97/464082697.db2.gz UXZIYOWPWLNZBR-CYBMUJFWSA-N 0 3 335.375 2.186 20 10 EECDHN CCOc1ccnc(N2CCC[N@H+](Cc3ccccc3[O-])CC2)n1 ZINC000179586092 464160637 /nfs/dbraw/zinc/16/06/37/464160637.db2.gz GQABBNXSPUSRTQ-UHFFFAOYSA-N 0 3 328.416 2.293 20 10 EECDHN CCOc1ccnc(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)n1 ZINC000179586092 464160645 /nfs/dbraw/zinc/16/06/45/464160645.db2.gz GQABBNXSPUSRTQ-UHFFFAOYSA-N 0 3 328.416 2.293 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284757316 464324496 /nfs/dbraw/zinc/32/44/96/464324496.db2.gz LVEQTGABSQWLIF-RBUKOAKNSA-N 0 3 345.487 2.354 20 10 EECDHN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000271596129 464339384 /nfs/dbraw/zinc/33/93/84/464339384.db2.gz YWXALHSDENEQFK-WFASDCNBSA-N 0 3 332.366 2.487 20 10 EECDHN COc1cccc(OC)c1OC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000264578192 464381610 /nfs/dbraw/zinc/38/16/10/464381610.db2.gz BNCNFCSIVOEGIT-HNNXBMFYSA-N 0 3 347.411 2.281 20 10 EECDHN COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000264578192 464381617 /nfs/dbraw/zinc/38/16/17/464381617.db2.gz BNCNFCSIVOEGIT-HNNXBMFYSA-N 0 3 347.411 2.281 20 10 EECDHN Cc1cc(Br)cc(CN2CCC(C(N)=O)CC2)c1O ZINC000183467824 464867566 /nfs/dbraw/zinc/86/75/66/464867566.db2.gz UPIYJLUGGBTJHU-UHFFFAOYSA-N 0 3 327.222 2.160 20 10 EECDHN CCO[C@@H]1C[C@H](NCC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000295853923 464987462 /nfs/dbraw/zinc/98/74/62/464987462.db2.gz DLYZPUZVAVIJJD-ZWKOTPCHSA-N 0 3 345.487 2.306 20 10 EECDHN COc1cc(Cl)cc(CN2CCC[C@H](CNC(C)=O)C2)c1O ZINC000184670371 465015780 /nfs/dbraw/zinc/01/57/80/465015780.db2.gz KELIDCOAQRAMBU-GFCCVEGCSA-N 0 3 326.824 2.402 20 10 EECDHN [O-]c1ccccc1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000377786409 467140142 /nfs/dbraw/zinc/14/01/42/467140142.db2.gz UVZPCWWLHYZTJD-MOPGFXCFSA-N 0 3 326.440 2.365 20 10 EECDHN CCN(C)c1ccc([C@H](C)NC[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000090799434 527869378 /nfs/dbraw/zinc/86/93/78/527869378.db2.gz SHQFLGCKVBOUFO-WMLDXEAASA-N 0 3 339.505 2.217 20 10 EECDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC(=O)c2cccs2)c1 ZINC000775371026 577436044 /nfs/dbraw/zinc/43/60/44/577436044.db2.gz LIKDSNYEKKUSLW-NSHDSACASA-N 0 3 348.424 2.112 20 10 EECDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776252087 577455660 /nfs/dbraw/zinc/45/56/60/577455660.db2.gz GUMRUTUKRKMLJZ-OLZOCXBDSA-N 0 3 341.249 2.467 20 10 EECDHN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437613 577555489 /nfs/dbraw/zinc/55/54/89/577555489.db2.gz BGHVSHGNVZBGMF-INIZCTEOSA-N 0 3 343.379 2.221 20 10 EECDHN C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437613 577555490 /nfs/dbraw/zinc/55/54/90/577555490.db2.gz BGHVSHGNVZBGMF-INIZCTEOSA-N 0 3 343.379 2.221 20 10 EECDHN CCOc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c([O-])c1 ZINC000769499123 577579273 /nfs/dbraw/zinc/57/92/73/577579273.db2.gz XMLDGVOBNYOMQB-UHFFFAOYSA-N 0 3 333.432 2.171 20 10 EECDHN CCOc1ccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c([O-])c1 ZINC000757941505 577866924 /nfs/dbraw/zinc/86/69/24/577866924.db2.gz FUPOFSWKXGCIKG-UHFFFAOYSA-N 0 3 326.396 2.367 20 10 EECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000741139245 578113211 /nfs/dbraw/zinc/11/32/11/578113211.db2.gz JHYINQSHIXHFTR-IAGOWNOFSA-N 0 3 345.487 2.354 20 10 EECDHN CCn1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891248273 676243282 /nfs/dbraw/zinc/24/32/82/676243282.db2.gz XIIHXSSRLZVRTD-SFHVURJKSA-N 0 3 343.475 2.310 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1F ZINC000892485771 680089062 /nfs/dbraw/zinc/08/90/62/680089062.db2.gz NJUKKASBZCXXCP-IRXDYDNUSA-N 0 3 334.439 2.270 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NOC/C=C\Cl)N(C)C)cc1 ZINC000894991365 683453567 /nfs/dbraw/zinc/45/35/67/683453567.db2.gz NUVPBHWOASLLSZ-WSVPDTOYSA-N 0 3 340.855 2.339 20 10 EECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC[C@@H]1CCCO1 ZINC000237217623 683903343 /nfs/dbraw/zinc/90/33/43/683903343.db2.gz IBCYODYDAYGTRW-IBGZPJMESA-N 0 3 345.487 2.404 20 10 EECDHN CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)N(C)C ZINC000123513157 684798535 /nfs/dbraw/zinc/79/85/35/684798535.db2.gz VLSHEWCMPBBOQE-QAPCUYQASA-N 0 3 333.476 2.287 20 10 EECDHN Cc1ccc(C[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000897695257 691744293 /nfs/dbraw/zinc/74/42/93/691744293.db2.gz CQCHNCXFSMIXLG-GOSISDBHSA-N 0 3 336.432 2.162 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccon2)N(C)C)cc1 ZINC000899102190 693606235 /nfs/dbraw/zinc/60/62/35/693606235.db2.gz NVAYVADOHRJENJ-KRWDZBQOSA-N 0 3 345.447 2.185 20 10 EECDHN O[C@@H]([C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000123698028 1197786109 /nfs/dbraw/zinc/78/61/09/1197786109.db2.gz REIRCTRNRLXKDF-HOTGVXAUSA-N 0 3 344.377 2.411 20 10 EECDHN CCOCCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876578386 1199678398 /nfs/dbraw/zinc/67/83/98/1199678398.db2.gz KTUUCXFLZHVASF-UHFFFAOYSA-N 0 3 334.460 2.455 20 10 EECDHN COc1ccc(N2CCN(CCCNCc3ncc(C)o3)CC2)cc1 ZINC000876900938 1199813445 /nfs/dbraw/zinc/81/34/45/1199813445.db2.gz URPWHNPPJPPZOT-UHFFFAOYSA-N 0 3 344.459 2.294 20 10 EECDHN CN1CCC(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000826076389 1200711999 /nfs/dbraw/zinc/71/19/99/1200711999.db2.gz YVBYPUBKIHQHOI-UHFFFAOYSA-N 0 3 330.457 2.140 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@]2(CCCN2Cc2c(C)cccc2O)C1=O ZINC001274301510 1204990030 /nfs/dbraw/zinc/99/00/30/1204990030.db2.gz QVALTEDAANSDOR-AUUYWEPGSA-N 0 3 330.428 2.245 20 10 EECDHN CN(C)c1ccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000078483706 1210263288 /nfs/dbraw/zinc/26/32/88/1210263288.db2.gz NXZLAMIHEBEZQI-UHFFFAOYSA-N 0 3 347.484 2.293 20 10 EECDHN CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3c([O-])cccc3F)(C1)CCC2 ZINC001276354301 1213898723 /nfs/dbraw/zinc/89/87/23/1213898723.db2.gz PWEXVPVQUQNUIA-MOPGFXCFSA-N 0 3 349.450 2.144 20 10 EECDHN CN(CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)Cc1ccco1 ZINC000795750425 1215032881 /nfs/dbraw/zinc/03/28/81/1215032881.db2.gz DBTUDLGPBZZIOL-SFHVURJKSA-N 0 3 346.427 2.365 20 10 EECDHN CN(CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)Cc1ccco1 ZINC000795750425 1215032883 /nfs/dbraw/zinc/03/28/83/1215032883.db2.gz DBTUDLGPBZZIOL-SFHVURJKSA-N 0 3 346.427 2.365 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)[C@H]3CCCCN3C2=O)N(C)C)cc1 ZINC000900185685 1234073712 /nfs/dbraw/zinc/07/37/12/1234073712.db2.gz QYERRTKFKWYFBT-SJORKVTESA-N 0 3 344.459 2.172 20 10 EECDHN COc1ccc(N2C[C@@H](NCc3c(O)cccc3OC)CC2=O)cc1 ZINC000850359212 1277197228 /nfs/dbraw/zinc/19/72/28/1277197228.db2.gz ADEXUYIJZXVZIT-ZDUSSCGKSA-N 0 3 342.395 2.305 20 10 EECDHN COc1ccc(N2C[C@@H]([NH2+]Cc3c([O-])cccc3OC)CC2=O)cc1 ZINC000850359212 1277197272 /nfs/dbraw/zinc/19/72/72/1277197272.db2.gz ADEXUYIJZXVZIT-ZDUSSCGKSA-N 0 3 342.395 2.305 20 10 EECDHN CCCCNC(=O)[C@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001273842199 1286682343 /nfs/dbraw/zinc/68/23/43/1286682343.db2.gz AYYPWDZRKYCNQX-CQSZACIVSA-N 0 3 348.443 2.322 20 10 EECDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCCO1 ZINC001234568765 1304972926 /nfs/dbraw/zinc/97/29/26/1304972926.db2.gz CGHKFOZKKZVGPX-GOSISDBHSA-N 0 3 345.395 2.318 20 10 EECDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCCO1 ZINC001234568765 1304972932 /nfs/dbraw/zinc/97/29/32/1304972932.db2.gz CGHKFOZKKZVGPX-GOSISDBHSA-N 0 3 345.395 2.318 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)cccc21 ZINC001218442172 1297664576 /nfs/dbraw/zinc/66/45/76/1297664576.db2.gz NVXSWCSRSXBLGH-REWMRKHYSA-N 0 3 335.359 2.297 20 10 EECDHN Nc1ccc2c(c1NC(=O)[C@@H]1CCCCN1)C(=O)c1ccccc1C2=O ZINC001219002095 1297902232 /nfs/dbraw/zinc/90/22/32/1297902232.db2.gz KXDBRVKLMWQKSG-HNNXBMFYSA-N 0 3 349.390 2.125 20 10 EECDHN CCc1ccc(CN2CC3(CN(Cc4cc(C)nn4C)C3)C2)c(O)c1 ZINC001276805615 1298043411 /nfs/dbraw/zinc/04/34/11/1298043411.db2.gz YVIDQMFWKWPKHT-UHFFFAOYSA-N 0 3 340.471 2.314 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001276814669 1298466105 /nfs/dbraw/zinc/46/61/05/1298466105.db2.gz KAGWOHTVEYOXAN-WMLDXEAASA-N 0 3 347.459 2.415 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001276814669 1298466108 /nfs/dbraw/zinc/46/61/08/1298466108.db2.gz KAGWOHTVEYOXAN-WMLDXEAASA-N 0 3 347.459 2.415 20 10 EECDHN Cn1ccnc1NC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277440867 1303026445 /nfs/dbraw/zinc/02/64/45/1303026445.db2.gz GLQQDIDIQQLLRP-HNNXBMFYSA-N 0 3 340.427 2.367 20 10 EECDHN CCN1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)C[C@H]1C ZINC001232409577 1304111120 /nfs/dbraw/zinc/11/11/20/1304111120.db2.gz FTUIYTUSQNPOLT-CQSZACIVSA-N 0 3 329.444 2.491 20 10 EECDHN COc1cc(Cl)cc(CN2CCC3(CNC(=O)O3)CC2)c1O ZINC000783721712 1304337514 /nfs/dbraw/zinc/33/75/14/1304337514.db2.gz KSVNEDBWOFTZGL-UHFFFAOYSA-N 0 3 326.780 2.129 20 10 EECDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000799724815 1305392683 /nfs/dbraw/zinc/39/26/83/1305392683.db2.gz AKXWPAQQTBUNDZ-LBPRGKRZSA-N 0 3 327.419 2.347 20 10 EECDHN COC(=O)[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C[C@@H]1[NH3+] ZINC001236364548 1305569658 /nfs/dbraw/zinc/56/96/58/1305569658.db2.gz YLMMEOHPUJXSOM-FZMZJTMJSA-N 0 3 340.851 2.275 20 10 EECDHN CCO[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)[C@@H]2CCCO[C@H]12 ZINC001236750921 1305658256 /nfs/dbraw/zinc/65/82/56/1305658256.db2.gz LELLYDSPWWPIRS-XWIAVFTESA-N 0 3 337.416 2.178 20 10 EECDHN COc1cc(C[N@H+](C)CCC(=O)N(C)C)c([O-])cc1Br ZINC001236755868 1305660734 /nfs/dbraw/zinc/66/07/34/1305660734.db2.gz GUSFJZBKUGILIC-UHFFFAOYSA-N 0 3 345.237 2.073 20 10 EECDHN COc1cc(C[N@@H+](C)CCC(=O)N(C)C)c([O-])cc1Br ZINC001236755868 1305660741 /nfs/dbraw/zinc/66/07/41/1305660741.db2.gz GUSFJZBKUGILIC-UHFFFAOYSA-N 0 3 345.237 2.073 20 10 EECDHN CCCN1CCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001236772095 1305669664 /nfs/dbraw/zinc/66/96/64/1305669664.db2.gz YAXFZQYHFNXMIB-UHFFFAOYSA-N 0 3 329.238 2.388 20 10 EECDHN CC(C)N1CCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001236773992 1305672358 /nfs/dbraw/zinc/67/23/58/1305672358.db2.gz WPYGTJHHLSKYDA-UHFFFAOYSA-N 0 3 329.238 2.386 20 10 EECDHN COc1cc(C)c(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001236810151 1305684910 /nfs/dbraw/zinc/68/49/10/1305684910.db2.gz VNSCHWACBYPFLY-HUUCEWRRSA-N 0 3 340.427 2.067 20 10 EECDHN COCn1ncc(C)c1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001117656411 1306140767 /nfs/dbraw/zinc/14/07/67/1306140767.db2.gz LIGHYAFZMCQBIS-MRXNPFEDSA-N 0 3 344.459 2.483 20 10 EECDHN Cc1ccc(C)c(CN2CC[C@H](C(=O)N(C)C)n3nccc3C2)c1O ZINC001278356833 1309748605 /nfs/dbraw/zinc/74/86/05/1309748605.db2.gz COSQZLCDQLBSSR-QGZVFWFLSA-N 0 3 342.443 2.241 20 10 EECDHN CCN(Cc1ccc(N(C)C)cc1)[C@H]1CN[C@](CC)(C(=O)OC)C1 ZINC001246917436 1310466289 /nfs/dbraw/zinc/46/62/89/1310466289.db2.gz CULKEOMSFFGYLA-MJGOQNOKSA-N 0 3 333.476 2.258 20 10 EECDHN O=C([C@H]1NCCC[C@H]1C(F)(F)F)N1CCc2cccc(O)c2C1 ZINC001160872631 1320300174 /nfs/dbraw/zinc/30/01/74/1320300174.db2.gz NJRCZRILHVQCIL-OCCSQVGLSA-N 0 3 328.334 2.207 20 10 EECDHN [O-]c1ccc(F)cc1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140062878 1314806721 /nfs/dbraw/zinc/80/67/21/1314806721.db2.gz HGCRJQPGTDQFQZ-IRXDYDNUSA-N 0 3 327.403 2.490 20 10 EECDHN Cc1ccc(CN2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c(O)c1 ZINC001140953789 1314995880 /nfs/dbraw/zinc/99/58/80/1314995880.db2.gz GRBNVUPGHIGTGP-INIZCTEOSA-N 0 3 348.443 2.426 20 10 EECDHN CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840159959 1315313328 /nfs/dbraw/zinc/31/33/28/1315313328.db2.gz NHZGMWPYCACBJB-HNAYVOBHSA-N 0 3 349.427 2.372 20 10 EECDHN CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840159959 1315313334 /nfs/dbraw/zinc/31/33/34/1315313334.db2.gz NHZGMWPYCACBJB-HNAYVOBHSA-N 0 3 349.427 2.372 20 10 EECDHN COc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001252717009 1317674761 /nfs/dbraw/zinc/67/47/61/1317674761.db2.gz BRHVZDLLKZBUCR-HNNXBMFYSA-N 0 3 329.396 2.199 20 10 EECDHN COc1ccc(OC[C@@H](O)C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001252717009 1317674765 /nfs/dbraw/zinc/67/47/65/1317674765.db2.gz BRHVZDLLKZBUCR-HNNXBMFYSA-N 0 3 329.396 2.199 20 10 EECDHN C[C@H](CC(=O)N1CCOCC1)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001256327444 1318710820 /nfs/dbraw/zinc/71/08/20/1318710820.db2.gz FGIASUYGOMVUIV-CQSZACIVSA-N 0 3 328.412 2.272 20 10 EECDHN CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552203 1321910613 /nfs/dbraw/zinc/91/06/13/1321910613.db2.gz DTCDFDPNWFFMFI-KRWDZBQOSA-N 0 3 338.473 2.172 20 10 EECDHN CS(=O)(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552203 1321910616 /nfs/dbraw/zinc/91/06/16/1321910616.db2.gz DTCDFDPNWFFMFI-KRWDZBQOSA-N 0 3 338.473 2.172 20 10 EECDHN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1ccc(O)cc1O)C2 ZINC001204274456 1322100002 /nfs/dbraw/zinc/10/00/02/1322100002.db2.gz BHEVOGAHVVWGHY-JSGCOSHPSA-N 0 3 328.368 2.037 20 10 EECDHN O=C1[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]2CN1c1ccsc1 ZINC001204274826 1322100256 /nfs/dbraw/zinc/10/02/56/1322100256.db2.gz UIKBHUZJAMIUKW-WFASDCNBSA-N 0 3 330.409 2.254 20 10 EECDHN O=C1[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]2CN1c1ccsc1 ZINC001204274826 1322100261 /nfs/dbraw/zinc/10/02/61/1322100261.db2.gz UIKBHUZJAMIUKW-WFASDCNBSA-N 0 3 330.409 2.254 20 10 EECDHN COc1cc(C)nc(OC2CCN(Cc3ccc(O)cc3O)CC2)n1 ZINC001204281808 1322102634 /nfs/dbraw/zinc/10/26/34/1322102634.db2.gz KVIOBCNHHKXUQQ-UHFFFAOYSA-N 0 3 345.399 2.248 20 10 EECDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001263096089 1322432641 /nfs/dbraw/zinc/43/26/41/1322432641.db2.gz GYIXLJQMHZUGSZ-DNVCBOLYSA-N 0 3 347.503 2.275 20 10 EECDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCNC[C@@H]2F)c1 ZINC001579589569 1344397439 /nfs/dbraw/zinc/39/74/39/1344397439.db2.gz KBEWYVUSKPJWBU-ZWKOTPCHSA-N 0 3 343.402 2.336 20 10 EECDHN CN(C)c1ccc(C[N@H+](Cc2cccc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001591031356 1349431517 /nfs/dbraw/zinc/43/15/17/1349431517.db2.gz IDSWTJPOBGODOY-UHFFFAOYSA-N 0 3 349.442 2.492 20 10 EECDHN CN(C)c1ccc(C[N@@H+](Cc2cccc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001591031356 1349431520 /nfs/dbraw/zinc/43/15/20/1349431520.db2.gz IDSWTJPOBGODOY-UHFFFAOYSA-N 0 3 349.442 2.492 20 10 EECDHN CCN(CC)c1ccc(CN2CCCO[C@H](C(=O)OC)C2)c(O)c1 ZINC001140857013 1372698782 /nfs/dbraw/zinc/69/87/82/1372698782.db2.gz LDZSFTZOFOOQLM-KRWDZBQOSA-N 0 3 336.432 2.002 20 10 EECDHN Cc1ccc(C[N@H+]2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)c([O-])c1 ZINC001140950389 1372726412 /nfs/dbraw/zinc/72/64/12/1372726412.db2.gz ROJPYTJQDOENDD-VQIMIIECSA-N 0 3 347.459 2.095 20 10 EECDHN Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)c([O-])c1 ZINC001140950389 1372726419 /nfs/dbraw/zinc/72/64/19/1372726419.db2.gz ROJPYTJQDOENDD-VQIMIIECSA-N 0 3 347.459 2.095 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3ncc(C)cn3)C2)c(OC)c1 ZINC001141032407 1372746317 /nfs/dbraw/zinc/74/63/17/1372746317.db2.gz AWXFZRCXECERTD-ZDUSSCGKSA-N 0 3 345.399 2.161 20 10 EECDHN C[C@H]1CCN(Cc2ccc(I)cc2[O-])CC[NH2+]1 ZINC001210495721 757978514 /nfs/dbraw/zinc/97/85/14/757978514.db2.gz AXPDZMJHKFFTLS-JTQLQIEISA-N 0 3 346.212 2.181 20 10 EECDHN CNC(=O)c1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000179434171 773754873 /nfs/dbraw/zinc/75/48/73/773754873.db2.gz IKZKPFNMJBEZLD-UHFFFAOYSA-N 0 3 344.411 2.401 20 10 EECDHN CN(C)[C@H](C(=O)NCCC1=CCN(c2cccc(F)n2)CC1)C1CC1 ZINC001089844522 777843961 /nfs/dbraw/zinc/84/39/61/777843961.db2.gz DLRCLDRDMAAKBP-SFHVURJKSA-N 0 3 346.450 2.204 20 10 EECDHN CN(C)c1ccc(CN2CC[C@@H](CC(N)=O)C2)c(C(F)(F)F)c1 ZINC000809785207 783387134 /nfs/dbraw/zinc/38/71/34/783387134.db2.gz QABHBMBJCRWXTK-NSHDSACASA-N 0 3 329.366 2.469 20 10 EECDHN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000844980812 789490585 /nfs/dbraw/zinc/49/05/85/789490585.db2.gz PLZGKXVXZCSZPS-HNNXBMFYSA-N 0 3 346.475 2.010 20 10 EECDHN COc1cccc([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000846150718 790064036 /nfs/dbraw/zinc/06/40/36/790064036.db2.gz NORZCWZXKJITLT-KOLCDFICSA-N 0 3 332.322 2.215 20 10 EECDHN COc1cc(O)c(CN2CCC(N3CCCCC3=O)CC2)cc1OC ZINC000160426615 463337487 /nfs/dbraw/zinc/33/74/87/463337487.db2.gz HROZQWKRUHGBBZ-UHFFFAOYSA-N 0 3 348.443 2.386 20 10 EECDHN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185006842 463734931 /nfs/dbraw/zinc/73/49/31/463734931.db2.gz KBPWGHMVTCFWGZ-HNNXBMFYSA-N 0 3 333.476 2.342 20 10 EECDHN CC[C@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000269039807 463854252 /nfs/dbraw/zinc/85/42/52/463854252.db2.gz TUPXYZNELXWGKH-WBVHZDCISA-N 0 3 339.505 2.217 20 10 EECDHN C[C@@H]1CN(CCCNC(=O)NCc2ccc(N(C)C)cc2)CCCO1 ZINC000277225581 463906282 /nfs/dbraw/zinc/90/62/82/463906282.db2.gz MDLZNSMTVRSSCN-MRXNPFEDSA-N 0 3 348.491 2.053 20 10 EECDHN CN(C)c1ccc(CNCCNC(=O)C2CC2)c(C(F)(F)F)c1 ZINC000279916385 464164253 /nfs/dbraw/zinc/16/42/53/464164253.db2.gz MFLHWHYZBUVQSS-UHFFFAOYSA-N 0 3 329.366 2.387 20 10 EECDHN CC[C@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280073964 464186034 /nfs/dbraw/zinc/18/60/34/464186034.db2.gz LENUNVWNFCVYCN-HNNXBMFYSA-N 0 3 328.478 2.413 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCC[NH2+]1 ZINC000236919160 464238866 /nfs/dbraw/zinc/23/88/66/464238866.db2.gz GYYNIOBTHJPPFC-GFCCVEGCSA-N 0 3 327.222 2.255 20 10 EECDHN COCCCN(C)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000173589555 464289955 /nfs/dbraw/zinc/28/99/55/464289955.db2.gz CEOIRTSJXVWMJH-UHFFFAOYSA-N 0 3 349.475 2.039 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000273601767 464722033 /nfs/dbraw/zinc/72/20/33/464722033.db2.gz SBUYLJBXMFTERG-NVXWUHKLSA-N 0 3 333.476 2.294 20 10 EECDHN COCCOCCOCCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000274697980 464752814 /nfs/dbraw/zinc/75/28/14/464752814.db2.gz XCGZIJMFPKMQQM-AWEZNQCLSA-N 0 3 327.421 2.121 20 10 EECDHN Cc1cccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1O ZINC000282253533 464753647 /nfs/dbraw/zinc/75/36/47/464753647.db2.gz BIINNSAIVLVMSN-UHFFFAOYSA-N 0 3 338.473 2.091 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000362688185 465943253 /nfs/dbraw/zinc/94/32/53/465943253.db2.gz SWXHOCPMGOVKFE-IEBWSBKVSA-N 0 3 331.504 2.467 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000362688185 465943264 /nfs/dbraw/zinc/94/32/64/465943264.db2.gz SWXHOCPMGOVKFE-IEBWSBKVSA-N 0 3 331.504 2.467 20 10 EECDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000324394101 466646336 /nfs/dbraw/zinc/64/63/36/466646336.db2.gz QZKPTOAJZRUQRZ-BLLLJJGKSA-N 0 3 331.416 2.318 20 10 EECDHN COc1cc(O)c(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1OC ZINC000369145752 466715760 /nfs/dbraw/zinc/71/57/60/466715760.db2.gz SRBMWBVWGRKNEX-KRWDZBQOSA-N 0 3 347.415 2.078 20 10 EECDHN COc1ccc([O-])c(C[NH+]2CCC(CCN3CCOCC3)CC2)c1 ZINC000374992374 466762722 /nfs/dbraw/zinc/76/27/22/466762722.db2.gz XLRYURRHTISACT-UHFFFAOYSA-N 0 3 334.460 2.335 20 10 EECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160043839 528430322 /nfs/dbraw/zinc/43/03/22/528430322.db2.gz OMJFOZCQKIIJMM-CYBMUJFWSA-N 0 3 336.432 2.148 20 10 EECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160043839 528430329 /nfs/dbraw/zinc/43/03/29/528430329.db2.gz OMJFOZCQKIIJMM-CYBMUJFWSA-N 0 3 336.432 2.148 20 10 EECDHN COCCN1CCC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773372898 577337320 /nfs/dbraw/zinc/33/73/20/577337320.db2.gz XDEGXCRRYOHEDY-OAHLLOKOSA-N 0 3 348.491 2.224 20 10 EECDHN C[C@@H](NCC(=O)NC(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000775832954 577446886 /nfs/dbraw/zinc/44/68/86/577446886.db2.gz DCDBPGLHLXBQKJ-CYBMUJFWSA-N 0 3 332.448 2.172 20 10 EECDHN CO[C@@]1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CCOC1 ZINC000764682750 577486647 /nfs/dbraw/zinc/48/66/47/577486647.db2.gz LMOFDLKURUKTNZ-CQSZACIVSA-N 0 3 330.222 2.358 20 10 EECDHN COC[C@](C)(O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765936791 577509423 /nfs/dbraw/zinc/50/94/23/577509423.db2.gz LVQZOVXMOREVJL-CXAGYDPISA-N 0 3 342.867 2.225 20 10 EECDHN CCOc1ccc(O)c(CN(CCC(=O)OC)C[C@@H]2CCCO2)c1 ZINC000769445792 577578084 /nfs/dbraw/zinc/57/80/84/577578084.db2.gz JUCFFUZECGVCOV-INIZCTEOSA-N 0 3 337.416 2.335 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+](CCC(=O)OC)C[C@@H]2CCCO2)c1 ZINC000769445792 577578085 /nfs/dbraw/zinc/57/80/85/577578085.db2.gz JUCFFUZECGVCOV-INIZCTEOSA-N 0 3 337.416 2.335 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+](CCC(=O)OC)C[C@@H]2CCCO2)c1 ZINC000769445792 577578086 /nfs/dbraw/zinc/57/80/86/577578086.db2.gz JUCFFUZECGVCOV-INIZCTEOSA-N 0 3 337.416 2.335 20 10 EECDHN CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c([O-])c1 ZINC000770332658 577594036 /nfs/dbraw/zinc/59/40/36/577594036.db2.gz PLELMOUAIDBAIM-MAUKXSAKSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c([O-])c1 ZINC000770332658 577594037 /nfs/dbraw/zinc/59/40/37/577594037.db2.gz PLELMOUAIDBAIM-MAUKXSAKSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c([O-])c1 ZINC000770353279 577594463 /nfs/dbraw/zinc/59/44/63/577594463.db2.gz ZDEJSIPKJCYZDC-VDZJLULYSA-N 0 3 334.460 2.474 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCc2ccc(-n3cncn3)nc2)c1 ZINC000756432939 577844111 /nfs/dbraw/zinc/84/41/11/577844111.db2.gz WPFSDJKSZBSFFY-GFCCVEGCSA-N 0 3 325.372 2.227 20 10 EECDHN COc1ccc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000757917318 577866452 /nfs/dbraw/zinc/86/64/52/577866452.db2.gz CONILRBVNNLMRE-UHFFFAOYSA-N 0 3 340.471 2.474 20 10 EECDHN O=C(NCc1ccccc1O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000748462740 577962243 /nfs/dbraw/zinc/96/22/43/577962243.db2.gz HTFICGDTDTVDEH-KRWDZBQOSA-N 0 3 325.412 2.466 20 10 EECDHN CN(C)c1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821589509 606215225 /nfs/dbraw/zinc/21/52/25/606215225.db2.gz QRDOHKDRMMYBST-UHFFFAOYSA-N 0 3 332.408 2.423 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CC[C@@H]2CCOC2)N(C)C)cc1 ZINC000891251080 676247215 /nfs/dbraw/zinc/24/72/15/676247215.db2.gz DIQYYJINIWULKS-CRAIPNDOSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2cccnc2)N(C)C)cc1 ZINC000891255787 676253026 /nfs/dbraw/zinc/25/30/26/676253026.db2.gz RYIBWOMNUGKZKF-LJQANCHMSA-N 0 3 340.471 2.499 20 10 EECDHN COc1ccc(N2CCN(CCCc3cnn(C)c3)CC2)cc1F ZINC000084866458 676788174 /nfs/dbraw/zinc/78/81/74/676788174.db2.gz CDPDJRMHTJXQGJ-UHFFFAOYSA-N 0 3 332.423 2.323 20 10 EECDHN CCn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000895451234 684605137 /nfs/dbraw/zinc/60/51/37/684605137.db2.gz LFLZMMXCFDOJJN-UHFFFAOYSA-N 0 3 328.460 2.462 20 10 EECDHN CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618089 1190933371 /nfs/dbraw/zinc/93/33/71/1190933371.db2.gz BFDLYYONMGNASR-IBGZPJMESA-N 0 3 332.444 2.243 20 10 EECDHN CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618089 1190933374 /nfs/dbraw/zinc/93/33/74/1190933374.db2.gz BFDLYYONMGNASR-IBGZPJMESA-N 0 3 332.444 2.243 20 10 EECDHN CC(C)(C)C(=O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618855 1190933465 /nfs/dbraw/zinc/93/34/65/1190933465.db2.gz PFNBCPDYTRTWRE-FQEVSTJZSA-N 0 3 344.455 2.432 20 10 EECDHN CC(C)(C)C(=O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618855 1190933467 /nfs/dbraw/zinc/93/34/67/1190933467.db2.gz PFNBCPDYTRTWRE-FQEVSTJZSA-N 0 3 344.455 2.432 20 10 EECDHN CCCCN1C[C@@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625568 1190937415 /nfs/dbraw/zinc/93/74/15/1190937415.db2.gz MFFVXFIPRJQSDG-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN CCCCN1C[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625568 1190937418 /nfs/dbraw/zinc/93/74/18/1190937418.db2.gz MFFVXFIPRJQSDG-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN O=C1N(C2CCCC2)CC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272982402 1194291194 /nfs/dbraw/zinc/29/11/94/1194291194.db2.gz IEBREOGQBZOCPU-IBGZPJMESA-N 0 3 330.428 2.465 20 10 EECDHN O=C1N(C2CCCC2)CC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272982402 1194291198 /nfs/dbraw/zinc/29/11/98/1194291198.db2.gz IEBREOGQBZOCPU-IBGZPJMESA-N 0 3 330.428 2.465 20 10 EECDHN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983661 1194293005 /nfs/dbraw/zinc/29/30/05/1194293005.db2.gz YCFBGEYBZGTYDP-YJYMSZOUSA-N 0 3 346.427 2.237 20 10 EECDHN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983661 1194293008 /nfs/dbraw/zinc/29/30/08/1194293008.db2.gz YCFBGEYBZGTYDP-YJYMSZOUSA-N 0 3 346.427 2.237 20 10 EECDHN CCC[N@H+](Cc1cccc(S(N)(=O)=O)c1)Cc1ccccc1[O-] ZINC000876654683 1199710349 /nfs/dbraw/zinc/71/03/49/1199710349.db2.gz LVQJDBVEJSZIFQ-UHFFFAOYSA-N 0 3 334.441 2.452 20 10 EECDHN CCC[N@@H+](Cc1cccc(S(N)(=O)=O)c1)Cc1ccccc1[O-] ZINC000876654683 1199710356 /nfs/dbraw/zinc/71/03/56/1199710356.db2.gz LVQJDBVEJSZIFQ-UHFFFAOYSA-N 0 3 334.441 2.452 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000876660661 1199714106 /nfs/dbraw/zinc/71/41/06/1199714106.db2.gz XWGMUSIBSGGDEC-UHFFFAOYSA-N 0 3 342.443 2.076 20 10 EECDHN Cc1ccc(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)c([O-])c1 ZINC000877009044 1199843271 /nfs/dbraw/zinc/84/32/71/1199843271.db2.gz RUQCMUMEWKXOFH-UHFFFAOYSA-N 0 3 334.441 2.386 20 10 EECDHN CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648266 1201193699 /nfs/dbraw/zinc/19/36/99/1201193699.db2.gz HRVQUGZHOFJGRK-OLZOCXBDSA-N 0 3 341.411 2.430 20 10 EECDHN Cc1cc(C(=O)Cn2cc([C@@H](C)N)nn2)c(C)n1-c1ccc(F)cn1 ZINC000881357543 1201684443 /nfs/dbraw/zinc/68/44/43/1201684443.db2.gz VADMCPAGOKRZEO-LLVKDONJSA-N 0 3 342.378 2.122 20 10 EECDHN CN1CCN(c2ccc(CNCc3cn4ccccc4n3)cc2)CC1 ZINC000883283325 1202040567 /nfs/dbraw/zinc/04/05/67/1202040567.db2.gz ASLTURCNTPJRKE-UHFFFAOYSA-N 0 3 335.455 2.376 20 10 EECDHN CN1CC[C@@]2(CC[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C2)C1=O ZINC001274174720 1204434069 /nfs/dbraw/zinc/43/40/69/1204434069.db2.gz OVRZMACGLFKUIT-HNNXBMFYSA-N 0 3 328.334 2.465 20 10 EECDHN CN1CC[C@@]2(CC[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C2)C1=O ZINC001274174720 1204434070 /nfs/dbraw/zinc/43/40/70/1204434070.db2.gz OVRZMACGLFKUIT-HNNXBMFYSA-N 0 3 328.334 2.465 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@]2(CCN(C3COC3)C2=O)CC1 ZINC001274303170 1204991090 /nfs/dbraw/zinc/99/10/90/1204991090.db2.gz FUYIVHLXMDKUFJ-HXUWFJFHSA-N 0 3 344.455 2.304 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@]2(CCN(C3COC3)C2=O)CC1 ZINC001274303170 1204991092 /nfs/dbraw/zinc/99/10/92/1204991092.db2.gz FUYIVHLXMDKUFJ-HXUWFJFHSA-N 0 3 344.455 2.304 20 10 EECDHN COc1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1C ZINC000796516367 1220482185 /nfs/dbraw/zinc/48/21/85/1220482185.db2.gz KIBZKKQOUAGNPN-HNNXBMFYSA-N 0 3 332.366 2.356 20 10 EECDHN CC[C@H](C)[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184425 1234072758 /nfs/dbraw/zinc/07/27/58/1234072758.db2.gz CBQDXVNITDRWKM-JQFCIGGWSA-N 0 3 346.475 2.322 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(O)(CO)CC1 ZINC000827146352 1250266955 /nfs/dbraw/zinc/26/69/55/1250266955.db2.gz FKLBMCPTEBGMJW-UHFFFAOYSA-N 0 3 343.423 2.290 20 10 EECDHN OC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000850567857 1277268774 /nfs/dbraw/zinc/26/87/74/1277268774.db2.gz KYJGWTUGYLXMJL-HXUWFJFHSA-N 0 3 326.440 2.471 20 10 EECDHN CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192066 1301744221 /nfs/dbraw/zinc/74/42/21/1301744221.db2.gz KJBZVWXMWZTPSF-XOIINTDNSA-N 0 3 332.444 2.471 20 10 EECDHN CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192066 1301744227 /nfs/dbraw/zinc/74/42/27/1301744227.db2.gz KJBZVWXMWZTPSF-XOIINTDNSA-N 0 3 332.444 2.471 20 10 EECDHN COc1cc(CN2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)cc1O ZINC001231634603 1303872232 /nfs/dbraw/zinc/87/22/32/1303872232.db2.gz POYCLRVXAWKMDI-YMTOWFKASA-N 0 3 335.322 2.242 20 10 EECDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)N[C@@H](C)c3ncc[nH]3)C2)c(O)c1 ZINC001277567427 1303919988 /nfs/dbraw/zinc/91/99/88/1303919988.db2.gz GPMHLKORYJXQAP-ZFWWWQNUSA-N 0 3 340.427 2.123 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(Br)c1 ZINC001235986281 1305468287 /nfs/dbraw/zinc/46/82/87/1305468287.db2.gz DOKFYVTTYZDMRV-XPTSAGLGSA-N 0 3 327.222 2.086 20 10 EECDHN O=C1NCC[C@]12CCC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237118623 1305801157 /nfs/dbraw/zinc/80/11/57/1305801157.db2.gz ZISMXVQIILEQQU-HNNXBMFYSA-N 0 3 344.333 2.393 20 10 EECDHN O=C1NCC[C@]12CCC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237118623 1305801173 /nfs/dbraw/zinc/80/11/73/1305801173.db2.gz ZISMXVQIILEQQU-HNNXBMFYSA-N 0 3 344.333 2.393 20 10 EECDHN CCN1CC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)[C@@H](COC)C1=O ZINC001237488748 1305956374 /nfs/dbraw/zinc/95/63/74/1305956374.db2.gz ORFJWGQKTUBPRS-KRWDZBQOSA-N 0 3 346.471 2.408 20 10 EECDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000828667060 1314469321 /nfs/dbraw/zinc/46/93/21/1314469321.db2.gz MEOSALSHDMKQHV-YVEFUNNKSA-N 0 3 326.396 2.465 20 10 EECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(N3CCOCC3)CCSC1)CC2 ZINC000834533872 1314848144 /nfs/dbraw/zinc/84/81/44/1314848144.db2.gz AZCHRHAFYJXWJW-QAPCUYQASA-N 0 3 334.485 2.177 20 10 EECDHN CN(C)C(=O)[C@@H]1CCCN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078346 1315037880 /nfs/dbraw/zinc/03/78/80/1315037880.db2.gz TYVRBUBAIJXIOX-SFHVURJKSA-N 0 3 327.472 2.438 20 10 EECDHN O=C1NC[C@@]2(CCCN(Cc3cc4c5c(c3)CCCN5CCC4)C2)O1 ZINC001141078185 1315038154 /nfs/dbraw/zinc/03/81/54/1315038154.db2.gz OAEGAIWYAYDKPR-HXUWFJFHSA-N 0 3 341.455 2.460 20 10 EECDHN CC(C)(C)c1cccc(CN2CCN(CC(N)=O)C(C)(C)C2)c1O ZINC001143110849 1315865964 /nfs/dbraw/zinc/86/59/64/1315865964.db2.gz RGSKXFIAYBILHH-UHFFFAOYSA-N 0 3 333.476 2.071 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CCc4nncn4CC3)ccc2O1 ZINC001249230545 1317029426 /nfs/dbraw/zinc/02/94/26/1317029426.db2.gz KUKIUROLDUUELX-UHFFFAOYSA-N 0 3 326.400 2.226 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCc4nncn4CC3)ccc2O1 ZINC001249230545 1317029439 /nfs/dbraw/zinc/02/94/39/1317029439.db2.gz KUKIUROLDUUELX-UHFFFAOYSA-N 0 3 326.400 2.226 20 10 EECDHN COc1nccc(C)c1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249338358 1317057234 /nfs/dbraw/zinc/05/72/34/1317057234.db2.gz AKTLBIKEZPJOIT-GFCCVEGCSA-N 0 3 326.356 2.397 20 10 EECDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc(CCO)cc1)c1ccccc1[O-] ZINC001253163067 1317785122 /nfs/dbraw/zinc/78/51/22/1317785122.db2.gz NAFCVNZXIRUNDC-ZBFHGGJFSA-N 0 3 331.412 2.018 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001203551329 1321910309 /nfs/dbraw/zinc/91/03/09/1321910309.db2.gz CPICQUNSYZDJOS-YQVWRLOYSA-N 0 3 333.428 2.035 20 10 EECDHN [O-]c1ccccc1C[N@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001203551329 1321910312 /nfs/dbraw/zinc/91/03/12/1321910312.db2.gz CPICQUNSYZDJOS-YQVWRLOYSA-N 0 3 333.428 2.035 20 10 EECDHN O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccccc2[O-])C1 ZINC001203551843 1321910433 /nfs/dbraw/zinc/91/04/33/1321910433.db2.gz QDTROECNJSYZTK-KVSKMBFKSA-N 0 3 344.455 2.430 20 10 EECDHN O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccccc2[O-])C1 ZINC001203551843 1321910435 /nfs/dbraw/zinc/91/04/35/1321910435.db2.gz QDTROECNJSYZTK-KVSKMBFKSA-N 0 3 344.455 2.430 20 10 EECDHN COc1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)c([O-])c1 ZINC001203629172 1321927241 /nfs/dbraw/zinc/92/72/41/1321927241.db2.gz RXUAXDMFOQVVBV-UHFFFAOYSA-N 0 3 340.379 2.458 20 10 EECDHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C[C@@H]21 ZINC001203932389 1321994064 /nfs/dbraw/zinc/99/40/64/1321994064.db2.gz ZVUMITVEEQDJPS-GUDVDZBRSA-N 0 3 345.487 2.068 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001204273301 1322100182 /nfs/dbraw/zinc/10/01/82/1322100182.db2.gz NEFIDEGNICTTLM-BEFAXECRSA-N 0 3 342.395 2.020 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001204273301 1322100189 /nfs/dbraw/zinc/10/01/89/1322100189.db2.gz NEFIDEGNICTTLM-BEFAXECRSA-N 0 3 342.395 2.020 20 10 EECDHN O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001204274611 1322100437 /nfs/dbraw/zinc/10/04/37/1322100437.db2.gz QNSPANFTOJFVTO-GJZGRUSLSA-N 0 3 344.436 2.363 20 10 EECDHN CCOc1ccc(N2CCN(C(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001319734378 1332753280 /nfs/dbraw/zinc/75/32/80/1332753280.db2.gz ZCTYKHSDJAKOGU-UHFFFAOYSA-N 0 3 331.460 2.218 20 10 EECDHN CN1CCN(c2ccc(CN3CC[C@H](n4cccn4)C3)cc2F)CC1 ZINC001330082010 1334775780 /nfs/dbraw/zinc/77/57/80/1334775780.db2.gz VJMXHYOYNMYPJA-KRWDZBQOSA-N 0 3 343.450 2.221 20 10 EECDHN O=C1N=NCN1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001333685737 1336105493 /nfs/dbraw/zinc/10/54/93/1336105493.db2.gz VKUBYXALTNRIIG-UHFFFAOYSA-N 0 3 327.432 2.421 20 10 EECDHN CO[C@@H]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001337399518 1336695719 /nfs/dbraw/zinc/69/57/19/1336695719.db2.gz HXINCGCXKZHSRA-RCCFBDPRSA-N 0 3 333.476 2.287 20 10 EECDHN CCn1cc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 ZINC001352750539 1338055918 /nfs/dbraw/zinc/05/59/18/1338055918.db2.gz OOKSTAVWITUYLZ-HNNXBMFYSA-N 0 3 349.866 2.411 20 10 EECDHN C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2c([O-])cccc2Cl)C1 ZINC001140339455 1372565495 /nfs/dbraw/zinc/56/54/95/1372565495.db2.gz VBLFWESOWDCGQE-CYBMUJFWSA-N 0 3 334.851 2.436 20 10 EECDHN CN1CCN(c2ccc(CNc3cnc4c(c3)CCCN4)cc2)CC1 ZINC001167436983 759391636 /nfs/dbraw/zinc/39/16/36/759391636.db2.gz JXIROMHOSJRHFM-UHFFFAOYSA-N 0 3 337.471 2.091 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000824616057 788245571 /nfs/dbraw/zinc/24/55/71/788245571.db2.gz QSQVAGBJDYEUAU-UONOGXRCSA-N 0 3 326.396 2.182 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000824616057 788245576 /nfs/dbraw/zinc/24/55/76/788245576.db2.gz QSQVAGBJDYEUAU-UONOGXRCSA-N 0 3 326.396 2.182 20 10 EECDHN C[C@@H]1CCN(CCNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000844187294 788895008 /nfs/dbraw/zinc/89/50/08/788895008.db2.gz DISCBAYVMQEKQZ-CYBMUJFWSA-N 0 3 344.484 2.388 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CC[C@]2(O)CCCOC2)c1[O-] ZINC000846106667 790063424 /nfs/dbraw/zinc/06/34/24/790063424.db2.gz DHSGQISTSIIQCO-OAHLLOKOSA-N 0 3 344.249 2.484 20 10 EECDHN COc1cccc([C@@H](C)N[C@@H](CCSC)C(=O)N(C)OC)c1O ZINC000846153900 790065501 /nfs/dbraw/zinc/06/55/01/790065501.db2.gz MKQXMPXFOQLTJO-YPMHNXCESA-N 0 3 342.461 2.193 20 10 EECDHN O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589644 792574606 /nfs/dbraw/zinc/57/46/06/792574606.db2.gz FYBFCMHHHATPCH-HNNXBMFYSA-N 0 3 342.395 2.370 20 10 EECDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1 ZINC001171690769 796712953 /nfs/dbraw/zinc/71/29/53/796712953.db2.gz HMIZNXABILXWDO-CQSZACIVSA-N 0 3 333.432 2.378 20 10 EECDHN CCN1CCC[C@@H](NCc2ccc(OC)c(Cn3cccn3)c2)C1=O ZINC000922638988 801561299 /nfs/dbraw/zinc/56/12/99/801561299.db2.gz JOFPSCVVLLCILT-QGZVFWFLSA-N 0 3 342.443 2.041 20 10 EECDHN CN(C)Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1 ZINC000788632452 807615488 /nfs/dbraw/zinc/61/54/88/807615488.db2.gz XWFBEWQLAVRSLM-UHFFFAOYSA-N 0 3 334.441 2.275 20 10 EECDHN O=C(NCc1cccc(O)c1O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001528771595 1121162902 /nfs/dbraw/zinc/16/29/02/1121162902.db2.gz QTJCGTYSPHENED-INIZCTEOSA-N 0 3 341.411 2.021 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000109770649 530003636 /nfs/dbraw/zinc/00/36/36/530003636.db2.gz KIWJEXBXBGUUII-HNNXBMFYSA-N 0 3 332.356 2.172 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000109770649 530003638 /nfs/dbraw/zinc/00/36/38/530003638.db2.gz KIWJEXBXBGUUII-HNNXBMFYSA-N 0 3 332.356 2.172 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC3(C2)CCOCC3)cc1 ZINC000076157225 462816089 /nfs/dbraw/zinc/81/60/89/462816089.db2.gz HGJDCCLIQHZHLW-UHFFFAOYSA-N 0 3 345.487 2.214 20 10 EECDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000186475427 464007570 /nfs/dbraw/zinc/00/75/70/464007570.db2.gz YGEXEFKATDVRSY-GFCCVEGCSA-N 0 3 328.796 2.375 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)OCCO)c1[O-] ZINC000290255754 464112173 /nfs/dbraw/zinc/11/21/73/464112173.db2.gz WCMUBVNJYUOQOW-UHFFFAOYSA-N 0 3 332.238 2.340 20 10 EECDHN COCCCN1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000263819654 464204177 /nfs/dbraw/zinc/20/41/77/464204177.db2.gz XFHVUJUEYBNYLR-UHFFFAOYSA-N 0 3 348.491 2.053 20 10 EECDHN CCOc1cccc(CN(C)C[C@@H](O)COCCOC(C)C)c1O ZINC000271135224 464282520 /nfs/dbraw/zinc/28/25/20/464282520.db2.gz MFWPGIVXKSRWNB-MRXNPFEDSA-N 0 3 341.448 2.025 20 10 EECDHN CCOc1cccc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000271135224 464282524 /nfs/dbraw/zinc/28/25/24/464282524.db2.gz MFWPGIVXKSRWNB-MRXNPFEDSA-N 0 3 341.448 2.025 20 10 EECDHN CCOc1cccc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000271135224 464282528 /nfs/dbraw/zinc/28/25/28/464282528.db2.gz MFWPGIVXKSRWNB-MRXNPFEDSA-N 0 3 341.448 2.025 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000293559333 464412181 /nfs/dbraw/zinc/41/21/81/464412181.db2.gz FXRYRVNJPJPEFR-KRWDZBQOSA-N 0 3 335.404 2.227 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000293559333 464412188 /nfs/dbraw/zinc/41/21/88/464412188.db2.gz FXRYRVNJPJPEFR-KRWDZBQOSA-N 0 3 335.404 2.227 20 10 EECDHN COc1c([O-])c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293559333 464412193 /nfs/dbraw/zinc/41/21/93/464412193.db2.gz FXRYRVNJPJPEFR-KRWDZBQOSA-N 0 3 335.404 2.227 20 10 EECDHN COc1c([O-])c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293559333 464412200 /nfs/dbraw/zinc/41/22/00/464412200.db2.gz FXRYRVNJPJPEFR-KRWDZBQOSA-N 0 3 335.404 2.227 20 10 EECDHN CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000182683996 464709704 /nfs/dbraw/zinc/70/97/04/464709704.db2.gz LUTLIKPPQWLWQK-GDBMZVCRSA-N 0 3 328.453 2.337 20 10 EECDHN CCCCN(Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)C1CC1 ZINC000298782221 465503673 /nfs/dbraw/zinc/50/36/73/465503673.db2.gz YFFYYDPHSRQDLW-UHFFFAOYSA-N 0 3 332.404 2.376 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000362688187 465942134 /nfs/dbraw/zinc/94/21/34/465942134.db2.gz SWXHOCPMGOVKFE-PKOBYXMFSA-N 0 3 331.504 2.467 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000362688187 465942138 /nfs/dbraw/zinc/94/21/38/465942138.db2.gz SWXHOCPMGOVKFE-PKOBYXMFSA-N 0 3 331.504 2.467 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000363845174 466635670 /nfs/dbraw/zinc/63/56/70/466635670.db2.gz ANGGELASOKKOIY-VEVIJQCQSA-N 0 3 331.416 2.072 20 10 EECDHN COc1c([O-])c(C[N@@H+]2C[C@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000377696812 467119388 /nfs/dbraw/zinc/11/93/88/467119388.db2.gz NOQLQFRHVRNMBK-TZMCWYRMSA-N 0 3 335.404 2.368 20 10 EECDHN COc1c([O-])c(C[N@H+]2C[C@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000377696812 467119391 /nfs/dbraw/zinc/11/93/91/467119391.db2.gz NOQLQFRHVRNMBK-TZMCWYRMSA-N 0 3 335.404 2.368 20 10 EECDHN CCOC[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000113936287 529018780 /nfs/dbraw/zinc/01/87/80/529018780.db2.gz FIPIZACHVRMZQK-SFHVURJKSA-N 0 3 347.503 2.460 20 10 EECDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(=O)NC2CCCCC2)c1 ZINC000775371140 577436085 /nfs/dbraw/zinc/43/60/85/577436085.db2.gz UKRSXEOOFFDWCQ-LBPRGKRZSA-N 0 3 349.431 2.210 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CN2CCOCC2)c1[O-] ZINC000775997943 577450294 /nfs/dbraw/zinc/45/02/94/577450294.db2.gz OMMPTGLGUZRODA-LBPRGKRZSA-N 0 3 343.265 2.273 20 10 EECDHN CCN(CC)c1ccc(CN[C@H]2CCOC[C@H]2OCCOC)cc1 ZINC000776812595 577468395 /nfs/dbraw/zinc/46/83/95/577468395.db2.gz LJVZIYIGBPPVBA-RBUKOAKNSA-N 0 3 336.476 2.443 20 10 EECDHN COC[C@H](CCO)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766106081 577513128 /nfs/dbraw/zinc/51/31/28/577513128.db2.gz CCBGWYKQWFRSLT-KBPBESRZSA-N 0 3 342.867 2.225 20 10 EECDHN CCOc1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)c([O-])c1 ZINC000768304516 577553457 /nfs/dbraw/zinc/55/34/57/577553457.db2.gz ZRYYSKYDRATWLC-UHFFFAOYSA-N 0 3 334.460 2.335 20 10 EECDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769481466 577578868 /nfs/dbraw/zinc/57/88/68/577578868.db2.gz AJHYMUVDMMHNFI-HNNXBMFYSA-N 0 3 336.407 2.190 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c([O-])c1 ZINC000769525579 577579738 /nfs/dbraw/zinc/57/97/38/577579738.db2.gz IPWUDOVPQRTNOM-VQIMIIECSA-N 0 3 347.503 2.249 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c([O-])c1 ZINC000769525579 577579739 /nfs/dbraw/zinc/57/97/39/577579739.db2.gz IPWUDOVPQRTNOM-VQIMIIECSA-N 0 3 347.503 2.249 20 10 EECDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCSc1nccs1 ZINC000759584590 577646037 /nfs/dbraw/zinc/64/60/37/577646037.db2.gz BKUFDORUIOVOJV-YPMHNXCESA-N 0 3 340.518 2.407 20 10 EECDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cncnc1 ZINC000891246741 676239963 /nfs/dbraw/zinc/23/99/63/676239963.db2.gz CMWPSPFNDFOZPP-RDTXWAMCSA-N 0 3 341.459 2.065 20 10 EECDHN Cc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000891249023 676245226 /nfs/dbraw/zinc/24/52/26/676245226.db2.gz OYFBOPKZQVLSGX-SFHVURJKSA-N 0 3 341.459 2.192 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCCOC2)N(C)C)cc1 ZINC000892204986 678247779 /nfs/dbraw/zinc/24/77/79/678247779.db2.gz DPJSSZLUVZWFKG-CRAIPNDOSA-N 0 3 348.491 2.081 20 10 EECDHN CN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCCN(C)C1 ZINC000892492242 681202517 /nfs/dbraw/zinc/20/25/17/681202517.db2.gz NNTNOBGSQREVFL-QGZVFWFLSA-N 0 3 330.476 2.305 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@]1(C)CCC[NH2+]C1 ZINC000904318863 694359590 /nfs/dbraw/zinc/35/95/90/694359590.db2.gz YBHMJURUCYTDKT-QGZVFWFLSA-N 0 3 340.851 2.410 20 10 EECDHN COC[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102997 693606950 /nfs/dbraw/zinc/60/69/50/693606950.db2.gz UIHCRENGHKCIES-YJBOKZPZSA-N 0 3 348.491 2.033 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765338 1193486984 /nfs/dbraw/zinc/48/69/84/1193486984.db2.gz HHUKQRSNDPIXLG-LIRRHRJNSA-N 0 3 330.428 2.103 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765338 1193486986 /nfs/dbraw/zinc/48/69/86/1193486986.db2.gz HHUKQRSNDPIXLG-LIRRHRJNSA-N 0 3 330.428 2.103 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765328 1193487210 /nfs/dbraw/zinc/48/72/10/1193487210.db2.gz HHUKQRSNDPIXLG-AUUYWEPGSA-N 0 3 330.428 2.103 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765328 1193487212 /nfs/dbraw/zinc/48/72/12/1193487212.db2.gz HHUKQRSNDPIXLG-AUUYWEPGSA-N 0 3 330.428 2.103 20 10 EECDHN CC[C@H](CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)OC ZINC000842157353 1188550398 /nfs/dbraw/zinc/55/03/98/1188550398.db2.gz QODNWPSAAJYNLO-OAHLLOKOSA-N 0 3 338.448 2.259 20 10 EECDHN CC(C)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCN(C)CC1 ZINC000113319830 1224287356 /nfs/dbraw/zinc/28/73/56/1224287356.db2.gz FMYZIWJZABTVLK-MRXNPFEDSA-N 0 3 325.884 2.407 20 10 EECDHN CCCCN1C[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273286090 1197956050 /nfs/dbraw/zinc/95/60/50/1197956050.db2.gz YTMVNTQRVBHMTJ-GOSISDBHSA-N 0 3 336.407 2.135 20 10 EECDHN CCCCN1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273286090 1197956055 /nfs/dbraw/zinc/95/60/55/1197956055.db2.gz YTMVNTQRVBHMTJ-GOSISDBHSA-N 0 3 336.407 2.135 20 10 EECDHN CCCCN1C[C@]2(CCN(Cc3cc(F)ccc3O)C2)OCC1=O ZINC001273286090 1197956059 /nfs/dbraw/zinc/95/60/59/1197956059.db2.gz YTMVNTQRVBHMTJ-GOSISDBHSA-N 0 3 336.407 2.135 20 10 EECDHN CN(C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000865435643 1198215739 /nfs/dbraw/zinc/21/57/39/1198215739.db2.gz MFGQWZCKKRJBEK-OAHLLOKOSA-N 0 3 343.383 2.160 20 10 EECDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c(Cn3cccn3)c2)[C@@H]1OC ZINC000877351899 1199911277 /nfs/dbraw/zinc/91/12/77/1199911277.db2.gz RPEGQHZIIXAMRY-QRQLOZEOSA-N 0 3 345.443 2.222 20 10 EECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000877503616 1199950904 /nfs/dbraw/zinc/95/09/04/1199950904.db2.gz RCMWNIIKERYKEL-MRXNPFEDSA-N 0 3 340.423 2.470 20 10 EECDHN CN1CC[NH+](C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CC1 ZINC000877746857 1200070315 /nfs/dbraw/zinc/07/03/15/1200070315.db2.gz ZPJSHCGDVUAVES-UHFFFAOYSA-N 0 3 341.858 2.397 20 10 EECDHN COc1ccc(O)c([C@H](C)NC[C@H](n2cncn2)C(F)(F)F)c1 ZINC000866435936 1201517247 /nfs/dbraw/zinc/51/72/47/1201517247.db2.gz HLAIYYABIUPXNN-ZANVPECISA-N 0 3 330.310 2.447 20 10 EECDHN NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccccc3[O-])cc2)CC1 ZINC000886325960 1202492970 /nfs/dbraw/zinc/49/29/70/1202492970.db2.gz XOCJSJQXEFUPCA-UHFFFAOYSA-N 0 3 339.439 2.384 20 10 EECDHN Oc1cc(O)c(CN2CC3(CCN3CCCC(F)(F)F)C2)c(O)c1 ZINC001275112339 1205258588 /nfs/dbraw/zinc/25/85/88/1205258588.db2.gz CPDFNROBZQFJQF-UHFFFAOYSA-N 0 3 346.349 2.406 20 10 EECDHN COCCOCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)cc1 ZINC001275833325 1205555967 /nfs/dbraw/zinc/55/59/67/1205555967.db2.gz HASMKNNQHDSMTJ-KDURUIRLSA-N 0 3 333.476 2.022 20 10 EECDHN CC(=O)c1cc(F)cc(CN2CCC3(CC2)C[C@@H](O)CCO3)c1O ZINC000933061088 1207719753 /nfs/dbraw/zinc/71/97/53/1207719753.db2.gz KPRFAYJPSXGLHK-HNNXBMFYSA-N 0 3 337.391 2.240 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1[O-] ZINC000779052217 1208480402 /nfs/dbraw/zinc/48/04/02/1208480402.db2.gz ONATXZJBYYSVNJ-ABAIWWIYSA-N 0 3 343.265 2.180 20 10 EECDHN CCN1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)C1(C)C ZINC000900184364 1234072704 /nfs/dbraw/zinc/07/27/04/1234072704.db2.gz AIJVKWBMXRHQNB-INIZCTEOSA-N 0 3 346.475 2.418 20 10 EECDHN CCC[C@@]1(C)NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185589 1234073812 /nfs/dbraw/zinc/07/38/12/1234073812.db2.gz OXFLFNSIGNUCIB-VQIMIIECSA-N 0 3 346.475 2.466 20 10 EECDHN CC[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(C)cc1[O-] ZINC000903290987 1240186982 /nfs/dbraw/zinc/18/69/82/1240186982.db2.gz LDFZECPWTCIHEC-OAHLLOKOSA-N 0 3 326.462 2.167 20 10 EECDHN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903299841 1240204412 /nfs/dbraw/zinc/20/44/12/1240204412.db2.gz SQEXNRJENRADLX-MZMPZRCHSA-N 0 3 338.423 2.117 20 10 EECDHN C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000850436679 1277223780 /nfs/dbraw/zinc/22/37/80/1277223780.db2.gz VYBCODPXJNCDPY-XJKSGUPXSA-N 0 3 349.866 2.280 20 10 EECDHN COc1ccc(N2CCN(CCCC(=O)NCC(C)C)CC2)cc1 ZINC000851714409 1277726966 /nfs/dbraw/zinc/72/69/66/1277726966.db2.gz QTPSXXXKJQVSRC-UHFFFAOYSA-N 0 3 333.476 2.370 20 10 EECDHN COC(=O)N1CCC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858123368 1294013663 /nfs/dbraw/zinc/01/36/63/1294013663.db2.gz WTRZODIUHORZDN-GFCCVEGCSA-N 0 3 327.375 2.351 20 10 EECDHN Cc1cc(O[C@H]2C[NH2+]C[C@@H]2F)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218021389 1297549068 /nfs/dbraw/zinc/54/90/68/1297549068.db2.gz ZHLCPLWTICGENX-WFASDCNBSA-N 0 3 341.338 2.165 20 10 EECDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H](N)Cc2c[nH]cn2)cc1 ZINC001218954654 1297881789 /nfs/dbraw/zinc/88/17/89/1297881789.db2.gz DWWNLSQFWWATEX-GOSISDBHSA-N 0 3 335.411 2.095 20 10 EECDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H](N)Cc2cnc[nH]2)cc1 ZINC001218954654 1297881793 /nfs/dbraw/zinc/88/17/93/1297881793.db2.gz DWWNLSQFWWATEX-GOSISDBHSA-N 0 3 335.411 2.095 20 10 EECDHN COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CC=CC3)CC2)c([O-])c1 ZINC001277457527 1303231390 /nfs/dbraw/zinc/23/13/90/1303231390.db2.gz OWUKDGJGBGHTFV-KRWDZBQOSA-N 0 3 342.439 2.401 20 10 EECDHN Cc1cccc(CN2CCC[C@@H](NC(=O)c3cccnc3)C2)c1O ZINC001231595420 1303860038 /nfs/dbraw/zinc/86/00/38/1303860038.db2.gz SWAGJBCXBDIGIF-QGZVFWFLSA-N 0 3 325.412 2.490 20 10 EECDHN COc1ccc(O[C@@H]2CCN(Cc3cc(OC)c(O)cc3O)C2)nc1 ZINC001231638805 1303875097 /nfs/dbraw/zinc/87/50/97/1303875097.db2.gz BKXRABGYDNZBMY-CQSZACIVSA-N 0 3 346.383 2.163 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001233108233 1304361823 /nfs/dbraw/zinc/36/18/23/1304361823.db2.gz JSEMEUUOCISRHN-HNNXBMFYSA-N 0 3 339.233 2.175 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001233108233 1304361817 /nfs/dbraw/zinc/36/18/17/1304361817.db2.gz JSEMEUUOCISRHN-HNNXBMFYSA-N 0 3 339.233 2.175 20 10 EECDHN O=c1cc2[nH]cnc(O[C@H]3CC[C@@H](N4CCOCC4)CC3)c-2cc1O ZINC001233948979 1304654214 /nfs/dbraw/zinc/65/42/14/1304654214.db2.gz RTVOKYVMFMYSNK-BETUJISGSA-N 0 3 345.399 2.063 20 10 EECDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C2 ZINC001235681405 1305325794 /nfs/dbraw/zinc/32/57/94/1305325794.db2.gz HYYIDGWEHHGCLG-KXBFYZLASA-N 0 3 333.428 2.311 20 10 EECDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C2 ZINC001235681405 1305325810 /nfs/dbraw/zinc/32/58/10/1305325810.db2.gz HYYIDGWEHHGCLG-KXBFYZLASA-N 0 3 333.428 2.311 20 10 EECDHN COc1cc(O)c(CN2CCC(c3nnc(C)o3)CC2)cc1OC ZINC001236751119 1305658151 /nfs/dbraw/zinc/65/81/51/1305658151.db2.gz AMDFCIKFDKFAFH-UHFFFAOYSA-N 0 3 333.388 2.480 20 10 EECDHN COc1cc(O)c(CN2CCC[C@H](Oc3cnccn3)C2)cc1OC ZINC001236753456 1305659725 /nfs/dbraw/zinc/65/97/25/1305659725.db2.gz OADYWXXJLWBISD-AWEZNQCLSA-N 0 3 345.399 2.243 20 10 EECDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@]3(CCN(CC)C3=O)C2)c([O-])c1 ZINC001237039716 1305775032 /nfs/dbraw/zinc/77/50/32/1305775032.db2.gz CNCYCXYXYFLLHZ-LIRRHRJNSA-N 0 3 332.444 2.481 20 10 EECDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@]3(CCN(CC)C3=O)C2)c([O-])c1 ZINC001237039716 1305775038 /nfs/dbraw/zinc/77/50/38/1305775038.db2.gz CNCYCXYXYFLLHZ-LIRRHRJNSA-N 0 3 332.444 2.481 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001237052379 1305780743 /nfs/dbraw/zinc/78/07/43/1305780743.db2.gz WANPLIRNFWFXTE-KBAYOESNSA-N 0 3 332.444 2.336 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001237052379 1305780749 /nfs/dbraw/zinc/78/07/49/1305780749.db2.gz WANPLIRNFWFXTE-KBAYOESNSA-N 0 3 332.444 2.336 20 10 EECDHN O=S1(=O)CCN(c2ccc(CN3CC4CCC3CC4)cc2)CC1 ZINC001237211781 1305851117 /nfs/dbraw/zinc/85/11/17/1305851117.db2.gz IRKDZLNVJYJCPL-UHFFFAOYSA-N 0 3 334.485 2.296 20 10 EECDHN Cc1cccc(O)c1CN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001237483693 1305953008 /nfs/dbraw/zinc/95/30/08/1305953008.db2.gz QYFJYRUGMULLKY-SFHVURJKSA-N 0 3 326.440 2.379 20 10 EECDHN COc1cc(CN2CC[C@]3(CCC[C@@H]3C(=O)N(C)C)C2)cc(O)c1O ZINC001278235697 1308882745 /nfs/dbraw/zinc/88/27/45/1308882745.db2.gz NUGNQHOFHBZAFQ-AUUYWEPGSA-N 0 3 348.443 2.187 20 10 EECDHN CC1=NC2(CCN(Cc3ccc(N(C)C)c(C)c3)CC2)C(=O)N1C ZINC001139673891 1314757983 /nfs/dbraw/zinc/75/79/83/1314757983.db2.gz HUQUGXLLNOXQKA-UHFFFAOYSA-N 0 3 328.460 2.286 20 10 EECDHN COc1cc(C)nc(N2CCN(Cc3c(C)ccc(C)c3O)CC2)n1 ZINC001140185388 1314830485 /nfs/dbraw/zinc/83/04/85/1314830485.db2.gz UMSBIPKTJSXIFR-UHFFFAOYSA-N 0 3 342.443 2.438 20 10 EECDHN COC(=O)[C@]1(C)CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140667256 1314926102 /nfs/dbraw/zinc/92/61/02/1314926102.db2.gz MPQSONNYCUYROS-GOSISDBHSA-N 0 3 336.407 2.047 20 10 EECDHN Cc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c([O-])c1 ZINC001140950556 1314994655 /nfs/dbraw/zinc/99/46/55/1314994655.db2.gz YODASXLFCCRXTE-HOTGVXAUSA-N 0 3 326.396 2.498 20 10 EECDHN CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)O1 ZINC001203552309 1321910520 /nfs/dbraw/zinc/91/05/20/1321910520.db2.gz ITTOQLVHXJLGOC-VQIMIIECSA-N 0 3 347.459 2.177 20 10 EECDHN CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)O1 ZINC001203552309 1321910521 /nfs/dbraw/zinc/91/05/21/1321910521.db2.gz ITTOQLVHXJLGOC-VQIMIIECSA-N 0 3 347.459 2.177 20 10 EECDHN COCCN1C(=O)CCC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203630788 1321927940 /nfs/dbraw/zinc/92/79/40/1321927940.db2.gz VJROKZMTFQRJFH-UHFFFAOYSA-N 0 3 348.443 2.004 20 10 EECDHN CN1CCN(c2ccc(CN3CC[C@@H](O)C(C)(C)C3)cc2F)CC1 ZINC001320699240 1332937144 /nfs/dbraw/zinc/93/71/44/1332937144.db2.gz NNYVAUWYTYCAPK-GOSISDBHSA-N 0 3 335.467 2.170 20 10 EECDHN c1cc(-c2nnn[n-]2)cc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001593565710 1349852489 /nfs/dbraw/zinc/85/24/89/1349852489.db2.gz TYKVCFPAHCNCLD-GOSISDBHSA-N 0 3 347.422 2.449 20 10 EECDHN c1cc(-c2nn[n-]n2)cc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC001593565710 1349852494 /nfs/dbraw/zinc/85/24/94/1349852494.db2.gz TYKVCFPAHCNCLD-GOSISDBHSA-N 0 3 347.422 2.449 20 10 EECDHN CC[C@@H](C)C[C@@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000400963931 1409773226 /nfs/dbraw/zinc/77/32/26/1409773226.db2.gz SMPQZFAAMSUSSZ-CRAIPNDOSA-N 0 3 333.476 2.245 20 10 EECDHN C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000894075535 780503433 /nfs/dbraw/zinc/50/34/33/780503433.db2.gz DLWSKPBQQGZGGF-DYVFJYSZSA-N 0 3 339.430 2.128 20 10 EECDHN CN1CCN(c2ccc(NCCc3cc(O)c(O)cc3O)cc2)CC1 ZINC001168005327 781634854 /nfs/dbraw/zinc/63/48/54/781634854.db2.gz FNSZISBGHQKYDH-UHFFFAOYSA-N 0 3 343.427 2.210 20 10 EECDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000819695880 785644425 /nfs/dbraw/zinc/64/44/25/785644425.db2.gz CSJULNTVTBAMDA-GJZGRUSLSA-N 0 3 348.443 2.157 20 10 EECDHN CCN1C[C@H](C[NH2+]Cc2cc(Br)cc(C)c2[O-])CC1=O ZINC000846097530 790061581 /nfs/dbraw/zinc/06/15/81/790061581.db2.gz QZMODQDSEOZBSU-NSHDSACASA-N 0 3 341.249 2.421 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3CCF)C2)cc1 ZINC001036905857 796451192 /nfs/dbraw/zinc/45/11/92/796451192.db2.gz QFCSAQSHESAHPX-UKRRQHHQSA-N 0 3 347.394 2.355 20 10 EECDHN O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001169749490 804009644 /nfs/dbraw/zinc/00/96/44/804009644.db2.gz ZEOZHPKHRJPRNJ-INIZCTEOSA-N 0 3 326.396 2.492 20 10 EECDHN Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)c(C)n1-c1ccccc1 ZINC000116790536 237187112 /nfs/dbraw/zinc/18/71/12/237187112.db2.gz OMXTXESVOJLCBR-SFHVURJKSA-N 0 3 341.455 2.497 20 10 EECDHN COCCN(CCOC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296293789 465146499 /nfs/dbraw/zinc/14/64/99/465146499.db2.gz HZUMEBVBJLSALW-UHFFFAOYSA-N 0 3 336.476 2.397 20 10 EECDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCN(C2CC2)CC1 ZINC000125118311 463504972 /nfs/dbraw/zinc/50/49/72/463504972.db2.gz OHAGMDPBPWNIKV-UHFFFAOYSA-N 0 3 340.471 2.489 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1[O-] ZINC000279357572 464092413 /nfs/dbraw/zinc/09/24/13/464092413.db2.gz GRXMGUNWVXYYOI-HZMBPMFUSA-N 0 3 330.222 2.093 20 10 EECDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)n1cncn1 ZINC000289755084 464093677 /nfs/dbraw/zinc/09/36/77/464093677.db2.gz MUCGGWGLLAWUED-AWEZNQCLSA-N 0 3 347.438 2.167 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1OC ZINC000289869984 464099388 /nfs/dbraw/zinc/09/93/88/464099388.db2.gz VSCPPCSBNJCOPD-NWDGAFQWSA-N 0 3 349.349 2.402 20 10 EECDHN C[C@@H](NCCS(=O)(=O)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000290110013 464108849 /nfs/dbraw/zinc/10/88/49/464108849.db2.gz INJQXQXWHNVYDS-OAHLLOKOSA-N 0 3 339.505 2.219 20 10 EECDHN CCOc1cccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000269898863 464124426 /nfs/dbraw/zinc/12/44/26/464124426.db2.gz FESZZQPMSRTUJC-IAGOWNOFSA-N 0 3 331.412 2.365 20 10 EECDHN COc1cc(O)c(CN2CCC[C@H](c3nc(C)no3)C2)cc1OC ZINC000179476324 464142757 /nfs/dbraw/zinc/14/27/57/464142757.db2.gz GUKDPGJUNWOYAQ-LBPRGKRZSA-N 0 3 333.388 2.480 20 10 EECDHN C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187702120 464152605 /nfs/dbraw/zinc/15/26/05/464152605.db2.gz NGDZQVPIVGKOBN-ZDUSSCGKSA-N 0 3 327.419 2.349 20 10 EECDHN C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000179886778 464203678 /nfs/dbraw/zinc/20/36/78/464203678.db2.gz GGQQUYRNMNJINJ-MRXNPFEDSA-N 0 3 339.439 2.392 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000271245648 464290216 /nfs/dbraw/zinc/29/02/16/464290216.db2.gz BZCTUKAABCJPTQ-RDTXWAMCSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000271245648 464290223 /nfs/dbraw/zinc/29/02/23/464290223.db2.gz BZCTUKAABCJPTQ-RDTXWAMCSA-N 0 3 345.443 2.470 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000281013460 464300041 /nfs/dbraw/zinc/30/00/41/464300041.db2.gz YTIJRUJBDPRHLS-YPMHNXCESA-N 0 3 344.249 2.198 20 10 EECDHN COc1cc(O)c(CNC(C)(C)C(=O)NCC(C)(C)C)cc1OC ZINC000182658079 464702957 /nfs/dbraw/zinc/70/29/57/464702957.db2.gz WFVJBYKYFPMGHS-UHFFFAOYSA-N 0 3 338.448 2.440 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCc2ccc(N3CCOCC3)nc2)c1 ZINC000273305061 464710226 /nfs/dbraw/zinc/71/02/26/464710226.db2.gz COTPOOOKAZUZOR-CQSZACIVSA-N 0 3 343.427 2.483 20 10 EECDHN COc1ccc(N2CCCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176213985 464722229 /nfs/dbraw/zinc/72/22/29/464722229.db2.gz PBKAIQYLWRYMDC-UHFFFAOYSA-N 0 3 345.403 2.012 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@@H](C)COC ZINC000282484970 464836158 /nfs/dbraw/zinc/83/61/58/464836158.db2.gz PESOCWOCEUXXCZ-DOTOQJQBSA-N 0 3 325.449 2.407 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@@H](C)COC ZINC000282484970 464836164 /nfs/dbraw/zinc/83/61/64/464836164.db2.gz PESOCWOCEUXXCZ-DOTOQJQBSA-N 0 3 325.449 2.407 20 10 EECDHN COc1cc(O)c(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1OC ZINC000369145758 466715956 /nfs/dbraw/zinc/71/59/56/466715956.db2.gz SRBMWBVWGRKNEX-QGZVFWFLSA-N 0 3 347.415 2.078 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378443310 467302397 /nfs/dbraw/zinc/30/23/97/467302397.db2.gz RZCBCBZEJUNZRE-CRAIPNDOSA-N 0 3 331.416 2.222 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378443310 467302401 /nfs/dbraw/zinc/30/24/01/467302401.db2.gz RZCBCBZEJUNZRE-CRAIPNDOSA-N 0 3 331.416 2.222 20 10 EECDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000292600729 528497510 /nfs/dbraw/zinc/49/75/10/528497510.db2.gz WPVSGFOBTPTMAN-GDZNZVCISA-N 0 3 337.439 2.039 20 10 EECDHN O=[N+]([O-])c1cc(CN[C@@]2(CCO)CCOC2)ccc1N1CCCCC1 ZINC000775028142 577426961 /nfs/dbraw/zinc/42/69/61/577426961.db2.gz CAINAJOWJNYJAT-SFHVURJKSA-N 0 3 349.431 2.216 20 10 EECDHN COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000776799995 577468368 /nfs/dbraw/zinc/46/83/68/577468368.db2.gz JELYTDCDEFXKKZ-NSHDSACASA-N 0 3 336.388 2.077 20 10 EECDHN CCCC(=O)NC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768438568 577555547 /nfs/dbraw/zinc/55/55/47/577555547.db2.gz BVFQFDHDCYQHIO-UHFFFAOYSA-N 0 3 336.432 2.290 20 10 EECDHN CN(CC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccccc1 ZINC000768452738 577556050 /nfs/dbraw/zinc/55/60/50/577556050.db2.gz SCCXFBFZDZAXHE-SFHVURJKSA-N 0 3 328.412 2.386 20 10 EECDHN CN(CC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccccc1 ZINC000768452738 577556051 /nfs/dbraw/zinc/55/60/51/577556051.db2.gz SCCXFBFZDZAXHE-SFHVURJKSA-N 0 3 328.412 2.386 20 10 EECDHN COc1cc(O)c(CN2CCC(O[C@@H]3CCOC3)CC2)cc1OC ZINC000768464429 577556456 /nfs/dbraw/zinc/55/64/56/577556456.db2.gz RANQWALATMRHBV-OAHLLOKOSA-N 0 3 337.416 2.179 20 10 EECDHN COc1cccc([O-])c1C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000769444764 577578024 /nfs/dbraw/zinc/57/80/24/577578024.db2.gz FRZSZHMHQUQMEM-UHFFFAOYSA-N 0 3 340.423 2.420 20 10 EECDHN Cc1ccc([C@H](C)NCCS(=O)(=O)NC(C)(C)C)c(O)c1C ZINC000756484368 577844875 /nfs/dbraw/zinc/84/48/75/577844875.db2.gz VJMDRTXXQXBFJP-ZDUSSCGKSA-N 0 3 328.478 2.378 20 10 EECDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000741140408 578113253 /nfs/dbraw/zinc/11/32/53/578113253.db2.gz RDXXJJLWOFBYMX-IYBDPMFKSA-N 0 3 331.460 2.012 20 10 EECDHN Cc1ccncc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245980 676239219 /nfs/dbraw/zinc/23/92/19/676239219.db2.gz LCXQBEGGGJMHQG-LJQANCHMSA-N 0 3 340.471 2.418 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2O)N(C)C)cc1 ZINC000891247492 676241927 /nfs/dbraw/zinc/24/19/27/676241927.db2.gz HRXAGSPOFVNQHE-SFHVURJKSA-N 0 3 341.455 2.420 20 10 EECDHN CNc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891249068 676245047 /nfs/dbraw/zinc/24/50/47/676245047.db2.gz PCBZQTXUIYBBTK-KRWDZBQOSA-N 0 3 341.459 2.222 20 10 EECDHN Cc1noc(C)c1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255447 676252767 /nfs/dbraw/zinc/25/27/67/676252767.db2.gz PKYBSVKJTWHUPY-SFHVURJKSA-N 0 3 344.459 2.319 20 10 EECDHN COc1ccc(CN2CCS[C@H]3COCC[C@H]32)c(O)c1OC ZINC000892209258 678256586 /nfs/dbraw/zinc/25/65/86/678256586.db2.gz AHFBNJSRNZHQQL-OCCSQVGLSA-N 0 3 325.430 2.116 20 10 EECDHN CCN(CC)c1ccc(CNC2CC(S(C)(=O)=O)C2)cc1F ZINC000892947251 683260777 /nfs/dbraw/zinc/26/07/77/683260777.db2.gz ARAKTQHIYOQQPE-UHFFFAOYSA-N 0 3 328.453 2.337 20 10 EECDHN Cc1cc(C(=O)NCCN(C)CCO)c(C)n1-c1ccccc1C ZINC000899729857 693848963 /nfs/dbraw/zinc/84/89/63/693848963.db2.gz PPODLWJWSMOYMH-UHFFFAOYSA-N 0 3 329.444 2.056 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1[O-] ZINC000895748903 684707605 /nfs/dbraw/zinc/70/76/05/684707605.db2.gz OLHHYPIAJNDJPH-KGLIPLIRSA-N 0 3 344.249 2.483 20 10 EECDHN CCO[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899096007 693600971 /nfs/dbraw/zinc/60/09/71/693600971.db2.gz OJEXIUKYSFWWIW-ZWKOTPCHSA-N 0 3 348.491 2.176 20 10 EECDHN CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618091 1190932908 /nfs/dbraw/zinc/93/29/08/1190932908.db2.gz BFDLYYONMGNASR-LJQANCHMSA-N 0 3 332.444 2.243 20 10 EECDHN CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618091 1190932911 /nfs/dbraw/zinc/93/29/11/1190932911.db2.gz BFDLYYONMGNASR-LJQANCHMSA-N 0 3 332.444 2.243 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@@]12CCCN2Cc1ccccc1O ZINC001272618683 1190933477 /nfs/dbraw/zinc/93/34/77/1190933477.db2.gz MUIQUAHGJGVRQI-SFHVURJKSA-N 0 3 327.384 2.147 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2CNCCF)cc1 ZINC001484620727 1191444900 /nfs/dbraw/zinc/44/49/00/1191444900.db2.gz RFKUECJLGWCIRM-CQSZACIVSA-N 0 3 335.383 2.403 20 10 EECDHN CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000702587168 1196021167 /nfs/dbraw/zinc/02/11/67/1196021167.db2.gz LUHCARNIEQKYEY-HIFRSBDPSA-N 0 3 343.265 2.262 20 10 EECDHN CC[C@H](C)N1C[C@@]2(CCN(Cc3cc(F)ccc3O)C2)OCC1=O ZINC001273285300 1197954149 /nfs/dbraw/zinc/95/41/49/1197954149.db2.gz PNWIGPYJKKYUKG-UGSOOPFHSA-N 0 3 336.407 2.133 20 10 EECDHN CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285300 1197954154 /nfs/dbraw/zinc/95/41/54/1197954154.db2.gz PNWIGPYJKKYUKG-UGSOOPFHSA-N 0 3 336.407 2.133 20 10 EECDHN CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285300 1197954158 /nfs/dbraw/zinc/95/41/58/1197954158.db2.gz PNWIGPYJKKYUKG-UGSOOPFHSA-N 0 3 336.407 2.133 20 10 EECDHN O=c1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c[nH]1 ZINC000865426787 1198210653 /nfs/dbraw/zinc/21/06/53/1198210653.db2.gz FJLFMFGOHQPGDE-UHFFFAOYSA-N 0 3 331.391 2.177 20 10 EECDHN CCN(CC)c1ccc(CN(C)C(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000826019600 1200244055 /nfs/dbraw/zinc/24/40/55/1200244055.db2.gz HXWKLGBZJJTVMQ-UHFFFAOYSA-N 0 3 341.459 2.174 20 10 EECDHN COc1ccc(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c([O-])c1 ZINC001275275313 1205295360 /nfs/dbraw/zinc/29/53/60/1205295360.db2.gz GOAOSAIVCMZRGZ-UHFFFAOYSA-N 0 3 342.443 2.222 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@@H](CC3CC3)C2=O)N(C)C)cc1 ZINC000900185561 1234073956 /nfs/dbraw/zinc/07/39/56/1234073956.db2.gz OTOQYUIFMFDSCT-DLBZAZTESA-N 0 3 344.459 2.076 20 10 EECDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903233345 1240060708 /nfs/dbraw/zinc/06/07/08/1240060708.db2.gz GZBVCPDDLMQLSA-RRFJBIMHSA-N 0 3 338.473 2.077 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000858498613 1294134432 /nfs/dbraw/zinc/13/44/32/1294134432.db2.gz SANJMRCYJTUOIA-RRFJBIMHSA-N 0 3 326.462 2.293 20 10 EECDHN COc1cc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)on1 ZINC000926853990 1296941820 /nfs/dbraw/zinc/94/18/20/1296941820.db2.gz KMXRORBJVKMKSY-CQSZACIVSA-N 0 3 330.432 2.286 20 10 EECDHN O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[C@@H]4NCCO[C@@H]34)cccc21 ZINC001218127553 1297580378 /nfs/dbraw/zinc/58/03/78/1297580378.db2.gz SQYSVIPLQWBBKP-LUQKVYGDSA-N 0 3 349.386 2.360 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCC34C[NH2+]C4)cccc21 ZINC001218240241 1297613279 /nfs/dbraw/zinc/61/32/79/1297613279.db2.gz LZBACLPWAUMOMO-OAHLLOKOSA-N 0 3 335.359 2.298 20 10 EECDHN COc1ccc(N2CCCC3(CN(CCn4ccnc4)C3)C2)cc1 ZINC001276926143 1300295448 /nfs/dbraw/zinc/29/54/48/1300295448.db2.gz BALCESRCDVCVLI-UHFFFAOYSA-N 0 3 326.444 2.494 20 10 EECDHN Cc1cc(C)c(CN2CCN(CC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001231846045 1303929723 /nfs/dbraw/zinc/92/97/23/1303929723.db2.gz ZJIZNUQXSDKSHZ-UHFFFAOYSA-N 0 3 334.460 2.468 20 10 EECDHN COC(=O)c1c(CN2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2n1C ZINC001232406335 1304110008 /nfs/dbraw/zinc/11/00/08/1304110008.db2.gz UVNXBADWZOAYAC-OKILXGFUSA-N 0 3 327.428 2.243 20 10 EECDHN COC(=O)c1c(CN(C)CCC2OCCO2)c2ccccc2n1C ZINC001232406053 1304110680 /nfs/dbraw/zinc/11/06/80/1304110680.db2.gz RWPMPGBWLISIOA-UHFFFAOYSA-N 0 3 332.400 2.160 20 10 EECDHN Cc1cc(Br)cc(CN2CC[C@@](C)(CO)[C@H](O)C2)c1O ZINC001233106498 1304361760 /nfs/dbraw/zinc/36/17/60/1304361760.db2.gz IHIFWWMKLHNMMJ-HIFRSBDPSA-N 0 3 344.249 2.028 20 10 EECDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485725 1304478331 /nfs/dbraw/zinc/47/83/31/1304478331.db2.gz IOMJGAXXWBEVQM-NSHDSACASA-N 0 3 338.404 2.150 20 10 EECDHN CCN1CCN(c2ccc(O[C@@H]3[C@H]4C[C@@H]5C(=O)O[C@@H]3[C@H]5C4)cc2)CC1 ZINC001234657713 1305002408 /nfs/dbraw/zinc/00/24/08/1305002408.db2.gz GWYHASBFJPYPGB-CAEUUNHDSA-N 0 3 342.439 2.157 20 10 EECDHN CCOC(=O)[C@]12CN(Cc3cccc(Cl)c3[O-])C[C@H]1C[NH2+]CC2 ZINC001236039905 1305483072 /nfs/dbraw/zinc/48/30/72/1305483072.db2.gz AOUHYNJBWOVENS-CXAGYDPISA-N 0 3 338.835 2.020 20 10 EECDHN CCOC(=O)[C@]12C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]1CNCC2 ZINC001236039905 1305483080 /nfs/dbraw/zinc/48/30/80/1305483080.db2.gz AOUHYNJBWOVENS-CXAGYDPISA-N 0 3 338.835 2.020 20 10 EECDHN CCOC(=O)[C@]12C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@H]1CNCC2 ZINC001236039905 1305483088 /nfs/dbraw/zinc/48/30/88/1305483088.db2.gz AOUHYNJBWOVENS-CXAGYDPISA-N 0 3 338.835 2.020 20 10 EECDHN COc1cc([O-])c(CN2[C@H](C)C[NH2+]C[C@H]2C)c(Br)c1 ZINC001236102714 1305501185 /nfs/dbraw/zinc/50/11/85/1305501185.db2.gz LHWTWELDZOWLQP-NXEZZACHSA-N 0 3 329.238 2.346 20 10 EECDHN Oc1cnc(N2CCN(Cc3cc4ccccc4cc3O)CC2)nc1 ZINC001236835269 1305694767 /nfs/dbraw/zinc/69/47/67/1305694767.db2.gz FZTQWBVGRLODOY-UHFFFAOYSA-N 0 3 336.395 2.363 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC001237490740 1305957958 /nfs/dbraw/zinc/95/79/58/1305957958.db2.gz ANJAQNRPCZXODM-UHFFFAOYSA-N 0 3 325.412 2.490 20 10 EECDHN COc1cc(CN2CCC(NC(=O)C3CCC3)CC2)c(O)c(OC)c1 ZINC001237676977 1306039524 /nfs/dbraw/zinc/03/95/24/1306039524.db2.gz VKVVRIKZDHQQBD-UHFFFAOYSA-N 0 3 348.443 2.290 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC2(CN(C)C2)CC1 ZINC001139132594 1314709260 /nfs/dbraw/zinc/70/92/60/1314709260.db2.gz XPPPIRMRGCILSR-UHFFFAOYSA-N 0 3 328.412 2.335 20 10 EECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140053909 1314806248 /nfs/dbraw/zinc/80/62/48/1314806248.db2.gz FAHFVGRKDSCANL-IYBDPMFKSA-N 0 3 327.403 2.490 20 10 EECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140053909 1314806253 /nfs/dbraw/zinc/80/62/53/1314806253.db2.gz FAHFVGRKDSCANL-IYBDPMFKSA-N 0 3 327.403 2.490 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841006040 1315453192 /nfs/dbraw/zinc/45/31/92/1315453192.db2.gz GVUGLMACSUHTLQ-STQMWFEESA-N 0 3 340.851 2.409 20 10 EECDHN C[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@H](c1ccccc1)N(C)C ZINC000841114168 1315479404 /nfs/dbraw/zinc/47/94/04/1315479404.db2.gz WUXSDWRFXOBPDY-CXAGYDPISA-N 0 3 340.427 2.015 20 10 EECDHN C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1[O-] ZINC000841747125 1315607894 /nfs/dbraw/zinc/60/78/94/1315607894.db2.gz OCLTZNQCIMBGHH-QWHCGFSZSA-N 0 3 339.867 2.284 20 10 EECDHN CC(C)(C)N1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1=O ZINC000842721561 1315761696 /nfs/dbraw/zinc/76/16/96/1315761696.db2.gz TWIHYBRBVGJQTG-QGZVFWFLSA-N 0 3 331.460 2.012 20 10 EECDHN [NH3+]C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC12CCOCC2 ZINC000843125359 1315849039 /nfs/dbraw/zinc/84/90/39/1315849039.db2.gz TXFQAPVKOOLOQB-LLVKDONJSA-N 0 3 328.815 2.372 20 10 EECDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N(CC)CC)c(F)c1 ZINC001261482446 1322113130 /nfs/dbraw/zinc/11/31/30/1322113130.db2.gz MKQJZVMDVZFZGH-QGZVFWFLSA-N 0 3 337.439 2.009 20 10 EECDHN CCOc1ccc(N2CCN(CC(C)(C)N3CCOCC3)CC2)cc1 ZINC001207306307 1323931992 /nfs/dbraw/zinc/93/19/92/1323931992.db2.gz VAXGQFGTYSWZSU-UHFFFAOYSA-N 0 3 347.503 2.318 20 10 EECDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)CN1C ZINC001324159130 1333621128 /nfs/dbraw/zinc/62/11/28/1333621128.db2.gz MWDFTMCCJXMHHF-HOTGVXAUSA-N 0 3 334.483 2.102 20 10 EECDHN CCN1CCN(c2ccc(CNCc3cc(C)[nH]n3)cc2F)CC1 ZINC001327213306 1334247093 /nfs/dbraw/zinc/24/70/93/1334247093.db2.gz RRRGAFFYMZYAEL-UHFFFAOYSA-N 0 3 331.439 2.289 20 10 EECDHN CCN1CCN(c2ccc(CNCc3cc(C)n[nH]3)cc2F)CC1 ZINC001327213306 1334247094 /nfs/dbraw/zinc/24/70/94/1334247094.db2.gz RRRGAFFYMZYAEL-UHFFFAOYSA-N 0 3 331.439 2.289 20 10 EECDHN CN1CCN(c2ccc(CN3CC[C@@H](n4cccn4)C3)cc2F)CC1 ZINC001330082012 1334776168 /nfs/dbraw/zinc/77/61/68/1334776168.db2.gz VJMXHYOYNMYPJA-QGZVFWFLSA-N 0 3 343.450 2.221 20 10 EECDHN COc1ccc(CN[C@H]2CCN(c3ccccc3)C2=O)c(O)c1OC ZINC001334941489 1336315608 /nfs/dbraw/zinc/31/56/08/1336315608.db2.gz CPPKYCZEBINTCD-HNNXBMFYSA-N 0 3 342.395 2.305 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccccc3)C1)[C@@H](O)CO2 ZINC000853593335 1369356611 /nfs/dbraw/zinc/35/66/11/1369356611.db2.gz HBELKVIMPCVNGR-QAPCUYQASA-N 0 3 327.380 2.471 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccccc3)C1)[C@@H](O)CO2 ZINC000853593335 1369356615 /nfs/dbraw/zinc/35/66/15/1369356615.db2.gz HBELKVIMPCVNGR-QAPCUYQASA-N 0 3 327.380 2.471 20 10 EECDHN CN(C)C(=O)CN(C(=O)c1cccc2c1CCNC2)c1ccccc1 ZINC001578399882 1403747327 /nfs/dbraw/zinc/74/73/27/1403747327.db2.gz KCGWQKKWTSRVLQ-UHFFFAOYSA-N 0 3 337.423 2.067 20 10 EECDHN O=C1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CN1CCOc1ccccc1 ZINC000180786738 775054407 /nfs/dbraw/zinc/05/44/07/775054407.db2.gz YOTIUHYJYGOELQ-INIZCTEOSA-N 0 3 344.386 2.301 20 10 EECDHN CC(=O)c1cccc(OC[C@@H](O)CNCc2ccc3c(c2)CCO3)c1 ZINC000818996977 785357560 /nfs/dbraw/zinc/35/75/60/785357560.db2.gz OCSYILGOWZUPFM-SFHVURJKSA-N 0 3 341.407 2.354 20 10 EECDHN Cc1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)c(O)c1O ZINC000846173620 790071154 /nfs/dbraw/zinc/07/11/54/790071154.db2.gz SAZWZYCIOXUWHO-UHFFFAOYSA-N 0 3 343.427 2.395 20 10 EECDHN COC(=O)[C@@H](C)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CCC1 ZINC000792188288 809643709 /nfs/dbraw/zinc/64/37/09/809643709.db2.gz VFCBRQCVWRMORU-MRXNPFEDSA-N 0 3 345.487 2.354 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1[O-] ZINC000195007423 301070411 /nfs/dbraw/zinc/07/04/11/301070411.db2.gz MABDNZUTCQHZLT-PELKAZGASA-N 0 3 327.222 2.077 20 10 EECDHN C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)C[C@@H](C)O1 ZINC000092506873 237037443 /nfs/dbraw/zinc/03/74/43/237037443.db2.gz OINKDMGFPSSJDF-FMKPAKJESA-N 0 3 348.443 2.195 20 10 EECDHN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)C[C@@H](C)O1 ZINC000092506873 237037453 /nfs/dbraw/zinc/03/74/53/237037453.db2.gz OINKDMGFPSSJDF-FMKPAKJESA-N 0 3 348.443 2.195 20 10 EECDHN COC1CCN(c2ccc(CN3CCC[C@@H](OCCO)C3)cc2)CC1 ZINC000297420777 465255416 /nfs/dbraw/zinc/25/54/16/465255416.db2.gz HCVKFKJHDSDBGI-HXUWFJFHSA-N 0 3 348.487 2.275 20 10 EECDHN CC[C@H](N[C@@H](C)c1ccc(N(C)CC)cc1)C(=O)N1CCOCC1 ZINC000165055599 463638894 /nfs/dbraw/zinc/63/88/94/463638894.db2.gz FPGFCUSYEHYNMM-YJBOKZPZSA-N 0 3 333.476 2.431 20 10 EECDHN C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000185341514 463804292 /nfs/dbraw/zinc/80/42/92/463804292.db2.gz JSGRDSPZBFXAGG-HNNXBMFYSA-N 0 3 341.455 2.360 20 10 EECDHN CC[NH+](CC)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278330295 463962807 /nfs/dbraw/zinc/96/28/07/463962807.db2.gz ZDQCTSLSOGLRFQ-CYBMUJFWSA-N 0 3 337.420 2.473 20 10 EECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(O)c2)c1 ZINC000289426974 464078140 /nfs/dbraw/zinc/07/81/40/464078140.db2.gz JXTYZTCHPAGMCS-AWEZNQCLSA-N 0 3 347.411 2.056 20 10 EECDHN CCCOc1ccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)c([O-])c1 ZINC000291157373 464146061 /nfs/dbraw/zinc/14/60/61/464146061.db2.gz CAGIVNNHAWBKDS-UHFFFAOYSA-N 0 3 336.432 2.413 20 10 EECDHN Oc1ccccc1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000179563544 464158196 /nfs/dbraw/zinc/15/81/96/464158196.db2.gz PEDAUEDYHFUBQJ-UHFFFAOYSA-N 0 3 332.366 2.479 20 10 EECDHN CCN(CC)c1ccc(CNC(=O)CCN2CCN(CC)CC2)cc1 ZINC000263736770 464172223 /nfs/dbraw/zinc/17/22/23/464172223.db2.gz ZMHGEKUABHHEPO-UHFFFAOYSA-N 0 3 346.519 2.177 20 10 EECDHN CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(C)cc1[O-] ZINC000280038552 464183122 /nfs/dbraw/zinc/18/31/22/464183122.db2.gz IRPVTQGTCAYEHU-QGZVFWFLSA-N 0 3 333.476 2.294 20 10 EECDHN O=C(N1CCCC1)N1CCC[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000285560933 464610544 /nfs/dbraw/zinc/61/05/44/464610544.db2.gz RPTGFGLDEOARNK-KRWDZBQOSA-N 0 3 329.444 2.391 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1F ZINC000272457361 464618586 /nfs/dbraw/zinc/61/85/86/464618586.db2.gz NRKFYPUGKJHPFD-PBHICJAKSA-N 0 3 334.439 2.127 20 10 EECDHN COc1ccc(O)c([C@@H](C)NC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285811021 464703651 /nfs/dbraw/zinc/70/36/51/464703651.db2.gz WLWIEHLWGHLWNC-ABAIWWIYSA-N 0 3 348.365 2.315 20 10 EECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285811021 464703657 /nfs/dbraw/zinc/70/36/57/464703657.db2.gz WLWIEHLWGHLWNC-ABAIWWIYSA-N 0 3 348.365 2.315 20 10 EECDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000248338875 464743340 /nfs/dbraw/zinc/74/33/40/464743340.db2.gz HZKKYHHOOIFSMI-CABCVRRESA-N 0 3 349.450 2.009 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000184698875 465020045 /nfs/dbraw/zinc/02/00/45/465020045.db2.gz CKLQKMWSDVLVII-CYBMUJFWSA-N 0 3 340.851 2.208 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000184698875 465020046 /nfs/dbraw/zinc/02/00/46/465020046.db2.gz CKLQKMWSDVLVII-CYBMUJFWSA-N 0 3 340.851 2.208 20 10 EECDHN COc1ccc(N2CCC(N[C@@H]3CCN(C(C)C)C3=O)CC2)cc1 ZINC000364350377 466696841 /nfs/dbraw/zinc/69/68/41/466696841.db2.gz XPFRBZJMVVVIOR-GOSISDBHSA-N 0 3 331.460 2.263 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1C1CCC1)cc2=O ZINC000102927642 528318113 /nfs/dbraw/zinc/31/81/13/528318113.db2.gz RBDPZWOFQXUEJB-HNNXBMFYSA-N 0 3 344.415 2.376 20 10 EECDHN CCOc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c([O-])c1 ZINC000725846656 576066041 /nfs/dbraw/zinc/06/60/41/576066041.db2.gz OEJKWSMDJVKJPD-MRXNPFEDSA-N 0 3 331.416 2.147 20 10 EECDHN COCCCN(C)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773321836 577333157 /nfs/dbraw/zinc/33/31/57/577333157.db2.gz MQCGUVZIIUBAIF-HNNXBMFYSA-N 0 3 336.480 2.081 20 10 EECDHN COC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000776001046 577450375 /nfs/dbraw/zinc/45/03/75/577450375.db2.gz OJNNLPYAFPGMQU-VQIMIIECSA-N 0 3 345.487 2.212 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCN(C)C2=O)c1[O-] ZINC000776232648 577455306 /nfs/dbraw/zinc/45/53/06/577455306.db2.gz SPKCLRLGXANMOV-GFCCVEGCSA-N 0 3 327.222 2.174 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@](O)(c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000776767582 577467531 /nfs/dbraw/zinc/46/75/31/577467531.db2.gz DFMDWHLXDUVNOT-PKOBYXMFSA-N 0 3 345.370 2.051 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@](O)(c3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000776767582 577467532 /nfs/dbraw/zinc/46/75/32/577467532.db2.gz DFMDWHLXDUVNOT-PKOBYXMFSA-N 0 3 345.370 2.051 20 10 EECDHN [O-]c1cc2c(cc1CN1CCC[N@@H+](C3CCCC3)CC1)[C@@H](O)CO2 ZINC000768445229 577555839 /nfs/dbraw/zinc/55/58/39/577555839.db2.gz GNYJMUQWGJSRMC-SFHVURJKSA-N 0 3 332.444 2.268 20 10 EECDHN [O-]c1cc2c(cc1CN1CCC[N@H+](C3CCCC3)CC1)[C@@H](O)CO2 ZINC000768445229 577555840 /nfs/dbraw/zinc/55/58/40/577555840.db2.gz GNYJMUQWGJSRMC-SFHVURJKSA-N 0 3 332.444 2.268 20 10 EECDHN COc1cccc([O-])c1CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000769191442 577572065 /nfs/dbraw/zinc/57/20/65/577572065.db2.gz ANAUQAZNRSDMNK-IRXDYDNUSA-N 0 3 347.503 2.391 20 10 EECDHN COCCS(=O)(=O)c1ccc(CNCc2cccc(C)c2O)cc1 ZINC000763401496 577720641 /nfs/dbraw/zinc/72/06/41/577720641.db2.gz HGUCPWVYSCFPFO-UHFFFAOYSA-N 0 3 349.452 2.411 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000756447413 577844397 /nfs/dbraw/zinc/84/43/97/577844397.db2.gz WIVXTDJFJYAOEH-OAHLLOKOSA-N 0 3 348.468 2.471 20 10 EECDHN Cc1ccc(O)c([C@@H](C)NCCNS(=O)(=O)Cc2ccccc2)c1 ZINC000756447413 577844398 /nfs/dbraw/zinc/84/43/98/577844398.db2.gz WIVXTDJFJYAOEH-OAHLLOKOSA-N 0 3 348.468 2.471 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](C)[C@H]3C)CC2)cc1 ZINC000741790610 578124328 /nfs/dbraw/zinc/12/43/28/578124328.db2.gz IYCSKHWKQDLUAB-DLBZAZTESA-N 0 3 345.487 2.464 20 10 EECDHN CCOCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891247326 676241785 /nfs/dbraw/zinc/24/17/85/676241785.db2.gz IFCBCOCEQNFCKG-KRWDZBQOSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\[C@H]2CCCO2)N(C)C)cc1 ZINC000891246933 676242350 /nfs/dbraw/zinc/24/23/50/676242350.db2.gz FQFGMYCPOYJTKU-ZHJNCLIFSA-N 0 3 331.460 2.207 20 10 EECDHN Cc1[nH]c(=O)ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253022 676249071 /nfs/dbraw/zinc/24/90/71/676249071.db2.gz PCMNAUDGEPOTOK-KRWDZBQOSA-N 0 3 342.443 2.194 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnc(F)c2)N(C)C)cc1 ZINC000891254775 676251699 /nfs/dbraw/zinc/25/16/99/676251699.db2.gz JEPRKTBQDGXCAO-MRXNPFEDSA-N 0 3 330.407 2.319 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1F ZINC000892485773 680089468 /nfs/dbraw/zinc/08/94/68/680089468.db2.gz NJUKKASBZCXXCP-SJORKVTESA-N 0 3 334.439 2.270 20 10 EECDHN COC(=O)c1c(CNCC2(CO)CCC2)c2cc(F)ccc2n1C ZINC000894443523 682897094 /nfs/dbraw/zinc/89/70/94/682897094.db2.gz DEPYKIFFXKZJHX-UHFFFAOYSA-N 0 3 334.391 2.356 20 10 EECDHN CN(Cc1cc(F)cc(F)c1[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894769369 683076486 /nfs/dbraw/zinc/07/64/86/683076486.db2.gz FNAPBUPWXHTTGX-INIZCTEOSA-N 0 3 339.430 2.271 20 10 EECDHN CN(Cc1cc(F)cc(F)c1[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894769369 683076488 /nfs/dbraw/zinc/07/64/88/683076488.db2.gz FNAPBUPWXHTTGX-INIZCTEOSA-N 0 3 339.430 2.271 20 10 EECDHN CCO[C@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000895295622 684455386 /nfs/dbraw/zinc/45/53/86/684455386.db2.gz XNZFNKDFQFCFBD-BPQIPLTHSA-N 0 3 348.491 2.222 20 10 EECDHN CC[C@H]1COCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101355 693606242 /nfs/dbraw/zinc/60/62/42/693606242.db2.gz JPDAUYIXWGPOMF-FUHWJXTLSA-N 0 3 348.491 2.176 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](F)C2)N(C)C)cc1 ZINC000899099011 693611292 /nfs/dbraw/zinc/61/12/92/693611292.db2.gz UMCPNIQOQDZEIX-RDJZCZTQSA-N 0 3 336.455 2.499 20 10 EECDHN CO[C@@H](C)CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100542 693612873 /nfs/dbraw/zinc/61/28/73/693612873.db2.gz AKOCNJIGPFHPAB-WMLDXEAASA-N 0 3 336.480 2.032 20 10 EECDHN CCN(CC)c1ccc(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)cc1 ZINC001272916719 1193602558 /nfs/dbraw/zinc/60/25/58/1193602558.db2.gz KGKJBFMKGBPTQM-HXUWFJFHSA-N 0 3 345.487 2.214 20 10 EECDHN CC(C)=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272619321 1190933812 /nfs/dbraw/zinc/93/38/12/1190933812.db2.gz UEMKYFQPCGZZJY-FQEVSTJZSA-N 0 3 344.455 2.409 20 10 EECDHN CC(C)=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272619321 1190933813 /nfs/dbraw/zinc/93/38/13/1190933813.db2.gz UEMKYFQPCGZZJY-FQEVSTJZSA-N 0 3 344.455 2.409 20 10 EECDHN CC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000794791868 1197997898 /nfs/dbraw/zinc/99/78/98/1197997898.db2.gz JTTFCTBGDSDQNQ-OAHLLOKOSA-N 0 3 326.462 2.165 20 10 EECDHN CC(C)CC[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000876713235 1199734846 /nfs/dbraw/zinc/73/48/46/1199734846.db2.gz HNOSNZVVOQSFBM-SFHVURJKSA-N 0 3 333.476 2.245 20 10 EECDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000876729727 1199743658 /nfs/dbraw/zinc/74/36/58/1199743658.db2.gz VMVBGESQWURAPB-IBGZPJMESA-N 0 3 347.503 2.275 20 10 EECDHN CCCn1nccc1NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000878359761 1200420000 /nfs/dbraw/zinc/42/00/00/1200420000.db2.gz CAXAVZSOWACCID-LBPRGKRZSA-N 0 3 332.404 2.297 20 10 EECDHN C[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1O ZINC000868783478 1201878842 /nfs/dbraw/zinc/87/88/42/1201878842.db2.gz MOICTWIFSPRZFQ-UKRRQHHQSA-N 0 3 333.432 2.006 20 10 EECDHN CC(C)(C)OC(=O)N1CCOC[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000924899435 1206048024 /nfs/dbraw/zinc/04/80/24/1206048024.db2.gz FLKNMNYRHNABST-MRXNPFEDSA-N 0 3 348.443 2.347 20 10 EECDHN C[C@H]1[C@H](NC(=O)c2cccc(O)c2O)CCN1Cc1ccccc1 ZINC000383382418 1249526572 /nfs/dbraw/zinc/52/65/72/1249526572.db2.gz BTPOFDJGNYVEGD-XJKSGUPXSA-N 0 3 326.396 2.491 20 10 EECDHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903299840 1240205289 /nfs/dbraw/zinc/20/52/89/1240205289.db2.gz SQEXNRJENRADLX-FDQGKXFDSA-N 0 3 338.423 2.117 20 10 EECDHN C[C@@](O)(CNCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000853121344 1292290442 /nfs/dbraw/zinc/29/04/42/1292290442.db2.gz COUCJBIWAOQMNB-OAHLLOKOSA-N 0 3 332.366 2.051 20 10 EECDHN Cc1cc(O[C@@H](C)C2C[NH2+]C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218193083 1297594288 /nfs/dbraw/zinc/59/42/88/1297594288.db2.gz HBEGEXGTSIFFOS-NSHDSACASA-N 0 3 337.375 2.463 20 10 EECDHN [O-]c1c(F)cc(Cl)cc1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222691250 1299793298 /nfs/dbraw/zinc/79/32/98/1299793298.db2.gz GSBZNWKQKDHDIW-INIZCTEOSA-N 0 3 327.831 2.102 20 10 EECDHN [O-]c1c(F)cc(Cl)cc1CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222691250 1299793304 /nfs/dbraw/zinc/79/33/04/1299793304.db2.gz GSBZNWKQKDHDIW-INIZCTEOSA-N 0 3 327.831 2.102 20 10 EECDHN Cc1cc(CN2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)ccc1N(C)C ZINC001276929141 1300315024 /nfs/dbraw/zinc/31/50/24/1300315024.db2.gz MEQZFEYOCHTRGT-XLIONFOSSA-N 0 3 325.456 2.424 20 10 EECDHN C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000783505660 1304289287 /nfs/dbraw/zinc/28/92/87/1304289287.db2.gz VOYRJRIOMMZJNU-CQSZACIVSA-N 0 3 334.441 2.162 20 10 EECDHN CC[C@H]1CN(Cc2c([O-])cc(OC)cc2Br)CC[NH2+]1 ZINC001235730985 1305357738 /nfs/dbraw/zinc/35/77/38/1305357738.db2.gz SFHGWAYPYGQOBY-JTQLQIEISA-N 0 3 329.238 2.347 20 10 EECDHN COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236836603 1305694249 /nfs/dbraw/zinc/69/42/49/1305694249.db2.gz LLPYVAWLTFWXCY-QGZVFWFLSA-N 0 3 328.412 2.272 20 10 EECDHN COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236836603 1305694251 /nfs/dbraw/zinc/69/42/51/1305694251.db2.gz LLPYVAWLTFWXCY-QGZVFWFLSA-N 0 3 328.412 2.272 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1CCC(OCC(=O)N2CCCC2)CC1 ZINC001237495706 1305959464 /nfs/dbraw/zinc/95/94/64/1305959464.db2.gz UPAKDFFPVVBUKO-UHFFFAOYSA-N 0 3 332.444 2.304 20 10 EECDHN CO[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000831528178 1314596694 /nfs/dbraw/zinc/59/66/94/1314596694.db2.gz MJYGDIPAZFOQBO-QAPCUYQASA-N 0 3 333.476 2.068 20 10 EECDHN CCN1CCN(c2ccc(CN3CC[C@H](O)C(F)(F)C3)cc2)CC1 ZINC001140304275 1314862351 /nfs/dbraw/zinc/86/23/51/1314862351.db2.gz LOOVWPBTBRWTNV-KRWDZBQOSA-N 0 3 339.430 2.030 20 10 EECDHN CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1ccc(C)cc1[O-] ZINC001140953829 1314995688 /nfs/dbraw/zinc/99/56/88/1314995688.db2.gz HGIZMBDCXIBQEG-UHFFFAOYSA-N 0 3 337.416 2.409 20 10 EECDHN COc1cc(O)c(CN2CC[C@]3(C2)CC(F)(F)CO3)c(OC)c1 ZINC001141029350 1315020881 /nfs/dbraw/zinc/02/08/81/1315020881.db2.gz QRKMHORGXGIFLV-OAHLLOKOSA-N 0 3 329.343 2.410 20 10 EECDHN Cc1cc(N(C)C)ccc1CN[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000840935484 1315440440 /nfs/dbraw/zinc/44/04/40/1315440440.db2.gz QWEBKVGKHAWNSF-KSSFIOAISA-N 0 3 341.459 2.078 20 10 EECDHN CCOC(=O)CC1CC[NH+](Cc2ccc(CC(=O)OC)cc2[O-])CC1 ZINC001249177877 1317018486 /nfs/dbraw/zinc/01/84/86/1317018486.db2.gz KWVRJNVQXQPPNN-UHFFFAOYSA-N 0 3 349.427 2.273 20 10 EECDHN CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249214680 1317024046 /nfs/dbraw/zinc/02/40/46/1317024046.db2.gz QCBMXGFZULHVGG-MRXNPFEDSA-N 0 3 349.427 2.273 20 10 EECDHN CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249214680 1317024057 /nfs/dbraw/zinc/02/40/57/1317024057.db2.gz QCBMXGFZULHVGG-MRXNPFEDSA-N 0 3 349.427 2.273 20 10 EECDHN COCCN1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249230775 1317030079 /nfs/dbraw/zinc/03/00/79/1317030079.db2.gz UCAICAPRLXZRLI-UHFFFAOYSA-N 0 3 332.444 2.340 20 10 EECDHN O=C(N1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1)C(F)(F)F ZINC001255988281 1318588019 /nfs/dbraw/zinc/58/80/19/1318588019.db2.gz LPGPSCZRNWSMGX-UHFFFAOYSA-N 0 3 328.334 2.304 20 10 EECDHN O=C(N1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1)C(F)(F)F ZINC001255988281 1318588027 /nfs/dbraw/zinc/58/80/27/1318588027.db2.gz LPGPSCZRNWSMGX-UHFFFAOYSA-N 0 3 328.334 2.304 20 10 EECDHN COc1ccc(CN2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001203627613 1321927083 /nfs/dbraw/zinc/92/70/83/1321927083.db2.gz LBSUXDAJWHZDJI-UHFFFAOYSA-N 0 3 327.428 2.156 20 10 EECDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204277252 1322101875 /nfs/dbraw/zinc/10/18/75/1322101875.db2.gz XDKJNNKWKLCBLT-OKILXGFUSA-N 0 3 334.416 2.397 20 10 EECDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204277252 1322101879 /nfs/dbraw/zinc/10/18/79/1322101879.db2.gz XDKJNNKWKLCBLT-OKILXGFUSA-N 0 3 334.416 2.397 20 10 EECDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001262273007 1322268039 /nfs/dbraw/zinc/26/80/39/1322268039.db2.gz LPOIMSADXFUJAG-GOSISDBHSA-N 0 3 349.450 2.151 20 10 EECDHN COc1ccc(N2CCN(C[C@@H]3CCCN(C(C)=O)C3)CC2)c(C)c1 ZINC001208975495 1324745169 /nfs/dbraw/zinc/74/51/69/1324745169.db2.gz LRCBOYIAMVIXLN-SFHVURJKSA-N 0 3 345.487 2.384 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC001308712009 1331601758 /nfs/dbraw/zinc/60/17/58/1331601758.db2.gz YGFRQZYSTSPKRX-NSHDSACASA-N 0 3 346.349 2.210 20 10 EECDHN COc1cc(C)c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC001308712009 1331601761 /nfs/dbraw/zinc/60/17/61/1331601761.db2.gz YGFRQZYSTSPKRX-NSHDSACASA-N 0 3 346.349 2.210 20 10 EECDHN COC(=O)CC1(NCc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC001331499224 1335023776 /nfs/dbraw/zinc/02/37/76/1335023776.db2.gz RGJRDYNITBSIRB-UHFFFAOYSA-N 0 3 342.386 2.233 20 10 EECDHN CN(C)CCN(CCc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC001578417374 1344276074 /nfs/dbraw/zinc/27/60/74/1344276074.db2.gz ZUBHKQWVXIUMAQ-UHFFFAOYSA-N 0 3 325.456 2.444 20 10 EECDHN CCC1(CN2CCN(c3ccc(OCCOC)cc3)CC2)COC1 ZINC001202964715 1372523762 /nfs/dbraw/zinc/52/37/62/1372523762.db2.gz PMDKOWCDVMDJIR-UHFFFAOYSA-N 0 3 334.460 2.260 20 10 EECDHN C[S@](=O)C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000154718154 769077397 /nfs/dbraw/zinc/07/73/97/769077397.db2.gz JZWPUTMZNXTHAL-QKFKETGDSA-N 0 3 333.409 2.330 20 10 EECDHN CC[C@@H](C(=O)NCCC1=CCN(c2cc(C)nc(C)n2)CC1)N(C)C ZINC001089834581 777424730 /nfs/dbraw/zinc/42/47/30/777424730.db2.gz JCIVIEQBYCDFJD-KRWDZBQOSA-N 0 3 345.491 2.076 20 10 EECDHN Nc1ccc(Cc2nc(C(=O)NCCN3CCCC3)cs2)cc1 ZINC000844166972 788882267 /nfs/dbraw/zinc/88/22/67/788882267.db2.gz XGUREKNLOUYQKR-UHFFFAOYSA-N 0 3 330.457 2.142 20 10 EECDHN C[C@H]1CCN(CCNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000844187295 788894588 /nfs/dbraw/zinc/89/45/88/788894588.db2.gz DISCBAYVMQEKQZ-ZDUSSCGKSA-N 0 3 344.484 2.388 20 10 EECDHN O=C(c1cccc(O)c1[O-])N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001148212957 792245608 /nfs/dbraw/zinc/24/56/08/792245608.db2.gz RDVCIKXYVNREOC-UHFFFAOYSA-N 0 3 348.443 2.062 20 10 EECDHN CCOCCOC[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000790760554 808887963 /nfs/dbraw/zinc/88/79/63/808887963.db2.gz NOAOEMSSSFWJDL-SCRDCRAPSA-N 0 3 327.396 2.083 20 10 EECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CCSC)cc1F ZINC000167743995 463664320 /nfs/dbraw/zinc/66/43/20/463664320.db2.gz QDRVHEAXMIGXNQ-AWEZNQCLSA-N 0 3 327.469 2.369 20 10 EECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)CC2 ZINC000296636201 465227825 /nfs/dbraw/zinc/22/78/25/465227825.db2.gz BSHCFZHSZARNSY-JSGCOSHPSA-N 0 3 330.350 2.232 20 10 EECDHN Cn1ncc2c1CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000042797090 463598087 /nfs/dbraw/zinc/59/80/87/463598087.db2.gz WHRDXZUWNOFSRU-GOSISDBHSA-N 0 3 326.444 2.424 20 10 EECDHN Cc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c([O-])c1O ZINC000177673236 463763179 /nfs/dbraw/zinc/76/31/79/463763179.db2.gz PHARBESWOUMYFH-UHFFFAOYSA-N 0 3 344.411 2.277 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C)[C@H]1CC)cc2=O ZINC000185620224 463851171 /nfs/dbraw/zinc/85/11/71/463851171.db2.gz NJNHDDSVGCRAHQ-BXUZGUMPSA-N 0 3 332.404 2.232 20 10 EECDHN CCN(Cc1ccccc1)c1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278342396 463962643 /nfs/dbraw/zinc/96/26/43/463962643.db2.gz HUDKBBMWIXXXHX-PMACEKPBSA-N 0 3 326.440 2.251 20 10 EECDHN CN1CCC([N@H+](CCO)Cc2cc(Br)ccc2[O-])CC1 ZINC000269360246 463964180 /nfs/dbraw/zinc/96/41/80/463964180.db2.gz OQPPITIZPKCXSS-UHFFFAOYSA-N 0 3 343.265 2.043 20 10 EECDHN CN1CCC([N@@H+](CCO)Cc2cc(Br)ccc2[O-])CC1 ZINC000269360246 463964183 /nfs/dbraw/zinc/96/41/83/463964183.db2.gz OQPPITIZPKCXSS-UHFFFAOYSA-N 0 3 343.265 2.043 20 10 EECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000180233002 464270771 /nfs/dbraw/zinc/27/07/71/464270771.db2.gz OFYGNCMOUBROCJ-CRAIPNDOSA-N 0 3 334.460 2.334 20 10 EECDHN CCCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000180233002 464270774 /nfs/dbraw/zinc/27/07/74/464270774.db2.gz OFYGNCMOUBROCJ-CRAIPNDOSA-N 0 3 334.460 2.334 20 10 EECDHN COCCOC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271072292 464278217 /nfs/dbraw/zinc/27/82/17/464278217.db2.gz FLYBRJWTFUYNKU-UHFFFAOYSA-N 0 3 325.405 2.037 20 10 EECDHN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000271596116 464339357 /nfs/dbraw/zinc/33/93/57/464339357.db2.gz YWXALHSDENEQFK-DOMZBBRYSA-N 0 3 332.366 2.487 20 10 EECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c([O-])c1 ZINC000294400784 464489568 /nfs/dbraw/zinc/48/95/68/464489568.db2.gz SMBYMDOMZZZZBS-KGLIPLIRSA-N 0 3 342.443 2.218 20 10 EECDHN CCCC[N@H+](CCC(=O)N1CCN(C)CC1)Cc1ccccc1[O-] ZINC000282433270 464817225 /nfs/dbraw/zinc/81/72/25/464817225.db2.gz KGXAVTPQCRVDTE-UHFFFAOYSA-N 0 3 333.476 2.158 20 10 EECDHN CCCC[N@@H+](CCC(=O)N1CCN(C)CC1)Cc1ccccc1[O-] ZINC000282433270 464817227 /nfs/dbraw/zinc/81/72/27/464817227.db2.gz KGXAVTPQCRVDTE-UHFFFAOYSA-N 0 3 333.476 2.158 20 10 EECDHN CN(C)c1ccc(CN(C[C@H](O)COC2CCOCC2)C2CC2)cc1 ZINC000268021488 464948093 /nfs/dbraw/zinc/94/80/93/464948093.db2.gz DJRZSAPXMILITL-IBGZPJMESA-N 0 3 348.487 2.274 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1OC ZINC000361993335 466465950 /nfs/dbraw/zinc/46/59/50/466465950.db2.gz XBTDTQDMFANULB-AWEZNQCLSA-N 0 3 329.400 2.155 20 10 EECDHN FC(F)CN1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000377890386 467160165 /nfs/dbraw/zinc/16/01/65/467160165.db2.gz UWDMTAPVBLYNIF-UHFFFAOYSA-N 0 3 339.430 2.296 20 10 EECDHN COCCc1noc(CC2CC[NH+](Cc3ccccc3[O-])CC2)n1 ZINC000529641567 467890299 /nfs/dbraw/zinc/89/02/99/467890299.db2.gz UYNZNDVGSFSSMZ-UHFFFAOYSA-N 0 3 331.416 2.419 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000124586122 490643120 /nfs/dbraw/zinc/64/31/20/490643120.db2.gz DFIUDYBEPLFURA-SJLPKXTDSA-N 0 3 330.476 2.378 20 10 EECDHN CN(CCNC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000732886363 577196255 /nfs/dbraw/zinc/19/62/55/577196255.db2.gz PEKRZKSPUHYDRO-UHFFFAOYSA-N 0 3 348.516 2.133 20 10 EECDHN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000777220052 577475197 /nfs/dbraw/zinc/47/51/97/577475197.db2.gz OMUWPADDZLLRAF-MRXNPFEDSA-N 0 3 346.519 2.173 20 10 EECDHN [O-]c1cc2c(cc1CN1CCC([NH+]3CCCCC3)CC1)[C@@H](O)CO2 ZINC000768440580 577555616 /nfs/dbraw/zinc/55/56/16/577555616.db2.gz QSEAREVKIMIDFU-SFHVURJKSA-N 0 3 332.444 2.268 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1[O-] ZINC000761214331 577679414 /nfs/dbraw/zinc/67/94/14/577679414.db2.gz FSEAOENVYJOITD-LBPRGKRZSA-N 0 3 333.837 2.111 20 10 EECDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762721869 577706580 /nfs/dbraw/zinc/70/65/80/577706580.db2.gz PBBDSCCBEYCDHV-FQEVSTJZSA-N 0 3 341.455 2.199 20 10 EECDHN COCCNC(=O)[C@H](Cc1ccccc1)NCc1cc(C)ccc1O ZINC000752099833 577766230 /nfs/dbraw/zinc/76/62/30/577766230.db2.gz DLTAIWLBMKWBJA-SFHVURJKSA-N 0 3 342.439 2.164 20 10 EECDHN COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(C)ccc1[O-] ZINC000752099833 577766231 /nfs/dbraw/zinc/76/62/31/577766231.db2.gz DLTAIWLBMKWBJA-SFHVURJKSA-N 0 3 342.439 2.164 20 10 EECDHN C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756394201 577843282 /nfs/dbraw/zinc/84/32/82/577843282.db2.gz CMBLRIQDUOXQBK-GFCCVEGCSA-N 0 3 327.419 2.347 20 10 EECDHN C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000756550848 577846489 /nfs/dbraw/zinc/84/64/89/577846489.db2.gz SUNZXNTUCQHUIS-STQMWFEESA-N 0 3 339.867 2.284 20 10 EECDHN C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756574619 577847134 /nfs/dbraw/zinc/84/71/34/577847134.db2.gz DIMRDPBEMODYLV-OCCSQVGLSA-N 0 3 339.430 2.490 20 10 EECDHN C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756574617 577847148 /nfs/dbraw/zinc/84/71/48/577847148.db2.gz DIMRDPBEMODYLV-JSGCOSHPSA-N 0 3 339.430 2.490 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000740882421 578108712 /nfs/dbraw/zinc/10/87/12/578108712.db2.gz IRDGSAVFJOGVHL-HOTGVXAUSA-N 0 3 331.460 2.074 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H](O)c2ccccc2)N(C)C)cc1 ZINC000891246349 676240316 /nfs/dbraw/zinc/24/03/16/676240316.db2.gz BEDDPTYPJHKTJV-RBUKOAKNSA-N 0 3 341.455 2.205 20 10 EECDHN Cc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)o1 ZINC000891248478 676242756 /nfs/dbraw/zinc/24/27/56/676242756.db2.gz NEOLVOOTHYHRGM-MRXNPFEDSA-N 0 3 330.432 2.390 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncc(F)cc2F)N(C)C)cc1 ZINC000891248027 676242962 /nfs/dbraw/zinc/24/29/62/676242962.db2.gz KGJYGQIXVWHDHA-MRXNPFEDSA-N 0 3 348.397 2.459 20 10 EECDHN CCOC1CC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891249797 676244622 /nfs/dbraw/zinc/24/46/22/676244622.db2.gz SWOJNMBECIDPMW-VMWRSERWSA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CC[C@H]2CCCO2)N(C)C)cc1 ZINC000891256001 676252005 /nfs/dbraw/zinc/25/20/05/676252005.db2.gz VEBNYMJDLQULJP-QZTJIDSGSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@H]2CCCO2)N(C)C)cc1 ZINC000891748528 676814536 /nfs/dbraw/zinc/81/45/36/676814536.db2.gz PTBMFMJHVWTTLN-MSOLQXFVSA-N 0 3 348.491 2.224 20 10 EECDHN CNC(=O)C[C@@H](NCc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000894196639 681208825 /nfs/dbraw/zinc/20/88/25/681208825.db2.gz XLUUPDILCMICDH-OAHLLOKOSA-N 0 3 344.411 2.376 20 10 EECDHN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001272765326 1193487105 /nfs/dbraw/zinc/48/71/05/1193487105.db2.gz HHMQXQIDEGZFNQ-IAGOWNOFSA-N 0 3 332.444 2.302 20 10 EECDHN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001272765326 1193487108 /nfs/dbraw/zinc/48/71/08/1193487108.db2.gz HHMQXQIDEGZFNQ-IAGOWNOFSA-N 0 3 332.444 2.302 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765336 1193487160 /nfs/dbraw/zinc/48/71/60/1193487160.db2.gz HHUKQRSNDPIXLG-KUHUBIRLSA-N 0 3 330.428 2.103 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765336 1193487163 /nfs/dbraw/zinc/48/71/63/1193487163.db2.gz HHUKQRSNDPIXLG-KUHUBIRLSA-N 0 3 330.428 2.103 20 10 EECDHN COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001272766600 1193488364 /nfs/dbraw/zinc/48/83/64/1193488364.db2.gz RKISFPAGFHYLHD-KRWDZBQOSA-N 0 3 346.471 2.455 20 10 EECDHN COc1cccc(CNC(=O)NC[C@H]2NCCc3ccccc32)c1O ZINC000841998968 1188217369 /nfs/dbraw/zinc/21/73/69/1188217369.db2.gz XHBXBMHUFNLFEW-MRXNPFEDSA-N 0 3 341.411 2.087 20 10 EECDHN CC[C@H](C)N1C(=O)C[C@@]2(CCCN(Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902351 1193597413 /nfs/dbraw/zinc/59/74/13/1193597413.db2.gz CROBWXRDBIZILI-ORAYPTAESA-N 0 3 346.427 2.237 20 10 EECDHN CONC(=O)C1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000872792780 1198389490 /nfs/dbraw/zinc/38/94/90/1198389490.db2.gz ZUEXHDZACBKXCP-UHFFFAOYSA-N 0 3 344.411 2.444 20 10 EECDHN COc1ccc(CN[C@H]2CC(=O)N(C(C)C)C2)cc1Cn1cccn1 ZINC000873057618 1198486049 /nfs/dbraw/zinc/48/60/49/1198486049.db2.gz WBPFJJPOWJYBCD-KRWDZBQOSA-N 0 3 342.443 2.039 20 10 EECDHN Cc1cccc(O)c1CNCc1ccccc1S(=O)(=O)N(C)C ZINC000876921548 1199819455 /nfs/dbraw/zinc/81/94/55/1199819455.db2.gz HEZCVMFETCFWDE-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877147679 1199870112 /nfs/dbraw/zinc/87/01/12/1199870112.db2.gz ZJZRKLMXPBDCPJ-HUUCEWRRSA-N 0 3 333.476 2.041 20 10 EECDHN CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001274663214 1205120821 /nfs/dbraw/zinc/12/08/21/1205120821.db2.gz CRYZSCWPEXCDJQ-HXUWFJFHSA-N 0 3 340.423 2.226 20 10 EECDHN CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001274663214 1205120822 /nfs/dbraw/zinc/12/08/22/1205120822.db2.gz CRYZSCWPEXCDJQ-HXUWFJFHSA-N 0 3 340.423 2.226 20 10 EECDHN COc1ccc(N2CCC3(CCN(CCN(C)C)C3=O)CC2)c(C)c1 ZINC001274875404 1205194852 /nfs/dbraw/zinc/19/48/52/1205194852.db2.gz UVXMGADMCDKUMO-UHFFFAOYSA-N 0 3 345.487 2.384 20 10 EECDHN Cc1cc(CN2CC3(CN(CCn4ccnc4)C3)C2)ccc1N(C)C ZINC001275360600 1205320308 /nfs/dbraw/zinc/32/03/08/1205320308.db2.gz CWMXGDMGGXZEMQ-UHFFFAOYSA-N 0 3 339.487 2.075 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)CN(C3CCC3)C2=O)N(C)C)cc1 ZINC000900185574 1234073910 /nfs/dbraw/zinc/07/39/10/1234073910.db2.gz OUPRWSSCZBOWNS-KRWDZBQOSA-N 0 3 344.459 2.172 20 10 EECDHN COc1ccc(N2CCCN(C[C@@H](O)c3ccccn3)CC2)cc1 ZINC000851733059 1277734710 /nfs/dbraw/zinc/73/47/10/1277734710.db2.gz ITZHRXSQVZMGAL-LJQANCHMSA-N 0 3 327.428 2.336 20 10 EECDHN CCOC(=O)[C@H]1C[C@@H]2CN(Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2N1 ZINC001235281702 1305176939 /nfs/dbraw/zinc/17/69/39/1305176939.db2.gz FVHLLJZFWFQDLF-XYPHTWIQSA-N 0 3 346.471 2.415 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)cccc21 ZINC001218326413 1297632699 /nfs/dbraw/zinc/63/26/99/1297632699.db2.gz PBEIIIMIMJOXID-CKUKBARFSA-N 0 3 335.359 2.154 20 10 EECDHN O=C(NCC1COC1)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441778 1303031454 /nfs/dbraw/zinc/03/14/54/1303031454.db2.gz OXZYPEOQYVILKP-XLIONFOSSA-N 0 3 344.455 2.147 20 10 EECDHN O=C(NCC1COC1)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441778 1303031456 /nfs/dbraw/zinc/03/14/56/1303031456.db2.gz OXZYPEOQYVILKP-XLIONFOSSA-N 0 3 344.455 2.147 20 10 EECDHN COc1ccc(Br)c(CN2CCC[C@@H](CO)C2)c1O ZINC001231548281 1303842018 /nfs/dbraw/zinc/84/20/18/1303842018.db2.gz RIDQTXHLCVWMBY-SNVBAGLBSA-N 0 3 330.222 2.368 20 10 EECDHN COCCN1C[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2C1=O ZINC001231588623 1303856661 /nfs/dbraw/zinc/85/66/61/1303856661.db2.gz NMQRLEZDMIOKDZ-RDJZCZTQSA-N 0 3 340.423 2.082 20 10 EECDHN COCCN1C[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2C1=O ZINC001231588623 1303856664 /nfs/dbraw/zinc/85/66/64/1303856664.db2.gz NMQRLEZDMIOKDZ-RDJZCZTQSA-N 0 3 340.423 2.082 20 10 EECDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)N[C@H](C)c3ncc[nH]3)C2)c(O)c1 ZINC001277567420 1303919958 /nfs/dbraw/zinc/91/99/58/1303919958.db2.gz GPMHLKORYJXQAP-HIFRSBDPSA-N 0 3 340.427 2.123 20 10 EECDHN C[NH+]1CCC(CN2CCN(Cc3ccc(F)c(F)c3[O-])CC2)CC1 ZINC001233079101 1304354463 /nfs/dbraw/zinc/35/44/63/1304354463.db2.gz VVKZSRVCUSDLEB-UHFFFAOYSA-N 0 3 339.430 2.130 20 10 EECDHN COC(=O)CO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC001234577893 1304975358 /nfs/dbraw/zinc/97/53/58/1304975358.db2.gz JLEPSJWRLCZLER-HNNXBMFYSA-N 0 3 345.395 2.318 20 10 EECDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC001234577893 1304975362 /nfs/dbraw/zinc/97/53/62/1304975362.db2.gz JLEPSJWRLCZLER-HNNXBMFYSA-N 0 3 345.395 2.318 20 10 EECDHN C[C@@H]1CN(Cc2ccc(I)cc2[O-])C[C@H](C)[NH2+]1 ZINC001235903182 1305440139 /nfs/dbraw/zinc/44/01/39/1305440139.db2.gz UFRZWROOQSCJTI-AOOOYVTPSA-N 0 3 346.212 2.179 20 10 EECDHN COc1cc(CN2CC(N3CCCC3)C2)c(O)cc1Br ZINC001236752627 1305659377 /nfs/dbraw/zinc/65/93/77/1305659377.db2.gz DJCNWSANHQTVGB-UHFFFAOYSA-N 0 3 341.249 2.443 20 10 EECDHN COc1cc(C)c(CN2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001236812943 1305687721 /nfs/dbraw/zinc/68/77/21/1305687721.db2.gz HXYMJPAVCZNIJT-UHFFFAOYSA-N 0 3 341.455 2.465 20 10 EECDHN C[C@H]1CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C2(CC2)C1 ZINC001237221316 1305855860 /nfs/dbraw/zinc/85/58/60/1305855860.db2.gz UBIONAUPHZCXSX-OAHLLOKOSA-N 0 3 334.485 2.296 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1 ZINC001237488753 1305956162 /nfs/dbraw/zinc/95/61/62/1305956162.db2.gz OTWLNCDCQLCSMS-WMZOPIPTSA-N 0 3 337.423 2.186 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1 ZINC001237488753 1305956163 /nfs/dbraw/zinc/95/61/63/1305956163.db2.gz OTWLNCDCQLCSMS-WMZOPIPTSA-N 0 3 337.423 2.186 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 ZINC001237489054 1305956708 /nfs/dbraw/zinc/95/67/08/1305956708.db2.gz UTCUNGIATQGWQS-GJZGRUSLSA-N 0 3 326.396 2.498 20 10 EECDHN CCN1CCN(c2ccc(CN3CCCC[C@H]3C(=O)OC)cc2)CC1 ZINC001140302517 1314861590 /nfs/dbraw/zinc/86/15/90/1314861590.db2.gz SXBIFLKRQIHKRP-IBGZPJMESA-N 0 3 345.487 2.356 20 10 EECDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCCN(C)CC1 ZINC000840490143 1315370763 /nfs/dbraw/zinc/37/07/63/1315370763.db2.gz WVPXXQLOOUTFBJ-MRXNPFEDSA-N 0 3 332.492 2.339 20 10 EECDHN CCCC[C@@H](O)CN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001252099046 1317554320 /nfs/dbraw/zinc/55/43/20/1317554320.db2.gz XYSAISXFTCVRHO-GOSISDBHSA-N 0 3 336.476 2.385 20 10 EECDHN COc1cccc(CN2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)c1O ZINC001203599600 1321920598 /nfs/dbraw/zinc/92/05/98/1321920598.db2.gz JLJCKMNHLZVYOW-KBPBESRZSA-N 0 3 334.416 2.452 20 10 EECDHN CCOc1cccc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001203609783 1321922478 /nfs/dbraw/zinc/92/24/78/1321922478.db2.gz KJYOBVHXCIQVTJ-LZLYRXPVSA-N 0 3 333.428 2.417 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001203623130 1321925246 /nfs/dbraw/zinc/92/52/46/1321925246.db2.gz JHMWAPFNTZWNAY-IRXDYDNUSA-N 0 3 330.428 2.376 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001203623130 1321925249 /nfs/dbraw/zinc/92/52/49/1321925249.db2.gz JHMWAPFNTZWNAY-IRXDYDNUSA-N 0 3 330.428 2.376 20 10 EECDHN CCO[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001204273707 1322099931 /nfs/dbraw/zinc/09/99/31/1322099931.db2.gz FZOLRIZQTCGISL-WMZOPIPTSA-N 0 3 331.416 2.053 20 10 EECDHN CCO[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001204273707 1322099938 /nfs/dbraw/zinc/09/99/38/1322099938.db2.gz FZOLRIZQTCGISL-WMZOPIPTSA-N 0 3 331.416 2.053 20 10 EECDHN COC(=O)CC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC001204341648 1322117300 /nfs/dbraw/zinc/11/73/00/1322117300.db2.gz JJNAZPQASVXGMO-UHFFFAOYSA-N 0 3 332.194 2.158 20 10 EECDHN COC(=O)CC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC001204341648 1322117308 /nfs/dbraw/zinc/11/73/08/1322117308.db2.gz JJNAZPQASVXGMO-UHFFFAOYSA-N 0 3 332.194 2.158 20 10 EECDHN COCCOc1ccc(N2CCN(Cc3ccc[nH]c3=O)CC2)cc1 ZINC001207010868 1323786250 /nfs/dbraw/zinc/78/62/50/1323786250.db2.gz YYEWBROQURJENL-UHFFFAOYSA-N 0 3 343.427 2.135 20 10 EECDHN COc1cc(C)c(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c([O-])c1 ZINC001308872996 1331607184 /nfs/dbraw/zinc/60/71/84/1331607184.db2.gz PZIKHZBHWKAQPV-AWEZNQCLSA-N 0 3 333.432 2.089 20 10 EECDHN COCC[C@@H](N)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001578998417 1344328749 /nfs/dbraw/zinc/32/87/49/1344328749.db2.gz XIIYOHPWEUILCI-GOSISDBHSA-N 0 3 329.444 2.117 20 10 EECDHN CN(C)c1ccc(C[NH2+][C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001591031536 1349432386 /nfs/dbraw/zinc/43/23/86/1349432386.db2.gz MQKUPWZJWPKQIA-QGZVFWFLSA-N 0 3 334.427 2.190 20 10 EECDHN CN(C)c1ccc(C[NH2+][C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001591031536 1349432391 /nfs/dbraw/zinc/43/23/91/1349432391.db2.gz MQKUPWZJWPKQIA-QGZVFWFLSA-N 0 3 334.427 2.190 20 10 EECDHN CN(C)c1ccc(C[NH2+]CCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001604704744 1350988701 /nfs/dbraw/zinc/98/87/01/1350988701.db2.gz WFNMJOYOICXUOV-UHFFFAOYSA-N 0 3 340.406 2.404 20 10 EECDHN CN(C)c1ccc(C[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001604704744 1350988703 /nfs/dbraw/zinc/98/87/03/1350988703.db2.gz WFNMJOYOICXUOV-UHFFFAOYSA-N 0 3 340.406 2.404 20 10 EECDHN C[C@H](C[S@@](C)=O)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000784652334 1371430915 /nfs/dbraw/zinc/43/09/15/1371430915.db2.gz UYHILDSNVQEMFF-JCQPUDPBSA-N 0 3 339.461 2.442 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(N)c2)N(C)C)cc1 ZINC001355639922 1373168772 /nfs/dbraw/zinc/16/87/72/1373168772.db2.gz LZNAGEMBCAAVHO-SFHVURJKSA-N 0 3 326.444 2.368 20 10 EECDHN CCN(CC)CC(=O)NCCC1=CCN(c2nc(C)ncc2C)CC1 ZINC001089835944 777476428 /nfs/dbraw/zinc/47/64/28/777476428.db2.gz NIPZCVAKHCYKTQ-UHFFFAOYSA-N 0 3 345.491 2.078 20 10 EECDHN COc1ccc(N2CCN(CCCc3cncn3C)CC2)cc1F ZINC000846815009 790639679 /nfs/dbraw/zinc/63/96/79/790639679.db2.gz WLYBPXNTRMWCBA-UHFFFAOYSA-N 0 3 332.423 2.323 20 10 EECDHN C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000817982093 785131880 /nfs/dbraw/zinc/13/18/80/785131880.db2.gz PLHGZGNRSBSEHT-MWLCHTKSSA-N 0 3 347.228 2.323 20 10 EECDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC[C@@H]1CCCO1 ZINC000818608218 785321178 /nfs/dbraw/zinc/32/11/78/785321178.db2.gz UAWFBNIXDRRVTF-SFHVURJKSA-N 0 3 333.476 2.258 20 10 EECDHN CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H](C)c2cc(OC)ccc2O)C1(C)C ZINC000828667886 787911072 /nfs/dbraw/zinc/91/10/72/787911072.db2.gz VXOGQODVNGJKFZ-BKGUAONASA-N 0 3 336.432 2.111 20 10 EECDHN Cc1ccc(O)c(CNCc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000824738654 788278586 /nfs/dbraw/zinc/27/85/86/788278586.db2.gz PTKSLEXRBIVLFO-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN NS(=O)(=O)[C@@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000785978924 806649859 /nfs/dbraw/zinc/64/98/59/806649859.db2.gz KKZLVQDGBYWQDX-QGZVFWFLSA-N 0 3 346.452 2.312 20 10 EECDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000789764293 808169570 /nfs/dbraw/zinc/16/95/70/808169570.db2.gz XRHNWNCGNXGQTA-LBPRGKRZSA-N 0 3 328.840 2.207 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000789764293 808169577 /nfs/dbraw/zinc/16/95/77/808169577.db2.gz XRHNWNCGNXGQTA-LBPRGKRZSA-N 0 3 328.840 2.207 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000806173941 811772679 /nfs/dbraw/zinc/77/26/79/811772679.db2.gz OXNTXVYZWFTDJA-WZRBSPASSA-N 0 3 327.421 2.494 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c1[O-] ZINC000808690503 812796175 /nfs/dbraw/zinc/79/61/75/812796175.db2.gz FAHYIUAONUVCTB-CYBMUJFWSA-N 0 3 339.867 2.169 20 10 EECDHN COc1ccc(N2CCCN(Cc3ccn(C)c(=O)c3)CC2)cc1 ZINC000052467063 214130257 /nfs/dbraw/zinc/13/02/57/214130257.db2.gz LINAEPVCVPWBIK-UHFFFAOYSA-N 0 3 327.428 2.106 20 10 EECDHN COc1cc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1OC ZINC000271112274 464280555 /nfs/dbraw/zinc/28/05/55/464280555.db2.gz QAERNCXEYPDWJP-SWLSCSKDSA-N 0 3 341.433 2.094 20 10 EECDHN CO[C@@]1(C)C[C@@H](NCC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000296371736 465174434 /nfs/dbraw/zinc/17/44/34/465174434.db2.gz SPVSTSGKVWXVRX-APWZRJJASA-N 0 3 333.476 2.162 20 10 EECDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296470964 465205471 /nfs/dbraw/zinc/20/54/71/465205471.db2.gz PLOGIFZQLBXZJK-HZSPNIEDSA-N 0 3 349.450 2.196 20 10 EECDHN Cc1cc(O)c(CN2CCCN(CC(=O)N3CCCC3)CC2)cc1C ZINC000129291216 462700295 /nfs/dbraw/zinc/70/02/95/462700295.db2.gz HGHGTCSXNATYBH-UHFFFAOYSA-N 0 3 345.487 2.139 20 10 EECDHN CCN1CCN([C@H]2CCN(Cc3ccc(N(C)C)c(F)c3)C2)CC1 ZINC000119593750 462913463 /nfs/dbraw/zinc/91/34/63/462913463.db2.gz CYOXQFIKFXSJRI-KRWDZBQOSA-N 0 3 334.483 2.104 20 10 EECDHN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2=O)n(C)n1 ZINC000186083769 463933449 /nfs/dbraw/zinc/93/34/49/463933449.db2.gz IFHYDWDCZFXRKK-SMDDNHRTSA-N 0 3 332.379 2.029 20 10 EECDHN CC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834058 463987265 /nfs/dbraw/zinc/98/72/65/463987265.db2.gz TUAASPILRLAELF-RISCZKNCSA-N 0 3 327.375 2.110 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1[O-] ZINC000279357575 464092359 /nfs/dbraw/zinc/09/23/59/464092359.db2.gz GRXMGUNWVXYYOI-IINYFYTJSA-N 0 3 330.222 2.093 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c1[O-] ZINC000187399687 464125573 /nfs/dbraw/zinc/12/55/73/464125573.db2.gz UCKPBFGCRDGJML-QMTHXVAHSA-N 0 3 330.222 2.265 20 10 EECDHN COCCN(CCN(C)C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000264162423 464288705 /nfs/dbraw/zinc/28/87/05/464288705.db2.gz JCWYZTUSHWRCEE-UHFFFAOYSA-N 0 3 344.459 2.139 20 10 EECDHN COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000264578196 464381806 /nfs/dbraw/zinc/38/18/06/464381806.db2.gz BNCNFCSIVOEGIT-OAHLLOKOSA-N 0 3 347.411 2.281 20 10 EECDHN COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000264578196 464381809 /nfs/dbraw/zinc/38/18/09/464381809.db2.gz BNCNFCSIVOEGIT-OAHLLOKOSA-N 0 3 347.411 2.281 20 10 EECDHN CCN1CCN(c2ccc(CNCc3ccc(CO)o3)cc2F)CC1 ZINC000174368028 464399816 /nfs/dbraw/zinc/39/98/16/464399816.db2.gz RCAAFTLKIGHTSC-UHFFFAOYSA-N 0 3 347.434 2.343 20 10 EECDHN CC(C)(CO)[C@H](NCc1cc2c(cc1O)OCO2)c1cccnc1 ZINC000293525991 464409646 /nfs/dbraw/zinc/40/96/46/464409646.db2.gz BJGZABGDRMPDSE-QGZVFWFLSA-N 0 3 330.384 2.365 20 10 EECDHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(CCOC)C2)cc1 ZINC000265488396 464578138 /nfs/dbraw/zinc/57/81/38/464578138.db2.gz ASICCKNWULOKDU-QGZVFWFLSA-N 0 3 348.491 2.053 20 10 EECDHN COC1CCN(c2ccc(CN(CC(N)=O)CC(C)C)cc2)CC1 ZINC000295612975 464902789 /nfs/dbraw/zinc/90/27/89/464902789.db2.gz VMQMXMKXHJCBCW-UHFFFAOYSA-N 0 3 333.476 2.245 20 10 EECDHN CO[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000363669903 466547797 /nfs/dbraw/zinc/54/77/97/466547797.db2.gz CYPFWRRHWDKQFV-GOSISDBHSA-N 0 3 333.476 2.212 20 10 EECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC2(CCOCC2)O1 ZINC000369315335 466725908 /nfs/dbraw/zinc/72/59/08/466725908.db2.gz SMRVPVOSSGLPAT-QGZVFWFLSA-N 0 3 346.471 2.293 20 10 EECDHN COC[C@]1([NH2+]Cc2cc3c(cc2[O-])OCO3)COc2ccccc2C1 ZINC000527801483 467664997 /nfs/dbraw/zinc/66/49/97/467664997.db2.gz SCEZZMWIKPWNOX-IBGZPJMESA-N 0 3 343.379 2.231 20 10 EECDHN COC[C@]1(NCc2cc3c(cc2O)OCO3)COc2ccccc2C1 ZINC000527801483 467664999 /nfs/dbraw/zinc/66/49/99/467664999.db2.gz SCEZZMWIKPWNOX-IBGZPJMESA-N 0 3 343.379 2.231 20 10 EECDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)Cn1cccn1 ZINC000731844564 577127370 /nfs/dbraw/zinc/12/73/70/577127370.db2.gz KANHDIDCLQPLJO-MRXNPFEDSA-N 0 3 327.384 2.245 20 10 EECDHN COCCN(C)CCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773363524 577336665 /nfs/dbraw/zinc/33/66/65/577336665.db2.gz NPTVBBLVHZCMPU-HNNXBMFYSA-N 0 3 336.480 2.081 20 10 EECDHN COc1cc(O)c(CN[C@@H]2CCN(C3CCCCC3)C2=O)cc1OC ZINC000776253375 577455705 /nfs/dbraw/zinc/45/57/05/577455705.db2.gz OCYXMNSBKSICFQ-OAHLLOKOSA-N 0 3 348.443 2.433 20 10 EECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1n1ccnc1 ZINC000768463633 577556399 /nfs/dbraw/zinc/55/63/99/577556399.db2.gz KRWCBFHRWJEYED-VMGRFDJRSA-N 0 3 329.400 2.098 20 10 EECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1n1ccnc1 ZINC000768463633 577556400 /nfs/dbraw/zinc/55/64/00/577556400.db2.gz KRWCBFHRWJEYED-VMGRFDJRSA-N 0 3 329.400 2.098 20 10 EECDHN CCOc1ccc(CN2CCSC[C@H]2CC(=O)OC)c(O)c1 ZINC000769469699 577578705 /nfs/dbraw/zinc/57/87/05/577578705.db2.gz CUXGBIGXJLJVHL-CYBMUJFWSA-N 0 3 325.430 2.271 20 10 EECDHN CCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000891245226 676238086 /nfs/dbraw/zinc/23/80/86/676238086.db2.gz AJBMLUXSGJXMTF-SFHVURJKSA-N 0 3 343.475 2.081 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2nn(C)cc2Cl)N(C)C)cc1 ZINC000891245800 676238991 /nfs/dbraw/zinc/23/89/91/676238991.db2.gz JUCAFVSUFGPBSX-OAHLLOKOSA-N 0 3 349.866 2.172 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccn2)N(C)C)cc1 ZINC000891249467 676243991 /nfs/dbraw/zinc/24/39/91/676243991.db2.gz SUVMMYXLBLOFAU-LJQANCHMSA-N 0 3 340.471 2.499 20 10 EECDHN CC1=C(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)SCCO1 ZINC000891249012 676245206 /nfs/dbraw/zinc/24/52/06/676245206.db2.gz OXXHFFOAFZANQP-MRXNPFEDSA-N 0 3 349.500 2.466 20 10 EECDHN COc1ccc(CN2CCC(NC(=O)C(C)C)CC2)c(O)c1OC ZINC000891617356 676725055 /nfs/dbraw/zinc/72/50/55/676725055.db2.gz SXTRLNWDDBKCGW-UHFFFAOYSA-N 0 3 336.432 2.146 20 10 EECDHN CC(C)N1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000177439268 681292497 /nfs/dbraw/zinc/29/24/97/681292497.db2.gz PCBFPHRXDPJPEH-QAPCUYQASA-N 0 3 331.460 2.183 20 10 EECDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(O)cc1 ZINC000296057666 684487059 /nfs/dbraw/zinc/48/70/59/684487059.db2.gz PDEYDPZZMFPHPC-DLBZAZTESA-N 0 3 327.380 2.486 20 10 EECDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(O)cc1 ZINC000296057666 684487063 /nfs/dbraw/zinc/48/70/63/684487063.db2.gz PDEYDPZZMFPHPC-DLBZAZTESA-N 0 3 327.380 2.486 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC(F)CC2)N(C)C)cc1 ZINC000899099312 693611547 /nfs/dbraw/zinc/61/15/47/693611547.db2.gz YSSKTCUFLAPWLB-QGZVFWFLSA-N 0 3 336.455 2.499 20 10 EECDHN CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273283921 1197951044 /nfs/dbraw/zinc/95/10/44/1197951044.db2.gz CHECWAYGSWPTNR-ZDUSSCGKSA-N 0 3 348.418 2.323 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]CCn1cc(Br)ccc1=O ZINC000877556458 1199964843 /nfs/dbraw/zinc/96/48/43/1199964843.db2.gz RKPJNRIUGFPBDQ-UHFFFAOYSA-N 0 3 337.217 2.415 20 10 EECDHN CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879648990 1201193867 /nfs/dbraw/zinc/19/38/67/1201193867.db2.gz IPUKZOWTIPQADH-CZUORRHYSA-N 0 3 344.411 2.441 20 10 EECDHN CC[C@H](C)[C@H](NCc1ccc(N2CCC(OC)CC2)cc1)C(N)=O ZINC000887055750 1204191018 /nfs/dbraw/zinc/19/10/18/1204191018.db2.gz KGLQTSXSTYLDAX-KSSFIOAISA-N 0 3 333.476 2.291 20 10 EECDHN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000778924254 1208404024 /nfs/dbraw/zinc/40/40/24/1208404024.db2.gz XXXSIARTMGBYIC-INIZCTEOSA-N 0 3 341.411 2.021 20 10 EECDHN COc1cc(C(=O)N[C@H]2CCCN(CC[C@H](C)F)C2)cc(OC)n1 ZINC001007791825 1222421175 /nfs/dbraw/zinc/42/11/75/1222421175.db2.gz LRENQMHOMCFRIF-JSGCOSHPSA-N 0 3 339.411 2.041 20 10 EECDHN CN1CCC[C@@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000827701680 1248654401 /nfs/dbraw/zinc/65/44/01/1248654401.db2.gz MHSNDXWDNDIMAB-CQSZACIVSA-N 0 3 330.457 2.140 20 10 EECDHN CCCN1CC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184648 1234072630 /nfs/dbraw/zinc/07/26/30/1234072630.db2.gz CVEJPOMIIVZVNE-INIZCTEOSA-N 0 3 332.448 2.030 20 10 EECDHN CCC[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184360 1234072839 /nfs/dbraw/zinc/07/28/39/1234072839.db2.gz AFOILHSNFUGRLT-HOTGVXAUSA-N 0 3 332.448 2.076 20 10 EECDHN CCC[C@]1(C)NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185587 1234073832 /nfs/dbraw/zinc/07/38/32/1234073832.db2.gz OXFLFNSIGNUCIB-LPHOPBHVSA-N 0 3 346.475 2.466 20 10 EECDHN CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000857069288 1293713620 /nfs/dbraw/zinc/71/36/20/1293713620.db2.gz XJNVULDWICZADZ-CYBMUJFWSA-N 0 3 327.222 2.174 20 10 EECDHN Cc1ccc(O)c(CNCc2ccccc2OCC(=O)N(C)C)c1 ZINC000858237156 1294056528 /nfs/dbraw/zinc/05/65/28/1294056528.db2.gz HKAMWEGYOMTQFM-UHFFFAOYSA-N 0 3 328.412 2.457 20 10 EECDHN CCN1CCN(c2ccc(O[C@@H]3CNCC(F)(F)C3)cc2)CC1 ZINC001218277665 1297619681 /nfs/dbraw/zinc/61/96/81/1297619681.db2.gz IMGJMYMYPVFSPF-INIZCTEOSA-N 0 3 325.403 2.205 20 10 EECDHN O=C(Nc1nnco1)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277440475 1303025881 /nfs/dbraw/zinc/02/58/81/1303025881.db2.gz AHHXNIFEQDSYHM-CYBMUJFWSA-N 0 3 328.372 2.016 20 10 EECDHN COc1cc(CN2CC[C@@H](Oc3cccc(C)n3)C2)c(O)cc1O ZINC001231638906 1303875484 /nfs/dbraw/zinc/87/54/84/1303875484.db2.gz BZFSADWUQHUPRE-CQSZACIVSA-N 0 3 330.384 2.463 20 10 EECDHN COc1cc(CN2CCC(Oc3ncc(C)cn3)CC2)c(O)cc1O ZINC001231640004 1303876544 /nfs/dbraw/zinc/87/65/44/1303876544.db2.gz OEFOUFJFHFBSTF-UHFFFAOYSA-N 0 3 345.399 2.248 20 10 EECDHN COCCN(C)C(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001277567665 1303920242 /nfs/dbraw/zinc/92/02/42/1303920242.db2.gz OOUUYQJEAGLAAL-QGZVFWFLSA-N 0 3 346.471 2.408 20 10 EECDHN O=C(NC1CCC1)[C@@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233484409 1304477263 /nfs/dbraw/zinc/47/72/63/1304477263.db2.gz JZEBLBQJKMWORH-AWEZNQCLSA-N 0 3 346.427 2.074 20 10 EECDHN COc1ccc(N2CCN(Cc3c(C)cc(OC)cc3O)CC2)nc1 ZINC001236816397 1305687112 /nfs/dbraw/zinc/68/71/12/1305687112.db2.gz UEXWNEXYFIWARI-UHFFFAOYSA-N 0 3 343.427 2.435 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C(=O)N(C)C)C3)c2c1 ZINC000840181195 1315318433 /nfs/dbraw/zinc/31/84/33/1315318433.db2.gz ZZOABZKZXGZTHR-AWEZNQCLSA-N 0 3 328.412 2.464 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C(=O)N(C)C)C3)c2c1 ZINC000840181195 1315318437 /nfs/dbraw/zinc/31/84/37/1315318437.db2.gz ZZOABZKZXGZTHR-AWEZNQCLSA-N 0 3 328.412 2.464 20 10 EECDHN C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@H](c1ccccc1)N(C)C ZINC000841114171 1315479373 /nfs/dbraw/zinc/47/93/73/1315479373.db2.gz WUXSDWRFXOBPDY-SUMWQHHRSA-N 0 3 340.427 2.015 20 10 EECDHN O=C([C@H]1CC[C@H](C(F)(F)F)CN1)N1CCc2cccc(O)c2C1 ZINC001160872100 1320299544 /nfs/dbraw/zinc/29/95/44/1320299544.db2.gz HLJYZYOSTRGZJJ-WCQYABFASA-N 0 3 328.334 2.207 20 10 EECDHN CCN1CC2(CC[NH+](Cc3ccccc3[O-])CC2)[C@@H](COC)C1=O ZINC001203552101 1321910269 /nfs/dbraw/zinc/91/02/69/1321910269.db2.gz AMOVDRLTBUABIL-INIZCTEOSA-N 0 3 332.444 2.099 20 10 EECDHN O=C(c1ccsc1)N1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203877231 1321980609 /nfs/dbraw/zinc/98/06/09/1321980609.db2.gz OYOODXAYWIRCJY-GASCZTMLSA-N 0 3 344.436 2.363 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001204273324 1322099823 /nfs/dbraw/zinc/09/98/23/1322099823.db2.gz OEQLFOFFFJMIID-IYBDPMFKSA-N 0 3 325.412 2.057 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001204273324 1322099831 /nfs/dbraw/zinc/09/98/31/1322099831.db2.gz OEQLFOFFFJMIID-IYBDPMFKSA-N 0 3 325.412 2.057 20 10 EECDHN COc1cc(Br)cc(CN2CC(N3CCCC3)C2)c1O ZINC001204338672 1322115846 /nfs/dbraw/zinc/11/58/46/1322115846.db2.gz LRRUIJVIAMJLSR-UHFFFAOYSA-N 0 3 341.249 2.443 20 10 EECDHN COC(=O)C[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337042841 1336635411 /nfs/dbraw/zinc/63/54/11/1336635411.db2.gz SXYSISGIGCDSCO-MRXNPFEDSA-N 0 3 349.450 2.105 20 10 EECDHN CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056020 1350842207 /nfs/dbraw/zinc/84/22/07/1350842207.db2.gz QGZDQARGVSEFEX-MRXNPFEDSA-N 0 3 344.463 2.345 20 10 EECDHN Nc1ccc(CC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000852851232 1369307927 /nfs/dbraw/zinc/30/79/27/1369307927.db2.gz ZXFFCEOWYSDPIT-UHFFFAOYSA-N 0 3 338.455 2.235 20 10 EECDHN Cc1cc(N2CC=C(CCNC(=O)[C@@H](C(C)C)N(C)C)CC2)ncn1 ZINC001089840571 777613424 /nfs/dbraw/zinc/61/34/24/777613424.db2.gz VXPVIGODUGUDOF-GOSISDBHSA-N 0 3 345.491 2.014 20 10 EECDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000818012824 785171635 /nfs/dbraw/zinc/17/16/35/785171635.db2.gz XZPPWWUSKSJVFM-INIZCTEOSA-N 0 3 347.846 2.466 20 10 EECDHN CC(=O)c1cccc(OC[C@H](O)CNCc2ccc3c(c2)CCO3)c1 ZINC000818996976 785357364 /nfs/dbraw/zinc/35/73/64/785357364.db2.gz OCSYILGOWZUPFM-GOSISDBHSA-N 0 3 341.407 2.354 20 10 EECDHN O=S(=O)(NCCNCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921607671 789833515 /nfs/dbraw/zinc/83/35/15/789833515.db2.gz LJUBANUJJAUQAJ-UHFFFAOYSA-N 0 3 346.452 2.080 20 10 EECDHN Cc1cccc(N(C(=O)c2cccc(O)c2[O-])C2CC[NH2+]CC2)n1 ZINC001148218925 792252215 /nfs/dbraw/zinc/25/22/15/792252215.db2.gz OFAPTUJLKNCQAC-UHFFFAOYSA-N 0 3 327.384 2.200 20 10 EECDHN COC(=O)[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000787420950 807108840 /nfs/dbraw/zinc/10/88/40/807108840.db2.gz NIIATHMCIYROTI-ZFWWWQNUSA-N 0 3 336.407 2.046 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3ccccn3)C2)cc1OC ZINC000271103555 464281054 /nfs/dbraw/zinc/28/10/54/464281054.db2.gz QHTUBFJSRIWNCK-AWEZNQCLSA-N 0 3 330.384 2.458 20 10 EECDHN CC[C@H](CNS(C)(=O)=O)N[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000296481627 465207948 /nfs/dbraw/zinc/20/79/48/465207948.db2.gz OFXGFZWSZNZWKO-ZBFHGGJFSA-N 0 3 327.494 2.121 20 10 EECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN2CCC1CC2 ZINC000341541028 465221653 /nfs/dbraw/zinc/22/16/53/465221653.db2.gz XLOIWTGIKAXHMD-UHFFFAOYSA-N 0 3 326.444 2.476 20 10 EECDHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(N(C)CC)cc1 ZINC000296586031 465226256 /nfs/dbraw/zinc/22/62/56/465226256.db2.gz UQUCDPDJISEMBN-HIFRSBDPSA-N 0 3 327.494 2.121 20 10 EECDHN COc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1OCC(N)=O ZINC000297598636 465262999 /nfs/dbraw/zinc/26/29/99/465262999.db2.gz HYBATJGLZFWZKV-CQSZACIVSA-N 0 3 342.395 2.042 20 10 EECDHN C[C@H](NCc1cccc(OCC(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000128814246 462672805 /nfs/dbraw/zinc/67/28/05/462672805.db2.gz DWKFNEHDADQISP-AWEZNQCLSA-N 0 3 327.428 2.468 20 10 EECDHN CN(Cc1ccccc1O)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000118775192 462852967 /nfs/dbraw/zinc/85/29/67/462852967.db2.gz VSICKHMUAMPXGA-UHFFFAOYSA-N 0 3 332.444 2.386 20 10 EECDHN C=Cn1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000194256296 463822673 /nfs/dbraw/zinc/82/26/73/463822673.db2.gz RMQKCTQKIBOYNG-UHFFFAOYSA-N 0 3 326.444 2.482 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)cc1F ZINC000278855481 463999962 /nfs/dbraw/zinc/99/99/62/463999962.db2.gz BALMPTFRKOEZBG-KRWDZBQOSA-N 0 3 347.434 2.110 20 10 EECDHN COc1c([O-])c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950205 464013339 /nfs/dbraw/zinc/01/33/39/464013339.db2.gz ZGLPGCXNFXVUFZ-OCCSQVGLSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950205 464013342 /nfs/dbraw/zinc/01/33/42/464013342.db2.gz ZGLPGCXNFXVUFZ-OCCSQVGLSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000278950205 464013349 /nfs/dbraw/zinc/01/33/49/464013349.db2.gz ZGLPGCXNFXVUFZ-OCCSQVGLSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000278950205 464013353 /nfs/dbraw/zinc/01/33/53/464013353.db2.gz ZGLPGCXNFXVUFZ-OCCSQVGLSA-N 0 3 335.404 2.225 20 10 EECDHN C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc2c(cc1[O-])CCCC2 ZINC000186511298 464015205 /nfs/dbraw/zinc/01/52/05/464015205.db2.gz XMIIWGBINFULFI-GFCCVEGCSA-N 0 3 328.416 2.075 20 10 EECDHN COc1cc(Br)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000179546094 464154899 /nfs/dbraw/zinc/15/48/99/464154899.db2.gz ITVRHCZIQQIGMW-CYBMUJFWSA-N 0 3 341.249 2.443 20 10 EECDHN COc1cc(Br)cc(CN2CC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000179546094 464154903 /nfs/dbraw/zinc/15/49/03/464154903.db2.gz ITVRHCZIQQIGMW-CYBMUJFWSA-N 0 3 341.249 2.443 20 10 EECDHN CC1CCN(c2ccc(CNC(=O)CNC[C@H]3CCCO3)cc2)CC1 ZINC000236673164 464218876 /nfs/dbraw/zinc/21/88/76/464218876.db2.gz VWTXRWCZHHHHSR-LJQANCHMSA-N 0 3 345.487 2.308 20 10 EECDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1cc2c(cc1O)OCO2 ZINC000271153056 464284242 /nfs/dbraw/zinc/28/42/42/464284242.db2.gz CCLHNBBOGYGJFY-LLVKDONJSA-N 0 3 338.404 2.466 20 10 EECDHN COc1cccc(CNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1O ZINC000173844245 464322186 /nfs/dbraw/zinc/32/21/86/464322186.db2.gz VJFXLNOPXDJDQT-KGLIPLIRSA-N 0 3 335.448 2.320 20 10 EECDHN CNC(=O)CCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000180505919 464325494 /nfs/dbraw/zinc/32/54/94/464325494.db2.gz DNNHIORVCVGSLS-UHFFFAOYSA-N 0 3 329.238 2.421 20 10 EECDHN CNC(=O)CCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000180505919 464325500 /nfs/dbraw/zinc/32/55/00/464325500.db2.gz DNNHIORVCVGSLS-UHFFFAOYSA-N 0 3 329.238 2.421 20 10 EECDHN C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1=CCN(C)CC1 ZINC000272693948 464684793 /nfs/dbraw/zinc/68/47/93/464684793.db2.gz CZNUZGBSJQQBCH-CYBMUJFWSA-N 0 3 334.439 2.341 20 10 EECDHN C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000273561311 464720202 /nfs/dbraw/zinc/72/02/02/464720202.db2.gz ICJMJSABPRZCFT-XJKSGUPXSA-N 0 3 337.439 2.125 20 10 EECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](N)C1CCOCC1 ZINC000282387064 464799533 /nfs/dbraw/zinc/79/95/33/464799533.db2.gz XGDHXAUJSOCCFA-LJQANCHMSA-N 0 3 345.487 2.389 20 10 EECDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000295863587 464990127 /nfs/dbraw/zinc/99/01/27/464990127.db2.gz BRUULQVSQLMYGL-DOMZBBRYSA-N 0 3 340.489 2.249 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000359955368 465511368 /nfs/dbraw/zinc/51/13/68/465511368.db2.gz HTWYGYDTVDOSQF-XJKSGUPXSA-N 0 3 327.808 2.482 20 10 EECDHN c1cc(N2CCOCC2)ccc1CN1CCOC2(CCOCC2)CC1 ZINC000375084405 466799663 /nfs/dbraw/zinc/79/96/63/466799663.db2.gz HEQLQMMJIVQQRS-UHFFFAOYSA-N 0 3 346.471 2.295 20 10 EECDHN CC[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(C)cc1[O-] ZINC000373531956 466835236 /nfs/dbraw/zinc/83/52/36/466835236.db2.gz SYZLDVDDNBDHTH-FRIZHTMISA-N 0 3 345.443 2.462 20 10 EECDHN OC[C@@H]1C[C@H](O)CN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377619040 467097703 /nfs/dbraw/zinc/09/77/03/467097703.db2.gz DGCIPSJOZMNIRQ-PMACEKPBSA-N 0 3 338.451 2.177 20 10 EECDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000268109555 490712261 /nfs/dbraw/zinc/71/22/61/490712261.db2.gz HVPKSGSDNMNDBQ-BEFAXECRSA-N 0 3 340.471 2.345 20 10 EECDHN COc1ccc(N2CCN(C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000193176172 534014107 /nfs/dbraw/zinc/01/41/07/534014107.db2.gz VCLABAULUOLLGG-LJQANCHMSA-N 0 3 326.440 2.421 20 10 EECDHN CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000738315488 578009149 /nfs/dbraw/zinc/00/91/49/578009149.db2.gz VKMZCMPKZSGVIX-UHFFFAOYSA-N 0 3 349.450 2.153 20 10 EECDHN COC[C@@H](CCO)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766106083 577513199 /nfs/dbraw/zinc/51/31/99/577513199.db2.gz CCBGWYKQWFRSLT-UONOGXRCSA-N 0 3 342.867 2.225 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000770332983 577594056 /nfs/dbraw/zinc/59/40/56/577594056.db2.gz UBQQJZJLPWDLCA-SUMWQHHRSA-N 0 3 331.416 2.080 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000770332983 577594057 /nfs/dbraw/zinc/59/40/57/577594057.db2.gz UBQQJZJLPWDLCA-SUMWQHHRSA-N 0 3 331.416 2.080 20 10 EECDHN COC(=O)c1ccc(CN(C)c2ccc(OCCN(C)C)cc2)[nH]1 ZINC000761223923 577679638 /nfs/dbraw/zinc/67/96/38/577679638.db2.gz VEXXXJCNPSJJDV-UHFFFAOYSA-N 0 3 331.416 2.378 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000756548871 577846333 /nfs/dbraw/zinc/84/63/33/577846333.db2.gz LPBLJTISTMXOMV-VNHYZAJKSA-N 0 3 349.450 2.257 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CCOCC(F)F)N(C)C)cc1 ZINC000891246357 676240371 /nfs/dbraw/zinc/24/03/71/676240371.db2.gz BJRZOUPGHFHDDQ-HNNXBMFYSA-N 0 3 343.418 2.143 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cccnc2F)N(C)C)cc1 ZINC000891249378 676243781 /nfs/dbraw/zinc/24/37/81/676243781.db2.gz RYIIFHHMHOLCHU-INIZCTEOSA-N 0 3 330.407 2.319 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2C(F)F)N(C)C)cc1 ZINC000891250525 676245470 /nfs/dbraw/zinc/24/54/70/676245470.db2.gz WPQWDDJLOVTFTB-KKUMJFAQSA-N 0 3 325.403 2.373 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CC2(O)CCCC2)N(C)C)cc1 ZINC000891253113 676249020 /nfs/dbraw/zinc/24/90/20/676249020.db2.gz QRDBCNQYLPVJHC-KRWDZBQOSA-N 0 3 333.476 2.167 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CCCn2ccnc2)N(C)C)cc1 ZINC000891252811 676249062 /nfs/dbraw/zinc/24/90/62/676249062.db2.gz NWXCBTKGVOSYEF-SFHVURJKSA-N 0 3 343.475 2.148 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCCCO2)N(C)C)cc1 ZINC000892323349 678801825 /nfs/dbraw/zinc/80/18/25/678801825.db2.gz ZZMUUHXPZWLFIU-ROUUACIJSA-N 0 3 348.491 2.224 20 10 EECDHN CNC(=O)c1cccc(CNCc2ccc(OC)c(OC)c2O)c1 ZINC000892499810 681235703 /nfs/dbraw/zinc/23/57/03/681235703.db2.gz XZDVJEPDEWKADE-UHFFFAOYSA-N 0 3 330.384 2.059 20 10 EECDHN COc1cc(C)cc(CNCC(=O)N2CCc3ccccc32)c1O ZINC000895487707 684618040 /nfs/dbraw/zinc/61/80/40/684618040.db2.gz HRRCYABGSFUXAF-UHFFFAOYSA-N 0 3 326.396 2.388 20 10 EECDHN CN1CCN(c2ccc(CNCc3cc(F)ncc3F)cc2)CC1 ZINC000895608080 684661620 /nfs/dbraw/zinc/66/16/20/684661620.db2.gz WVLNXLDEPUUKCI-UHFFFAOYSA-N 0 3 332.398 2.401 20 10 EECDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])N1CC1CCOCC1 ZINC001272618878 1190933848 /nfs/dbraw/zinc/93/38/48/1190933848.db2.gz PKNMRPLWOKJGPE-QZTJIDSGSA-N 0 3 344.455 2.384 20 10 EECDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])N1CC1CCOCC1 ZINC001272618878 1190933849 /nfs/dbraw/zinc/93/38/49/1190933849.db2.gz PKNMRPLWOKJGPE-QZTJIDSGSA-N 0 3 344.455 2.384 20 10 EECDHN O=C1N(CC(F)(F)F)CC[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272982947 1194291794 /nfs/dbraw/zinc/29/17/94/1194291794.db2.gz NEXWLQRWPCCDLF-HNNXBMFYSA-N 0 3 344.333 2.085 20 10 EECDHN O=C1N(CC(F)(F)F)CC[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272982947 1194291796 /nfs/dbraw/zinc/29/17/96/1194291796.db2.gz NEXWLQRWPCCDLF-HNNXBMFYSA-N 0 3 344.333 2.085 20 10 EECDHN CN1C[C@@]2(CCN(Cc3ccc(N4CCCCC4)cc3)C2)OCC1=O ZINC001273307241 1198011773 /nfs/dbraw/zinc/01/17/73/1198011773.db2.gz UFDCKLRPZWBACJ-HXUWFJFHSA-N 0 3 343.471 2.110 20 10 EECDHN CC(C)[C@H](CNC(=O)N[C@H](C)c1ccccc1O)N1CCN(C)CC1 ZINC000875048539 1199121297 /nfs/dbraw/zinc/12/12/97/1199121297.db2.gz UGIFUALVMHBSRC-WBVHZDCISA-N 0 3 348.491 2.024 20 10 EECDHN CN1C(=O)[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C[C@H]2C1=O ZINC000877720073 1200054962 /nfs/dbraw/zinc/05/49/62/1200054962.db2.gz JPBLWKQGIYPZOM-CALCHBBNSA-N 0 3 336.391 2.106 20 10 EECDHN CN1C(=O)[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C[C@H]2C1=O ZINC000877720073 1200054971 /nfs/dbraw/zinc/05/49/71/1200054971.db2.gz JPBLWKQGIYPZOM-CALCHBBNSA-N 0 3 336.391 2.106 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCC(=O)N(C3COC3)C2)CC1 ZINC001274303767 1204991476 /nfs/dbraw/zinc/99/14/76/1204991476.db2.gz MVBSYZPADAZIJR-UHFFFAOYSA-N 0 3 344.455 2.304 20 10 EECDHN C[C@H]1CN(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000192994798 1210683499 /nfs/dbraw/zinc/68/34/99/1210683499.db2.gz UMTRSUQFOUIYOS-WMZOPIPTSA-N 0 3 334.460 2.094 20 10 EECDHN C[C@H]1CN(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000192994798 1210683501 /nfs/dbraw/zinc/68/35/01/1210683501.db2.gz UMTRSUQFOUIYOS-WMZOPIPTSA-N 0 3 334.460 2.094 20 10 EECDHN CN(CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)Cc1ccco1 ZINC000795750422 1215032425 /nfs/dbraw/zinc/03/24/25/1215032425.db2.gz DBTUDLGPBZZIOL-GOSISDBHSA-N 0 3 346.427 2.365 20 10 EECDHN CN(CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)Cc1ccco1 ZINC000795750422 1215032429 /nfs/dbraw/zinc/03/24/29/1215032429.db2.gz DBTUDLGPBZZIOL-GOSISDBHSA-N 0 3 346.427 2.365 20 10 EECDHN CC(C)N1CC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900186392 1234074506 /nfs/dbraw/zinc/07/45/06/1234074506.db2.gz ZLBFVXAMDVYASQ-MRXNPFEDSA-N 0 3 332.448 2.028 20 10 EECDHN COc1cc(CN[C@@H]2CCCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850142209 1277062811 /nfs/dbraw/zinc/06/28/11/1277062811.db2.gz PWEMAZOCCSNONP-CYBMUJFWSA-N 0 3 341.473 2.365 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001276806166 1298070183 /nfs/dbraw/zinc/07/01/83/1298070183.db2.gz IVVJUBRLLXINLU-WMLDXEAASA-N 0 3 347.459 2.333 20 10 EECDHN COc1cc(C)c(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001276806166 1298070196 /nfs/dbraw/zinc/07/01/96/1298070196.db2.gz IVVJUBRLLXINLU-WMLDXEAASA-N 0 3 347.459 2.333 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c([O-])c1 ZINC001276814011 1298443862 /nfs/dbraw/zinc/44/38/62/1298443862.db2.gz AMFBLNYZYXBWCR-MAUKXSAKSA-N 0 3 342.443 2.220 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c([O-])c1 ZINC001276814011 1298443868 /nfs/dbraw/zinc/44/38/68/1298443868.db2.gz AMFBLNYZYXBWCR-MAUKXSAKSA-N 0 3 342.443 2.220 20 10 EECDHN O=C(Nc1nnco1)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277440476 1303026037 /nfs/dbraw/zinc/02/60/37/1303026037.db2.gz AHHXNIFEQDSYHM-ZDUSSCGKSA-N 0 3 328.372 2.016 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277441461 1303030142 /nfs/dbraw/zinc/03/01/42/1303030142.db2.gz LFUHXLUHZSOZRG-XOIINTDNSA-N 0 3 326.400 2.212 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441461 1303030149 /nfs/dbraw/zinc/03/01/49/1303030149.db2.gz LFUHXLUHZSOZRG-XOIINTDNSA-N 0 3 326.400 2.212 20 10 EECDHN Cc1cc(C)c(CN2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001231845171 1303929157 /nfs/dbraw/zinc/92/91/57/1303929157.db2.gz WWBALEZVWDHYFG-KZNAEPCWSA-N 0 3 344.455 2.125 20 10 EECDHN COC(=O)c1c(CN2CCC(C)(C(N)=O)CC2)c2ccccc2n1C ZINC001232407756 1304111692 /nfs/dbraw/zinc/11/16/92/1304111692.db2.gz TWJZGDWNJZVBGW-UHFFFAOYSA-N 0 3 343.427 2.052 20 10 EECDHN Cc1cc(Br)cc(CN2CC[C@](C)(CO)[C@@H](O)C2)c1O ZINC001233106496 1304361727 /nfs/dbraw/zinc/36/17/27/1304361727.db2.gz IHIFWWMKLHNMMJ-DZGCQCFKSA-N 0 3 344.249 2.028 20 10 EECDHN [NH3+]CCN1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001236098925 1305501113 /nfs/dbraw/zinc/50/11/13/1305501113.db2.gz UZFXGUNWCVUUKI-OAHLLOKOSA-N 0 3 348.830 2.406 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@]3(CCCC(=O)N3)C2)cc1OC ZINC001236754584 1305659707 /nfs/dbraw/zinc/65/97/07/1305659707.db2.gz MXIJFDKNWLDBGX-SFHVURJKSA-N 0 3 334.416 2.044 20 10 EECDHN CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c([O-])c1 ZINC001236786739 1305676110 /nfs/dbraw/zinc/67/61/10/1305676110.db2.gz HXYXDDLWOMSYJX-LZLYRXPVSA-N 0 3 343.427 2.478 20 10 EECDHN CCc1ccc(C[N@H+]2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c([O-])c1 ZINC001236786739 1305676114 /nfs/dbraw/zinc/67/61/14/1305676114.db2.gz HXYXDDLWOMSYJX-LZLYRXPVSA-N 0 3 343.427 2.478 20 10 EECDHN COC(=O)CCN(Cc1ccc(N2CCN(C)CC2)cc1F)C1CC1 ZINC001236948851 1305742747 /nfs/dbraw/zinc/74/27/47/1305742747.db2.gz XRABGCNUTBIMRI-UHFFFAOYSA-N 0 3 349.450 2.105 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001237489914 1305956219 /nfs/dbraw/zinc/95/62/19/1305956219.db2.gz NZASOIIRVOHAEX-UHFFFAOYSA-N 0 3 345.487 2.219 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001237489914 1305956223 /nfs/dbraw/zinc/95/62/23/1305956223.db2.gz NZASOIIRVOHAEX-UHFFFAOYSA-N 0 3 345.487 2.219 20 10 EECDHN COc1cc(CN2CCC(N3CCCCC3=O)CC2)c(O)c(OC)c1 ZINC001237681144 1306041768 /nfs/dbraw/zinc/04/17/68/1306041768.db2.gz PDRXKEFHFQYKDR-UHFFFAOYSA-N 0 3 348.443 2.386 20 10 EECDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c1[O-] ZINC001237686252 1306046067 /nfs/dbraw/zinc/04/60/67/1306046067.db2.gz JJLKWHUIMFYBIV-UHFFFAOYSA-N 0 3 336.819 2.373 20 10 EECDHN Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccncc3)C2)c(O)c1 ZINC001140954736 1314995730 /nfs/dbraw/zinc/99/57/30/1314995730.db2.gz XLHYSVDQDJYXGF-QGZVFWFLSA-N 0 3 325.412 2.490 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c1[O-] ZINC000840960895 1315446367 /nfs/dbraw/zinc/44/63/67/1315446367.db2.gz XHHXKGWISBKXEG-UHFFFAOYSA-N 0 3 335.853 2.357 20 10 EECDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843435423 1315915381 /nfs/dbraw/zinc/91/53/81/1315915381.db2.gz UGYCILOJAKDTIW-WMZOPIPTSA-N 0 3 332.444 2.033 20 10 EECDHN CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249178371 1317018427 /nfs/dbraw/zinc/01/84/27/1317018427.db2.gz QOUGSRZWXSQENT-OAHLLOKOSA-N 0 3 349.427 2.273 20 10 EECDHN CCOC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249178371 1317018433 /nfs/dbraw/zinc/01/84/33/1317018433.db2.gz QOUGSRZWXSQENT-OAHLLOKOSA-N 0 3 349.427 2.273 20 10 EECDHN CN1CCN(c2ccc(CNc3nccc(NC4CC4)n3)cc2)CC1 ZINC001156651056 1318137014 /nfs/dbraw/zinc/13/70/14/1318137014.db2.gz HKJJILMGNHSQKG-UHFFFAOYSA-N 0 3 338.459 2.415 20 10 EECDHN O=C([C@H]1C[N@@H+](Cc2ccccc2[O-])CC12CCOCC2)N1CCCC1 ZINC001203552756 1321911141 /nfs/dbraw/zinc/91/11/41/1321911141.db2.gz SDNCDBMXTKTBCW-QGZVFWFLSA-N 0 3 344.455 2.243 20 10 EECDHN O=C([C@H]1C[N@H+](Cc2ccccc2[O-])CC12CCOCC2)N1CCCC1 ZINC001203552756 1321911143 /nfs/dbraw/zinc/91/11/43/1321911143.db2.gz SDNCDBMXTKTBCW-QGZVFWFLSA-N 0 3 344.455 2.243 20 10 EECDHN O=C(C[C@H]1[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]12)NCc1ccco1 ZINC001204274343 1322099758 /nfs/dbraw/zinc/09/97/58/1322099758.db2.gz OHJUJGJGESPCFP-BJWYYQGGSA-N 0 3 342.395 2.075 20 10 EECDHN O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]12)NCc1ccco1 ZINC001204274343 1322099766 /nfs/dbraw/zinc/09/97/66/1322099766.db2.gz OHJUJGJGESPCFP-BJWYYQGGSA-N 0 3 342.395 2.075 20 10 EECDHN COc1cc(CN2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)cc(O)c1O ZINC001204346123 1322120775 /nfs/dbraw/zinc/12/07/75/1322120775.db2.gz DXVOFEHVYOITMR-KGLIPLIRSA-N 0 3 340.379 2.274 20 10 EECDHN COc1ccc(N2CCN(C[C@H]3CCCC[C@@H]3O)CC2)c(OC)c1 ZINC001308014212 1331557916 /nfs/dbraw/zinc/55/79/16/1331557916.db2.gz KTWHEAFPMULWAR-QAPCUYQASA-N 0 3 334.460 2.377 20 10 EECDHN CN1CCN(c2ccc(CN3CC[C@H](O)C(C)(C)C3)cc2F)CC1 ZINC001320699241 1332937412 /nfs/dbraw/zinc/93/74/12/1332937412.db2.gz NNYVAUWYTYCAPK-SFHVURJKSA-N 0 3 335.467 2.170 20 10 EECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)CNCC2 ZINC001327195373 1334244012 /nfs/dbraw/zinc/24/40/12/1334244012.db2.gz CGGQTINSCYATQF-UHFFFAOYSA-N 0 3 337.423 2.438 20 10 EECDHN COc1cc(C)cc(CNCc2cccc(N3CCOCC3)n2)c1O ZINC001334366050 1336244555 /nfs/dbraw/zinc/24/45/55/1336244555.db2.gz AYTHEMPIXURZSV-UHFFFAOYSA-N 0 3 343.427 2.231 20 10 EECDHN CN1CCN(c2ccc(CN3CC[S@@](=O)C(C)(C)CC3)cc2)CC1 ZINC000825025084 788402088 /nfs/dbraw/zinc/40/20/88/788402088.db2.gz YEAHAXKONVSDAY-XMMPIXPASA-N 0 3 349.544 2.171 20 10 EECDHN COc1cc(Br)cc(CNC[C@@H](O)C(F)(F)F)c1O ZINC000791000177 809018244 /nfs/dbraw/zinc/01/82/44/809018244.db2.gz NYKFARMCWOKPKN-SECBINFHSA-N 0 3 344.127 2.176 20 10 EECDHN O=C(NCc1cccc(O)c1O)C1CCN(Cc2ccncc2)CC1 ZINC001548790887 1124503721 /nfs/dbraw/zinc/50/37/21/1124503721.db2.gz SOBOUYKADABABT-UHFFFAOYSA-N 0 3 341.411 2.021 20 10 EECDHN COCCCOC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271121066 464281223 /nfs/dbraw/zinc/28/12/23/464281223.db2.gz YAPBAIHZSJDGHO-UHFFFAOYSA-N 0 3 339.432 2.427 20 10 EECDHN NC(=O)c1ccc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)cc1 ZINC000298305111 465359269 /nfs/dbraw/zinc/35/92/69/465359269.db2.gz IOQVBALBLVIZHX-UHFFFAOYSA-N 0 3 340.379 2.384 20 10 EECDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CN1C1CC1 ZINC000127632684 462570921 /nfs/dbraw/zinc/57/09/21/462570921.db2.gz RBITWEPQLLVGQB-JSGCOSHPSA-N 0 3 334.439 2.316 20 10 EECDHN CN(C)c1ccc(CN2CCC(NC(=O)C3CCOCC3)CC2)cc1 ZINC000120066170 462958479 /nfs/dbraw/zinc/95/84/79/462958479.db2.gz YTLNGPNSQNDNDK-UHFFFAOYSA-N 0 3 345.487 2.260 20 10 EECDHN COc1cccc(COC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000121144003 463086720 /nfs/dbraw/zinc/08/67/20/463086720.db2.gz DTJFAWIVCGKRPO-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN COc1cccc(COC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000121144003 463086721 /nfs/dbraw/zinc/08/67/21/463086721.db2.gz DTJFAWIVCGKRPO-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000177987728 463825102 /nfs/dbraw/zinc/82/51/02/463825102.db2.gz WFNZDMFAFQBGMY-IEBWSBKVSA-N 0 3 345.487 2.212 20 10 EECDHN O=C(NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1)C1CC1 ZINC000179912631 464207813 /nfs/dbraw/zinc/20/78/13/464207813.db2.gz QKWSOAQBQPZEHO-UHFFFAOYSA-N 0 3 343.471 2.014 20 10 EECDHN COc1cccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c1[O-] ZINC000237364644 464309767 /nfs/dbraw/zinc/30/97/67/464309767.db2.gz AVNSYMOSMWIISE-UHFFFAOYSA-N 0 3 341.411 2.190 20 10 EECDHN CN(C)c1ccc(CNC[C@H]2CC[C@@H](CO)O2)c(C(F)(F)F)c1 ZINC000292741522 464326627 /nfs/dbraw/zinc/32/66/27/464326627.db2.gz QRJZVMYPHIGNFB-KGLIPLIRSA-N 0 3 332.366 2.401 20 10 EECDHN COc1cc(Br)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC000245726190 464511335 /nfs/dbraw/zinc/51/13/35/464511335.db2.gz ITVRHCZIQQIGMW-ZDUSSCGKSA-N 0 3 341.249 2.443 20 10 EECDHN COc1cc(Br)cc(CN2CC[N@H+]3CCC[C@H]3C2)c1[O-] ZINC000245726190 464511337 /nfs/dbraw/zinc/51/13/37/464511337.db2.gz ITVRHCZIQQIGMW-ZDUSSCGKSA-N 0 3 341.249 2.443 20 10 EECDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(N2CCCCC2)cc1 ZINC000294973796 464668145 /nfs/dbraw/zinc/66/81/45/464668145.db2.gz FZLZHRWFDKRHOL-MRXNPFEDSA-N 0 3 339.505 2.094 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCSC2)c1[O-] ZINC000182557732 464682108 /nfs/dbraw/zinc/68/21/08/464682108.db2.gz AIYZBDVCKQLQJD-ZDUSSCGKSA-N 0 3 332.263 2.421 20 10 EECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273430992 464715163 /nfs/dbraw/zinc/71/51/63/464715163.db2.gz VPAVKNHYDFNXMC-CQSZACIVSA-N 0 3 328.478 2.331 20 10 EECDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Br)ccc1[O-] ZINC000273417186 464715761 /nfs/dbraw/zinc/71/57/61/464715761.db2.gz RCYXXUNLQYPZAI-WCQYABFASA-N 0 3 343.265 2.262 20 10 EECDHN CCCN(CC(=O)OCC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775664574 577442138 /nfs/dbraw/zinc/44/21/38/577442138.db2.gz YWKIHLATNJRFOD-UHFFFAOYSA-N 0 3 333.476 2.214 20 10 EECDHN COc1ccc([O-])c(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c1 ZINC000775702344 577443209 /nfs/dbraw/zinc/44/32/09/577443209.db2.gz QMHDRTNKSWTQBZ-UHFFFAOYSA-N 0 3 340.423 2.420 20 10 EECDHN C[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CCN1C ZINC000759586291 577646022 /nfs/dbraw/zinc/64/60/22/577646022.db2.gz YVUWOKRVKSMRLH-NEPJUHHUSA-N 0 3 328.507 2.407 20 10 EECDHN C[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCN1C ZINC000759586292 577646048 /nfs/dbraw/zinc/64/60/48/577646048.db2.gz YVUWOKRVKSMRLH-NWDGAFQWSA-N 0 3 328.507 2.407 20 10 EECDHN CC[C@@](C)(CC(=O)OC)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749408900 577975934 /nfs/dbraw/zinc/97/59/34/577975934.db2.gz JYKFDRKMKTYNIL-IBGZPJMESA-N 0 3 349.475 2.032 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)nn2)N(C)C)cc1 ZINC000891246243 676238486 /nfs/dbraw/zinc/23/84/86/676238486.db2.gz BDIYQIWKYIQFLB-HNNXBMFYSA-N 0 3 347.850 2.229 20 10 EECDHN COCC1(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891246030 676239398 /nfs/dbraw/zinc/23/93/98/676239398.db2.gz LMCKAYYVQIYRJK-KRWDZBQOSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCCCO2)N(C)C)cc1 ZINC000891248488 676242866 /nfs/dbraw/zinc/24/28/66/676242866.db2.gz NHENMXLQMZFXJO-IEBWSBKVSA-N 0 3 333.476 2.431 20 10 EECDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000893135160 683832324 /nfs/dbraw/zinc/83/23/24/683832324.db2.gz LWQGXNHYNYPHHF-RBUKOAKNSA-N 0 3 340.471 2.441 20 10 EECDHN C[C@@H]1COCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899099105 693611675 /nfs/dbraw/zinc/61/16/75/693611675.db2.gz VMPAPHPLPOXYJP-YJBOKZPZSA-N 0 3 348.491 2.033 20 10 EECDHN CC(C)CN1C[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2)OCC1=O ZINC001272917268 1193603429 /nfs/dbraw/zinc/60/34/29/1193603429.db2.gz RFOUKCQSHZWGFQ-HXUWFJFHSA-N 0 3 345.487 2.212 20 10 EECDHN O=C1CO[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1C1CCCC1 ZINC001272618885 1190933724 /nfs/dbraw/zinc/93/37/24/1190933724.db2.gz PKPAUYWIRJRKJD-LJQANCHMSA-N 0 3 330.428 2.138 20 10 EECDHN O=C1CO[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1C1CCCC1 ZINC001272618885 1190933727 /nfs/dbraw/zinc/93/37/27/1190933727.db2.gz PKPAUYWIRJRKJD-LJQANCHMSA-N 0 3 330.428 2.138 20 10 EECDHN COC(C)(C)CN1CC[C@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272982713 1194291505 /nfs/dbraw/zinc/29/15/05/1194291505.db2.gz JURDSNHDLVYGJQ-LJQANCHMSA-N 0 3 348.443 2.090 20 10 EECDHN CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001273283920 1197950984 /nfs/dbraw/zinc/95/09/84/1197950984.db2.gz CHECWAYGSWPTNR-CYBMUJFWSA-N 0 3 348.418 2.323 20 10 EECDHN CC(C)=CCN1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273283871 1197951844 /nfs/dbraw/zinc/95/18/44/1197951844.db2.gz AUKMEHXUUIDLJN-IBGZPJMESA-N 0 3 348.418 2.301 20 10 EECDHN CC(C)=CCN1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273283871 1197951848 /nfs/dbraw/zinc/95/18/48/1197951848.db2.gz AUKMEHXUUIDLJN-IBGZPJMESA-N 0 3 348.418 2.301 20 10 EECDHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCN1C1CCCC1 ZINC000874154301 1198806128 /nfs/dbraw/zinc/80/61/28/1198806128.db2.gz FACBOAQJKXEWNX-LJQANCHMSA-N 0 3 343.471 2.156 20 10 EECDHN Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c([O-])c1 ZINC000877578061 1199970763 /nfs/dbraw/zinc/97/07/63/1199970763.db2.gz SKBMHEOFPYIOKY-HNNXBMFYSA-N 0 3 336.432 2.426 20 10 EECDHN COc1cc(C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)cc(OC)n1 ZINC001015105929 1224753381 /nfs/dbraw/zinc/75/33/81/1224753381.db2.gz ZQZMHYFUXGAEQB-INIZCTEOSA-N 0 3 345.443 2.403 20 10 EECDHN CN(C)c1ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001275585650 1205431443 /nfs/dbraw/zinc/43/14/43/1205431443.db2.gz XSWHHUICUNGYFC-KDURUIRLSA-N 0 3 345.487 2.286 20 10 EECDHN Cc1cccc(CN2CC3(C2)CN(C(=O)CCc2ccc[nH]2)C3)c1O ZINC001276077250 1205761723 /nfs/dbraw/zinc/76/17/23/1205761723.db2.gz BNDWYLMKTQGNER-UHFFFAOYSA-N 0 3 339.439 2.306 20 10 EECDHN CCNS(=O)(=O)[C@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000092303540 1214418306 /nfs/dbraw/zinc/41/83/06/1214418306.db2.gz OXXWJTZNOGLCTN-HNNXBMFYSA-N 0 3 340.489 2.338 20 10 EECDHN O=C1COc2ccccc2CN1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903181675 1239952352 /nfs/dbraw/zinc/95/23/52/1239952352.db2.gz UEZVDHFXYUFQNC-MRXNPFEDSA-N 0 3 338.407 2.390 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c([O-])c1 ZINC000903233357 1240060018 /nfs/dbraw/zinc/06/00/18/1240060018.db2.gz HAXGVTMIIGNJHO-LZWOXQAQSA-N 0 3 340.489 2.459 20 10 EECDHN COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2[O-])cc1 ZINC000850341620 1277186095 /nfs/dbraw/zinc/18/60/95/1277186095.db2.gz MMCFFIZKRKQNNC-KRWDZBQOSA-N 0 3 331.412 2.111 20 10 EECDHN CN(C)c1cc(F)c(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000858143477 1294021202 /nfs/dbraw/zinc/02/12/02/1294021202.db2.gz ZKJGCQJXXYRTRN-CHWSQXEVSA-N 0 3 346.443 2.476 20 10 EECDHN CN1CCC(CCO)([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858182119 1294035098 /nfs/dbraw/zinc/03/50/98/1294035098.db2.gz HVBGNWUDWOKEMR-UHFFFAOYSA-N 0 3 343.265 2.091 20 10 EECDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1CC2(C[NH2+]C2)C1 ZINC001220212565 1298305497 /nfs/dbraw/zinc/30/54/97/1298305497.db2.gz OKZOMBPURYXCQK-UHFFFAOYSA-N 0 3 331.803 2.210 20 10 EECDHN Cc1c[nH+]ccc1N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566766 1303849972 /nfs/dbraw/zinc/84/99/72/1303849972.db2.gz QTDZKABHQVCYTA-UHFFFAOYSA-N 0 3 327.384 2.116 20 10 EECDHN Cc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c1O ZINC001231591362 1303858147 /nfs/dbraw/zinc/85/81/47/1303858147.db2.gz BJVKAKWLJSVJKW-OAHLLOKOSA-N 0 3 336.432 2.114 20 10 EECDHN CCc1nnc(C2CCN(Cc3cc(OC)c(O)cc3O)CC2)o1 ZINC001231637760 1303873357 /nfs/dbraw/zinc/87/33/57/1303873357.db2.gz RNYBAAFWMNYMKM-UHFFFAOYSA-N 0 3 333.388 2.431 20 10 EECDHN CCOC[C@H]1CN(Cc2ccc(N(C)C)cc2O)Cc2cnn(C)c21 ZINC001232838904 1304265609 /nfs/dbraw/zinc/26/56/09/1304265609.db2.gz NTOOKNPPKIFQQE-MRXNPFEDSA-N 0 3 344.459 2.328 20 10 EECDHN CN(C)c1ccc(CN2CC3CC2(C(=O)N2CCCC2)C3)c(O)c1 ZINC001232839045 1304267175 /nfs/dbraw/zinc/26/71/75/1304267175.db2.gz WRPVRWRFHBMELN-UHFFFAOYSA-N 0 3 329.444 2.045 20 10 EECDHN CN(C)c1ccc(CN2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC001232839649 1304267191 /nfs/dbraw/zinc/26/71/91/1304267191.db2.gz SEWZOCZXJYJIMZ-UHFFFAOYSA-N 0 3 326.444 2.171 20 10 EECDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(O)c(Br)cc1O ZINC001236764231 1305665454 /nfs/dbraw/zinc/66/54/54/1305665454.db2.gz HIEFTFOBFKINQC-QWRGUYRKSA-N 0 3 327.222 2.139 20 10 EECDHN CCc1ccc(CN2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001236787649 1305675960 /nfs/dbraw/zinc/67/59/60/1305675960.db2.gz LTHMIDUHTWRSDW-KZNAEPCWSA-N 0 3 344.455 2.070 20 10 EECDHN COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054055 1305780363 /nfs/dbraw/zinc/78/03/63/1305780363.db2.gz UMMXQAZGDNAZOG-NSHDSACASA-N 0 3 333.306 2.328 20 10 EECDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054055 1305780369 /nfs/dbraw/zinc/78/03/69/1305780369.db2.gz UMMXQAZGDNAZOG-NSHDSACASA-N 0 3 333.306 2.328 20 10 EECDHN COC(=O)c1cc(CNC2CCN(c3ccc(OC)cc3)CC2)on1 ZINC001119242502 1309031944 /nfs/dbraw/zinc/03/19/44/1309031944.db2.gz BWQQNJFOXCIPQE-UHFFFAOYSA-N 0 3 345.399 2.228 20 10 EECDHN O=C(N[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1)C1CC1 ZINC001138500547 1314623297 /nfs/dbraw/zinc/62/32/97/1314623297.db2.gz ZXXKBOIJYDKCBE-GOSISDBHSA-N 0 3 343.471 2.014 20 10 EECDHN CC(=O)N[C@@H]1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076557 1315037459 /nfs/dbraw/zinc/03/74/59/1315037459.db2.gz UIKWAJAZINXORJ-LJQANCHMSA-N 0 3 327.472 2.486 20 10 EECDHN CN(C)c1ccc(CNC(=O)Nc2cnc3c(c2)CNCC3)cc1F ZINC000841322862 1315530182 /nfs/dbraw/zinc/53/01/82/1315530182.db2.gz WSDDCCGUBWXGPU-UHFFFAOYSA-N 0 3 343.406 2.254 20 10 EECDHN COC(=O)[C@@H]1C[C@H](O)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843435420 1315915487 /nfs/dbraw/zinc/91/54/87/1315915487.db2.gz UGYCILOJAKDTIW-AEFFLSMTSA-N 0 3 332.444 2.033 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)ccc2O1 ZINC001249244804 1317031066 /nfs/dbraw/zinc/03/10/66/1317031066.db2.gz NHBZOVYZEKYGNA-MRXNPFEDSA-N 0 3 344.455 2.483 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H](N4CCOCC4)C3)ccc2O1 ZINC001249244804 1317031072 /nfs/dbraw/zinc/03/10/72/1317031072.db2.gz NHBZOVYZEKYGNA-MRXNPFEDSA-N 0 3 344.455 2.483 20 10 EECDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CC1=O ZINC001254234473 1318021283 /nfs/dbraw/zinc/02/12/83/1318021283.db2.gz GGADVDOBJQLHAQ-LBPRGKRZSA-N 0 3 336.388 2.114 20 10 EECDHN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C[C@H]1C(=O)OC ZINC001257725213 1319060682 /nfs/dbraw/zinc/06/06/82/1319060682.db2.gz BNMOQCYLVJHLOZ-RBSFLKMASA-N 0 3 349.427 2.230 20 10 EECDHN O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21)NCC1CC1 ZINC001203552380 1321910680 /nfs/dbraw/zinc/91/06/80/1321910680.db2.gz LNUYXSFXVJWSEA-KURKYZTESA-N 0 3 344.455 2.003 20 10 EECDHN O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21)NCC1CC1 ZINC001203552380 1321910682 /nfs/dbraw/zinc/91/06/82/1321910682.db2.gz LNUYXSFXVJWSEA-KURKYZTESA-N 0 3 344.455 2.003 20 10 EECDHN Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3ccccc3O)C[C@H]21 ZINC001203552876 1321911099 /nfs/dbraw/zinc/91/10/99/1321911099.db2.gz UCWPTYWMIHMTRK-MJGOQNOKSA-N 0 3 343.427 2.082 20 10 EECDHN CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2O)CC12COC2 ZINC001203562034 1321912566 /nfs/dbraw/zinc/91/25/66/1321912566.db2.gz BUISBARITINEKX-HNNXBMFYSA-N 0 3 334.416 2.118 20 10 EECDHN CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2[O-])CC12COC2 ZINC001203562034 1321912568 /nfs/dbraw/zinc/91/25/68/1321912568.db2.gz BUISBARITINEKX-HNNXBMFYSA-N 0 3 334.416 2.118 20 10 EECDHN CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2[O-])CC12COC2 ZINC001203562034 1321912570 /nfs/dbraw/zinc/91/25/70/1321912570.db2.gz BUISBARITINEKX-HNNXBMFYSA-N 0 3 334.416 2.118 20 10 EECDHN COc1ccc(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c([O-])c1 ZINC001203622925 1321925006 /nfs/dbraw/zinc/92/50/06/1321925006.db2.gz FSYZVHPPQXTXMY-GASCZTMLSA-N 0 3 345.468 2.421 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c([O-])c1 ZINC001203622925 1321925007 /nfs/dbraw/zinc/92/50/07/1321925007.db2.gz FSYZVHPPQXTXMY-GASCZTMLSA-N 0 3 345.468 2.421 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001203635415 1321929118 /nfs/dbraw/zinc/92/91/18/1321929118.db2.gz SUXVHZFKJFXLKJ-HNNXBMFYSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@H](Oc3cccc(OC)n3)C2)c([O-])c1 ZINC001203635415 1321929121 /nfs/dbraw/zinc/92/91/21/1321929121.db2.gz SUXVHZFKJFXLKJ-HNNXBMFYSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)c([O-])c1 ZINC001203634686 1321929177 /nfs/dbraw/zinc/92/91/77/1321929177.db2.gz QSUFHBFIQZOBRQ-UHFFFAOYSA-N 0 3 340.379 2.458 20 10 EECDHN COC(=O)[C@H]1CN(Cc2ccc(O)c(O)c2)C[C@H]1c1ccccc1 ZINC001203884593 1321982340 /nfs/dbraw/zinc/98/23/40/1321982340.db2.gz VKTQTRYXMRYGPB-HOTGVXAUSA-N 0 3 327.380 2.486 20 10 EECDHN CN(C)c1ccc(CN2CCN3CCOC[C@@H]3C2)c2ccccc21 ZINC001204235024 1322086592 /nfs/dbraw/zinc/08/65/92/1322086592.db2.gz CZIAUYNIXVVHFW-KRWDZBQOSA-N 0 3 325.456 2.422 20 10 EECDHN O=C(Cc1ccccc1)N1CCCN(Cc2ccc(O)cc2O)CC1 ZINC001204279990 1322102621 /nfs/dbraw/zinc/10/26/21/1322102621.db2.gz HOOSYTJCSJLPCF-UHFFFAOYSA-N 0 3 340.423 2.375 20 10 EECDHN CC(C)(C)OC(=O)N1CCO[C@H](CN2CCc3cccc(O)c3C2)C1 ZINC001208102149 1324316430 /nfs/dbraw/zinc/31/64/30/1324316430.db2.gz YHXFEXKIRUTELZ-OAHLLOKOSA-N 0 3 348.443 2.386 20 10 EECDHN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@@H](N2CCCC2)C1 ZINC001338751040 1336903476 /nfs/dbraw/zinc/90/34/76/1336903476.db2.gz QMSHIQUVQGGFCB-GFCCVEGCSA-N 0 3 333.461 2.314 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)c([O-])c1 ZINC001140952586 1372726334 /nfs/dbraw/zinc/72/63/34/1372726334.db2.gz YCUISTCBYUODTA-JENIJYKNSA-N 0 3 344.455 2.206 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)c([O-])c1 ZINC001140952586 1372726339 /nfs/dbraw/zinc/72/63/39/1372726339.db2.gz YCUISTCBYUODTA-JENIJYKNSA-N 0 3 344.455 2.206 20 10 EECDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)[C@H]1COCC12OCCO2 ZINC000840796389 783005256 /nfs/dbraw/zinc/00/52/56/783005256.db2.gz MHHNVDGCPPXBCX-GDBMZVCRSA-N 0 3 333.428 2.385 20 10 EECDHN CNC(=O)OC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000809779687 783385186 /nfs/dbraw/zinc/38/51/86/783385186.db2.gz WDVOJZVDCRXCST-SFHVURJKSA-N 0 3 347.459 2.234 20 10 EECDHN COC(=O)N1CCC(N2CCN(c3ccc(OC)cc3C)CC2)CC1 ZINC001172739414 797076398 /nfs/dbraw/zinc/07/63/98/797076398.db2.gz IVQWJWATSHCKFF-UHFFFAOYSA-N 0 3 347.459 2.356 20 10 EECDHN NS(=O)(=O)[C@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000785978922 806650072 /nfs/dbraw/zinc/65/00/72/806650072.db2.gz KKZLVQDGBYWQDX-KRWDZBQOSA-N 0 3 346.452 2.312 20 10 EECDHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000788421528 807510023 /nfs/dbraw/zinc/51/00/23/807510023.db2.gz FGULPXWIRIAJSM-UHFFFAOYSA-N 0 3 347.484 2.293 20 10 EECDHN C[C@@H](NCc1cccc(OCC(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000128814475 462672176 /nfs/dbraw/zinc/67/21/76/462672176.db2.gz DWKFNEHDADQISP-CQSZACIVSA-N 0 3 327.428 2.468 20 10 EECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000194260470 463822804 /nfs/dbraw/zinc/82/28/04/463822804.db2.gz LDHYQGQEFOPVHR-CRAIPNDOSA-N 0 3 335.492 2.323 20 10 EECDHN CCOc1ccc(O)c(CN2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000278798190 463986853 /nfs/dbraw/zinc/98/68/53/463986853.db2.gz WGRVJEZBUGONEC-OAHLLOKOSA-N 0 3 334.460 2.476 20 10 EECDHN Cc1ccc([O-])c(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000172120917 463993409 /nfs/dbraw/zinc/99/34/09/463993409.db2.gz YTNXMPSOJPPBGJ-UHFFFAOYSA-N 0 3 348.415 2.055 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000290643717 464126822 /nfs/dbraw/zinc/12/68/22/464126822.db2.gz YQELMJFBARWVCT-CQSZACIVSA-N 0 3 349.431 2.473 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000290643717 464126829 /nfs/dbraw/zinc/12/68/29/464126829.db2.gz YQELMJFBARWVCT-CQSZACIVSA-N 0 3 349.431 2.473 20 10 EECDHN CN(C)c1ccc(CN2CC[C@](C)(C(N)=O)C2)c(C(F)(F)F)c1 ZINC000280124941 464189495 /nfs/dbraw/zinc/18/94/95/464189495.db2.gz BZYDMWDOZVWKSP-HNNXBMFYSA-N 0 3 329.366 2.469 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000235835466 464211521 /nfs/dbraw/zinc/21/15/21/464211521.db2.gz KXSCZZNIGRIBLC-AWEZNQCLSA-N 0 3 327.222 2.160 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000235835466 464211531 /nfs/dbraw/zinc/21/15/31/464211531.db2.gz KXSCZZNIGRIBLC-AWEZNQCLSA-N 0 3 327.222 2.160 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@]2(C)CCCO)cc1 ZINC000271194849 464287663 /nfs/dbraw/zinc/28/76/63/464287663.db2.gz NVVJISVVQSAAIX-HXUWFJFHSA-N 0 3 347.503 2.338 20 10 EECDHN COc1cc(Cl)cc(CN2CCN(CC(C)(C)O)C[C@H]2C)c1O ZINC000188741507 464356628 /nfs/dbraw/zinc/35/66/28/464356628.db2.gz HGRFUZWENDPEJN-GFCCVEGCSA-N 0 3 342.867 2.331 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1C ZINC000284978678 464414347 /nfs/dbraw/zinc/41/43/47/464414347.db2.gz DNDFWTSYFBPNPI-HNNXBMFYSA-N 0 3 340.489 2.112 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1C ZINC000284978678 464414351 /nfs/dbraw/zinc/41/43/51/464414351.db2.gz DNDFWTSYFBPNPI-HNNXBMFYSA-N 0 3 340.489 2.112 20 10 EECDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000189391867 464492023 /nfs/dbraw/zinc/49/20/23/464492023.db2.gz PLAQZHSTAAZJEC-UONOGXRCSA-N 0 3 337.439 2.180 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c([O-])c1 ZINC000273621924 464723065 /nfs/dbraw/zinc/72/30/65/464723065.db2.gz ZKLHRVIZJIBPJG-NVXWUHKLSA-N 0 3 333.476 2.294 20 10 EECDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000282407089 464807104 /nfs/dbraw/zinc/80/71/04/464807104.db2.gz SAAKADRAGOETCJ-GFCCVEGCSA-N 0 3 327.419 2.347 20 10 EECDHN CCOC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000286126831 464812885 /nfs/dbraw/zinc/81/28/85/464812885.db2.gz MKVZBENSNKSHMZ-GOSISDBHSA-N 0 3 335.492 2.362 20 10 EECDHN CCCN(Cc1ccccc1O)C(=O)NCCN(C)CCCOC ZINC000266827451 464836363 /nfs/dbraw/zinc/83/63/63/464836363.db2.gz RYISTZDVZBBERF-UHFFFAOYSA-N 0 3 337.464 2.282 20 10 EECDHN C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccccc1[O-] ZINC000183424223 464863101 /nfs/dbraw/zinc/86/31/01/464863101.db2.gz LHLDQBUYFNYUKW-HNNXBMFYSA-N 0 3 326.444 2.390 20 10 EECDHN Cc1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c([O-])c1O ZINC000276262971 464868744 /nfs/dbraw/zinc/86/87/44/464868744.db2.gz OYRPPZDJTQVSQT-UHFFFAOYSA-N 0 3 328.412 2.440 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@]1(CO)CCOC1 ZINC000184196490 464952853 /nfs/dbraw/zinc/95/28/53/464952853.db2.gz FXXJOZMRJOIAIM-LJQANCHMSA-N 0 3 329.396 2.212 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000093665024 528662803 /nfs/dbraw/zinc/66/28/03/528662803.db2.gz KEEXLWVPYGBPTK-INIZCTEOSA-N 0 3 334.460 2.335 20 10 EECDHN CCCOc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000093665024 528662809 /nfs/dbraw/zinc/66/28/09/528662809.db2.gz KEEXLWVPYGBPTK-INIZCTEOSA-N 0 3 334.460 2.335 20 10 EECDHN CCOc1ccc(O)c(CNCc2cccc(OCC(=O)NC)c2)c1 ZINC000725847026 576066453 /nfs/dbraw/zinc/06/64/53/576066453.db2.gz SFYAYWNITXEVMO-UHFFFAOYSA-N 0 3 344.411 2.206 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+]Cc2cccc(OCC(=O)NC)c2)c1 ZINC000725847026 576066454 /nfs/dbraw/zinc/06/64/54/576066454.db2.gz SFYAYWNITXEVMO-UHFFFAOYSA-N 0 3 344.411 2.206 20 10 EECDHN C[C@H](NCC(=O)N1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775258879 577433820 /nfs/dbraw/zinc/43/38/20/577433820.db2.gz LMFJHYQNCDPNKB-SJORKVTESA-N 0 3 345.487 2.432 20 10 EECDHN [O-]c1cc2c(cc1CN1CCC[C@@H]([NH+]3CCCC3)CC1)[C@@H](O)CO2 ZINC000768448899 577556007 /nfs/dbraw/zinc/55/60/07/577556007.db2.gz YCYONKDUMLKYBL-QAPCUYQASA-N 0 3 332.444 2.268 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000741790612 578124398 /nfs/dbraw/zinc/12/43/98/578124398.db2.gz IYCSKHWKQDLUAB-IRXDYDNUSA-N 0 3 345.487 2.464 20 10 EECDHN COCC[C@H](C)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273664911 679657458 /nfs/dbraw/zinc/65/74/58/679657458.db2.gz YJMVMUQTOIOWJI-AWEZNQCLSA-N 0 3 338.448 2.259 20 10 EECDHN C[C@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)n1ccnc1 ZINC000891246900 676240834 /nfs/dbraw/zinc/24/08/34/676240834.db2.gz QROOZGIBFNNBMA-QAPCUYQASA-N 0 3 343.475 2.319 20 10 EECDHN CCCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891249561 676244431 /nfs/dbraw/zinc/24/44/31/676244431.db2.gz USFKSGCPJHSVEM-GOSISDBHSA-N 0 3 343.475 2.392 20 10 EECDHN CCOCCO[C@H]1CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000892234823 678289157 /nfs/dbraw/zinc/28/91/57/678289157.db2.gz INYLKHUMDCNPLD-AWEZNQCLSA-N 0 3 325.405 2.037 20 10 EECDHN CN1CCCc2cc(CNC(=O)N3CC[C@H]4[C@@H]3CCCN4C)ccc21 ZINC000892491680 681203261 /nfs/dbraw/zinc/20/32/61/681203261.db2.gz FAWNKWUYGPOYHQ-OALUTQOASA-N 0 3 342.487 2.447 20 10 EECDHN COc1ccc(CNCc2cnn(CC(F)(F)F)c2)c(O)c1OC ZINC000893147910 683856421 /nfs/dbraw/zinc/85/64/21/683856421.db2.gz HBMMQXGVTPMXDW-UHFFFAOYSA-N 0 3 345.321 2.458 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCCOC2CCC2)N(C)C)cc1 ZINC000893312373 684633689 /nfs/dbraw/zinc/63/36/89/684633689.db2.gz PLUMVNRISVXLDO-SFHVURJKSA-N 0 3 348.491 2.224 20 10 EECDHN Cc1nocc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896086633 684829679 /nfs/dbraw/zinc/82/96/79/684829679.db2.gz FHOLULBBTXQFMA-KRWDZBQOSA-N 0 3 345.447 2.151 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CC2(C)COC2)N(C)C)cc1 ZINC000899097621 693601810 /nfs/dbraw/zinc/60/18/10/693601810.db2.gz CPBQMLGVENDHLL-KRWDZBQOSA-N 0 3 348.491 2.033 20 10 EECDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000133777407 1202238514 /nfs/dbraw/zinc/23/85/14/1202238514.db2.gz NAYJZMYBXCQOLK-GOSISDBHSA-N 0 3 348.491 2.005 20 10 EECDHN COc1ccc(N2CCCN(C(=O)NC[C@H]3CCCN3C)CC2)cc1 ZINC000139738912 1204188319 /nfs/dbraw/zinc/18/83/19/1204188319.db2.gz HCSQPWOMNDMVGB-QGZVFWFLSA-N 0 3 346.475 2.011 20 10 EECDHN COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275266748 1205293952 /nfs/dbraw/zinc/29/39/52/1205293952.db2.gz DOWZVGVIRPIWSU-IBGZPJMESA-N 0 3 334.460 2.301 20 10 EECDHN COCCOCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275266748 1205293953 /nfs/dbraw/zinc/29/39/53/1205293953.db2.gz DOWZVGVIRPIWSU-IBGZPJMESA-N 0 3 334.460 2.301 20 10 EECDHN COc1cc(CN2CC3(C2)CCN(Cc2ccc[nH]2)C3)c(O)cc1O ZINC001276092480 1205777347 /nfs/dbraw/zinc/77/73/47/1205777347.db2.gz KYKCQJYGPLQHBT-UHFFFAOYSA-N 0 3 343.427 2.142 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Nc2cnsn2)N(C)C)cc1 ZINC000931394219 1206626402 /nfs/dbraw/zinc/62/64/02/1206626402.db2.gz UPSJBEJZSJCYAK-CYBMUJFWSA-N 0 3 334.449 2.029 20 10 EECDHN Cc1nocc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000931817438 1207469607 /nfs/dbraw/zinc/46/96/07/1207469607.db2.gz UBIJFSBPKHRDKR-INIZCTEOSA-N 0 3 331.420 2.473 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)N(C)C)cc1 ZINC000038635177 1229935238 /nfs/dbraw/zinc/93/52/38/1229935238.db2.gz MWALUJZSIWVDSN-AWEZNQCLSA-N 0 3 346.387 2.287 20 10 EECDHN O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CCNC[C@@H]3F)cccc21 ZINC001218064241 1297560920 /nfs/dbraw/zinc/56/09/20/1297560920.db2.gz IEADQQUPEZSFTC-GXTWGEPZSA-N 0 3 341.338 2.246 20 10 EECDHN NC(=O)[C@@H]1OC2(CC[NH+](Cc3ccccc3[O-])CC2)c2ccccc21 ZINC001277440576 1303025969 /nfs/dbraw/zinc/02/59/69/1303025969.db2.gz CIXSKOVWWBSXQL-GOSISDBHSA-N 0 3 338.407 2.440 20 10 EECDHN COc1cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c(O)cc1O ZINC001231634191 1303872217 /nfs/dbraw/zinc/87/22/17/1303872217.db2.gz IYJNOJDRDUHULX-AWEZNQCLSA-N 0 3 335.322 2.386 20 10 EECDHN CCOC(=O)c1c(CN2CCN(C)[C@H](C)C2)c2ccccc2n1C ZINC001233272326 1304412403 /nfs/dbraw/zinc/41/24/03/1304412403.db2.gz HAJLXWWGPORPEN-CQSZACIVSA-N 0 3 329.444 2.491 20 10 EECDHN CCOC(=O)c1c(CN2CCN3CC[C@@H]3C2)c2ccccc2n1C ZINC001233273833 1304414248 /nfs/dbraw/zinc/41/42/48/1304414248.db2.gz UHPNYUSLYZDQRU-CQSZACIVSA-N 0 3 327.428 2.245 20 10 EECDHN C[C@H]1CN(Cc2cc(O)c(O)cc2O)CCC[C@]1(O)C(F)(F)F ZINC001233483274 1304477480 /nfs/dbraw/zinc/47/74/80/1304477480.db2.gz TZRPFASVZLHFFJ-LKFCYVNXSA-N 0 3 335.322 2.329 20 10 EECDHN COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237048435 1305776959 /nfs/dbraw/zinc/77/69/59/1305776959.db2.gz GBGFNWVIPRILFQ-HZPDHXFCSA-N 0 3 349.427 2.300 20 10 EECDHN CCOc1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001237043059 1305777523 /nfs/dbraw/zinc/77/75/23/1305777523.db2.gz NDRYNOZYEAFMCZ-IYBDPMFKSA-N 0 3 340.427 2.149 20 10 EECDHN CCOc1ccc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001237043059 1305777531 /nfs/dbraw/zinc/77/75/31/1305777531.db2.gz NDRYNOZYEAFMCZ-IYBDPMFKSA-N 0 3 340.427 2.149 20 10 EECDHN COCC[NH+](CCOC)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237052420 1305780015 /nfs/dbraw/zinc/78/00/15/1305780015.db2.gz YCOGEBKWPCGRKZ-UHFFFAOYSA-N 0 3 337.338 2.428 20 10 EECDHN CO[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000831528176 1314596663 /nfs/dbraw/zinc/59/66/63/1314596663.db2.gz MJYGDIPAZFOQBO-CRAIPNDOSA-N 0 3 333.476 2.068 20 10 EECDHN Cc1ccc(C(=O)C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000832282479 1314669624 /nfs/dbraw/zinc/66/96/24/1314669624.db2.gz ZTYVFMGVDFXRKH-KRWDZBQOSA-N 0 3 325.412 2.060 20 10 EECDHN NC(=O)c1ccccc1N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834578444 1314850423 /nfs/dbraw/zinc/85/04/23/1314850423.db2.gz PUJPABXYJVOEAR-GDBMZVCRSA-N 0 3 337.423 2.347 20 10 EECDHN CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834766649 1314871594 /nfs/dbraw/zinc/87/15/94/1314871594.db2.gz WEKCTCQIPDWRTH-HNNXBMFYSA-N 0 3 338.473 2.031 20 10 EECDHN COc1cc(O)c(CN2CC[C@@]3(C2)CC(F)(F)CO3)c(OC)c1 ZINC001141029349 1315020917 /nfs/dbraw/zinc/02/09/17/1315020917.db2.gz QRKMHORGXGIFLV-HNNXBMFYSA-N 0 3 329.343 2.410 20 10 EECDHN O=C1[C@H](NCc2cc3c(cc2O)OCO3)CCN1c1ccc(F)cc1 ZINC000840968350 1315448179 /nfs/dbraw/zinc/44/81/79/1315448179.db2.gz XLXRZNIMZPOYKQ-CQSZACIVSA-N 0 3 344.342 2.155 20 10 EECDHN [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000843121943 1315848119 /nfs/dbraw/zinc/84/81/19/1315848119.db2.gz MCHQBPHQLJPISW-NSHDSACASA-N 0 3 343.830 2.004 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC001249201188 1317021865 /nfs/dbraw/zinc/02/18/65/1317021865.db2.gz JPPUDUPVQJMCAV-KRWDZBQOSA-N 0 3 342.395 2.156 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC001249201188 1317021874 /nfs/dbraw/zinc/02/18/74/1317021874.db2.gz JPPUDUPVQJMCAV-KRWDZBQOSA-N 0 3 342.395 2.156 20 10 EECDHN Cn1ccc2c1ncnc2NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156655740 1318142389 /nfs/dbraw/zinc/14/23/89/1318142389.db2.gz IHFDETLDQRYIFW-UHFFFAOYSA-N 0 3 336.443 2.332 20 10 EECDHN CN1CCc2nc(Cl)nc(N3CCCc4ccc(CN)nc43)c2C1 ZINC001158655599 1319360288 /nfs/dbraw/zinc/36/02/88/1319360288.db2.gz HDJYSOSTDGLKQE-UHFFFAOYSA-N 0 3 344.850 2.056 20 10 EECDHN COC(=O)c1ccc(CN2CCN(Cc3ccccc3O)CC2)cc1 ZINC001203556185 1321911482 /nfs/dbraw/zinc/91/14/82/1321911482.db2.gz MPXUAQOKWFVWMR-UHFFFAOYSA-N 0 3 340.423 2.497 20 10 EECDHN COc1ccnc(O[C@H]2CCCN(Cc3cccc(OC)c3O)C2)n1 ZINC001203601758 1321920767 /nfs/dbraw/zinc/92/07/67/1321920767.db2.gz JYECQCKCBLIATF-AWEZNQCLSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001203634896 1321929516 /nfs/dbraw/zinc/92/95/16/1321929516.db2.gz AIAMPJOLLPVRCH-INIZCTEOSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)c([O-])c1 ZINC001203634896 1321929518 /nfs/dbraw/zinc/92/95/18/1321929518.db2.gz AIAMPJOLLPVRCH-INIZCTEOSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(O)c(CN2CCC(Oc3ncc(F)cn3)CC2)c1 ZINC001203681479 1321939841 /nfs/dbraw/zinc/93/98/41/1321939841.db2.gz YVGWIGHPSDEZDI-UHFFFAOYSA-N 0 3 333.363 2.373 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001204273263 1322099401 /nfs/dbraw/zinc/09/94/01/1322099401.db2.gz MEAQFHWUWSBYGG-IBGZPJMESA-N 0 3 340.427 2.380 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001204273263 1322099409 /nfs/dbraw/zinc/09/94/09/1322099409.db2.gz MEAQFHWUWSBYGG-IBGZPJMESA-N 0 3 340.427 2.380 20 10 EECDHN [O-]c1cc(O)ccc1C[NH+]1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001204274009 1322100298 /nfs/dbraw/zinc/10/02/98/1322100298.db2.gz YEHWHWDXCLGTJV-ZIAGYGMSSA-N 0 3 331.441 2.118 20 10 EECDHN C[C@H]1CN(Cc2ccc(I)cc2[O-])C[C@H]1C[NH3+] ZINC001205146402 1322297372 /nfs/dbraw/zinc/29/73/72/1322297372.db2.gz UOXYCQXYNDKMGK-GXSJLCMTSA-N 0 3 346.212 2.023 20 10 EECDHN CC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Br)ccc1[O-] ZINC000717428984 1369669590 /nfs/dbraw/zinc/66/95/90/1369669590.db2.gz WYGZQRGVIXDJDZ-YPMHNXCESA-N 0 3 331.254 2.118 20 10 EECDHN COc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[C@H](C)CC2)cc1C ZINC001755645345 1407701015 /nfs/dbraw/zinc/70/10/15/1407701015.db2.gz QIHIIDGNPHGSPH-WBAXXEDZSA-N 0 3 348.487 2.397 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)OC[C@H]2CCCO2)N(C)C)cc1 ZINC000908460227 785428511 /nfs/dbraw/zinc/42/85/11/785428511.db2.gz PULZEZYIEQAHMJ-IAGOWNOFSA-N 0 3 335.448 2.261 20 10 EECDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1(O)CCN(C)CC1 ZINC001182036698 801004653 /nfs/dbraw/zinc/00/46/53/801004653.db2.gz IWXNGJCYTCBTBZ-KRWDZBQOSA-N 0 3 346.471 2.205 20 10 EECDHN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCN1C1CC1 ZINC000787053919 806991427 /nfs/dbraw/zinc/99/14/27/806991427.db2.gz QXIPOODMCWPZFL-GOSISDBHSA-N 0 3 345.512 2.483 20 10 EECDHN CCOCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000790760557 808887734 /nfs/dbraw/zinc/88/77/34/808887734.db2.gz NOAOEMSSSFWJDL-YRGRVCCFSA-N 0 3 327.396 2.083 20 10 EECDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1 ZINC000808218471 812522507 /nfs/dbraw/zinc/52/25/07/812522507.db2.gz ILEZQLPMUWKEMW-GOSISDBHSA-N 0 3 341.455 2.281 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)cc1F ZINC000291840390 529781551 /nfs/dbraw/zinc/78/15/51/529781551.db2.gz LSRYTUVOYOGSPJ-SFHVURJKSA-N 0 3 334.439 2.129 20 10 EECDHN C[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)N(C)C1CC1 ZINC000108796473 237122648 /nfs/dbraw/zinc/12/26/48/237122648.db2.gz UDMRNPJSMOWFLM-ZWIJEDICSA-N 0 3 343.471 2.135 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1[O-] ZINC000195007437 291661814 /nfs/dbraw/zinc/66/18/14/291661814.db2.gz MABDNZUTCQHZLT-QPUJVOFHSA-N 0 3 327.222 2.077 20 10 EECDHN CNC(=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 ZINC000045098270 462559266 /nfs/dbraw/zinc/55/92/66/462559266.db2.gz WYVSKVZZKQZKJH-UHFFFAOYSA-N 0 3 339.439 2.173 20 10 EECDHN CCN(CC)C(=O)CN1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000129212896 462695178 /nfs/dbraw/zinc/69/51/78/462695178.db2.gz YLAXZTOYWOSSDN-UHFFFAOYSA-N 0 3 346.519 2.129 20 10 EECDHN CCC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000170779219 463704743 /nfs/dbraw/zinc/70/47/43/463704743.db2.gz FEPJSHGPHRHRGH-UHFFFAOYSA-N 0 3 333.432 2.325 20 10 EECDHN CCC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000170779219 463704744 /nfs/dbraw/zinc/70/47/44/463704744.db2.gz FEPJSHGPHRHRGH-UHFFFAOYSA-N 0 3 333.432 2.325 20 10 EECDHN C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(F)ccc1[O-] ZINC000185141327 463762014 /nfs/dbraw/zinc/76/20/14/463762014.db2.gz ATHWMFZSZDILNA-CXAGYDPISA-N 0 3 340.464 2.390 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000194260457 463823674 /nfs/dbraw/zinc/82/36/74/463823674.db2.gz LDHYQGQEFOPVHR-YJBOKZPZSA-N 0 3 335.492 2.323 20 10 EECDHN Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2=O)n(C)n1 ZINC000186083807 463933749 /nfs/dbraw/zinc/93/37/49/463933749.db2.gz IFHYDWDCZFXRKK-BXUZGUMPSA-N 0 3 332.379 2.029 20 10 EECDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000271096878 464279255 /nfs/dbraw/zinc/27/92/55/464279255.db2.gz MZYTYUIJKIMKQO-CYBMUJFWSA-N 0 3 335.400 2.185 20 10 EECDHN COC(=O)[C@H]1CC12CCN(Cc1cc(OC)c(OC)cc1O)CC2 ZINC000271096878 464279261 /nfs/dbraw/zinc/27/92/61/464279261.db2.gz MZYTYUIJKIMKQO-CYBMUJFWSA-N 0 3 335.400 2.185 20 10 EECDHN Cc1cc(CN(CCO)CCOCC(F)(F)F)ccc1N(C)C ZINC000293131322 464387556 /nfs/dbraw/zinc/38/75/56/464387556.db2.gz PSXLDCRWHJCKDC-UHFFFAOYSA-N 0 3 334.382 2.434 20 10 EECDHN C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000285499316 464586306 /nfs/dbraw/zinc/58/63/06/464586306.db2.gz AGBADUIMCYAYCB-IINYFYTJSA-N 0 3 336.329 2.445 20 10 EECDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000190424481 464641563 /nfs/dbraw/zinc/64/15/63/464641563.db2.gz ZAWPCHJVNBZXQL-GUYCJALGSA-N 0 3 345.399 2.347 20 10 EECDHN CC[C@H](C)N1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000295630937 464910586 /nfs/dbraw/zinc/91/05/86/464910586.db2.gz BUYGMYXPTVRWJU-KRWDZBQOSA-N 0 3 346.519 2.127 20 10 EECDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccccc1[O-] ZINC000364363750 466696918 /nfs/dbraw/zinc/69/69/18/466696918.db2.gz ORPNFHXWGXOXFU-XAYKYTGQSA-N 0 3 331.416 2.153 20 10 EECDHN Cc1nn(C)c(Cl)c1/C=C\C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000493835388 467993859 /nfs/dbraw/zinc/99/38/59/467993859.db2.gz JBSGAYOVMDQCFX-WSROAFLRSA-N 0 3 330.819 2.312 20 10 EECDHN CCN(Cc1cnn(C)c1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775661163 577442055 /nfs/dbraw/zinc/44/20/55/577442055.db2.gz MORLEVBXJFVWRH-UHFFFAOYSA-N 0 3 327.476 2.194 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H](C)C3)CC2)cc1 ZINC000775729796 577444031 /nfs/dbraw/zinc/44/40/31/577444031.db2.gz SPTGQWHISFKUFP-QGZVFWFLSA-N 0 3 345.487 2.466 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@@H](CCCN3C3CC3)C1)[C@H](O)CO2 ZINC000768462929 577556287 /nfs/dbraw/zinc/55/62/87/577556287.db2.gz OXCJZSXEOMLWJD-BOFPYLFWSA-N 0 3 344.455 2.267 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3[C@@H](CCCN3C3CC3)C1)[C@H](O)CO2 ZINC000768462929 577556288 /nfs/dbraw/zinc/55/62/88/577556288.db2.gz OXCJZSXEOMLWJD-BOFPYLFWSA-N 0 3 344.455 2.267 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CCc2ccn(C)n2)c1[O-] ZINC000760634683 577667268 /nfs/dbraw/zinc/66/72/68/577667268.db2.gz SNBYELJZJQLOSF-UHFFFAOYSA-N 0 3 340.221 2.229 20 10 EECDHN C[C@H](NCCC(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000764605887 577739814 /nfs/dbraw/zinc/73/98/14/577739814.db2.gz FHMMFLQWOHTHDG-INIZCTEOSA-N 0 3 331.460 2.186 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000756548841 577846406 /nfs/dbraw/zinc/84/64/06/577846406.db2.gz LPBLJTISTMXOMV-IPYPFGDCSA-N 0 3 349.450 2.257 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cn2cc(Cl)cn2)N(C)C)cc1 ZINC000891247873 676242982 /nfs/dbraw/zinc/24/29/82/676242982.db2.gz LCAKRTGAHPJTRV-INIZCTEOSA-N 0 3 349.866 2.022 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(O)c2)N(C)C)cc1 ZINC000891257498 676252261 /nfs/dbraw/zinc/25/22/61/676252261.db2.gz HOZIAGFJTRRFOI-GOSISDBHSA-N 0 3 327.428 2.491 20 10 EECDHN COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000091985296 676905206 /nfs/dbraw/zinc/90/52/06/676905206.db2.gz BQLSKWSSWZTNPH-SECBINFHSA-N 0 3 346.221 2.404 20 10 EECDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000091985296 676905207 /nfs/dbraw/zinc/90/52/07/676905207.db2.gz BQLSKWSSWZTNPH-SECBINFHSA-N 0 3 346.221 2.404 20 10 EECDHN COc1cc(C)cc(CNCCS(=O)(=O)Cc2ccccc2)c1O ZINC000894209748 681249594 /nfs/dbraw/zinc/24/95/94/681249594.db2.gz VTUREDQIFZEIOF-UHFFFAOYSA-N 0 3 349.452 2.414 20 10 EECDHN CSC[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893099985 683751424 /nfs/dbraw/zinc/75/14/24/683751424.db2.gz WQRRWUGYGVWHSE-BBRMVZONSA-N 0 3 338.521 2.406 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]CCN1Cc2ccccc2OCC1=O ZINC000896280800 684926619 /nfs/dbraw/zinc/92/66/19/684926619.db2.gz KQNUDDJVBGWWMI-UHFFFAOYSA-N 0 3 326.396 2.211 20 10 EECDHN COc1ccc(CNC[C@@H](O)c2ccco2)cc1Cn1cccn1 ZINC000873010669 1198473863 /nfs/dbraw/zinc/47/38/63/1198473863.db2.gz LCDYRXQOCXHFJJ-MRXNPFEDSA-N 0 3 327.384 2.356 20 10 EECDHN COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649281 1201193032 /nfs/dbraw/zinc/19/30/32/1201193032.db2.gz PANWQZBNGNEVPP-KGLIPLIRSA-N 0 3 347.411 2.500 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](N)CC3CC3)cc2F)C[C@H](C)O1 ZINC000884194768 1202259152 /nfs/dbraw/zinc/25/91/52/1202259152.db2.gz RBPCJNGAEKZQHE-AHIWAGSCSA-N 0 3 349.450 2.183 20 10 EECDHN CCOc1ccc(N2CCC[C@]23CCN(CCN(C)C)C3=O)cc1 ZINC001274799960 1205167983 /nfs/dbraw/zinc/16/79/83/1205167983.db2.gz XJGSYXVZSASBCD-LJQANCHMSA-N 0 3 331.460 2.218 20 10 EECDHN COCCOCN1CC2(C1)C[NH+](Cc1c([O-])ccc3ccccc31)C2 ZINC001276077248 1205761807 /nfs/dbraw/zinc/76/18/07/1205761807.db2.gz BLCYAPVRMCKRPK-UHFFFAOYSA-N 0 3 342.439 2.284 20 10 EECDHN Cc1c(O)ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c1O ZINC001276118221 1205782161 /nfs/dbraw/zinc/78/21/61/1205782161.db2.gz RYPRBVSNOHDWIE-CALCHBBNSA-N 0 3 332.444 2.234 20 10 EECDHN Oc1cc2c(cc1CNCc1cccnc1N1CCCC1)OCO2 ZINC000850352724 1277196100 /nfs/dbraw/zinc/19/61/00/1277196100.db2.gz GOARYCOSIXIGLL-UHFFFAOYSA-N 0 3 327.384 2.406 20 10 EECDHN CCOCCN(C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194374100 1282996521 /nfs/dbraw/zinc/99/65/21/1282996521.db2.gz CJKSMNCNXIXDLQ-OAHLLOKOSA-N 0 3 347.419 2.032 20 10 EECDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000857061005 1293710755 /nfs/dbraw/zinc/71/07/55/1293710755.db2.gz HVKSXGSKXBZMHO-GOSISDBHSA-N 0 3 331.416 2.080 20 10 EECDHN COC(=O)N1CCC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858123369 1294013917 /nfs/dbraw/zinc/01/39/17/1294013917.db2.gz WTRZODIUHORZDN-LBPRGKRZSA-N 0 3 327.375 2.351 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N(C)C)C2)c([O-])c1 ZINC001277456408 1303216291 /nfs/dbraw/zinc/21/62/91/1303216291.db2.gz FMNCEJBIEKLCCD-VQIMIIECSA-N 0 3 332.444 2.481 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)N(C)C)C2)c([O-])c1 ZINC001277456408 1303216297 /nfs/dbraw/zinc/21/62/97/1303216297.db2.gz FMNCEJBIEKLCCD-VQIMIIECSA-N 0 3 332.444 2.481 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)c([O-])c1 ZINC001277457721 1303230763 /nfs/dbraw/zinc/23/07/63/1303230763.db2.gz PFAJTFLPMOAAFU-HGKCTWBKSA-N 0 3 342.439 2.257 20 10 EECDHN COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)c([O-])c1 ZINC001277457721 1303230769 /nfs/dbraw/zinc/23/07/69/1303230769.db2.gz PFAJTFLPMOAAFU-HGKCTWBKSA-N 0 3 342.439 2.257 20 10 EECDHN Cc1cc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)cc[nH+]1 ZINC001231566443 1303850205 /nfs/dbraw/zinc/85/02/05/1303850205.db2.gz KPDZDIQBGZFACL-UHFFFAOYSA-N 0 3 327.384 2.116 20 10 EECDHN Cc1cccc(CN2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c1O ZINC001231592411 1303859583 /nfs/dbraw/zinc/85/95/83/1303859583.db2.gz MSIVZJFMYMKENP-IBGZPJMESA-N 0 3 345.443 2.288 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](CC(=O)N4CC=CC4)O[C@H]3C2)c([O-])c1 ZINC001277568568 1303922137 /nfs/dbraw/zinc/92/21/37/1303922137.db2.gz SJCYKSIQQZQGKJ-LMMKCTJWSA-N 0 3 342.439 2.078 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@H](CC(=O)N4CC=CC4)O[C@H]3C2)c([O-])c1 ZINC001277568568 1303922140 /nfs/dbraw/zinc/92/21/40/1303922140.db2.gz SJCYKSIQQZQGKJ-LMMKCTJWSA-N 0 3 342.439 2.078 20 10 EECDHN CCOC(=O)[C@@H]1CCN(Cc2c(C)cc(OC)cc2O)CCC1=O ZINC001236814508 1305686516 /nfs/dbraw/zinc/68/65/16/1305686516.db2.gz SLQVVFUJXWZCSQ-CQSZACIVSA-N 0 3 335.400 2.053 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001237494636 1305957183 /nfs/dbraw/zinc/95/71/83/1305957183.db2.gz JZXHOTDGRAVHNP-UHFFFAOYSA-N 0 3 325.412 2.490 20 10 EECDHN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001237948037 1306156008 /nfs/dbraw/zinc/15/60/08/1306156008.db2.gz YRCWJUBMAYNRKI-UHFFFAOYSA-N 0 3 328.815 2.481 20 10 EECDHN C[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)C(F)F)c1ccccc1[O-] ZINC001251633305 1317479628 /nfs/dbraw/zinc/47/96/28/1317479628.db2.gz QALTXDKPPXGTFN-NXEZZACHSA-N 0 3 325.302 2.321 20 10 EECDHN CCN(C(=O)C12CC(NCc3cc(O)c(O)c(OC)c3)(C1)C2)C(C)C ZINC001278235520 1308878833 /nfs/dbraw/zinc/87/88/33/1308878833.db2.gz KVBSQIZAAWUCNS-UHFFFAOYSA-N 0 3 348.443 2.376 20 10 EECDHN CN(c1ccc(CNC(=O)[C@@H](N)C(C)(C)O)cc1)C1CCCCC1 ZINC001121915245 1310172939 /nfs/dbraw/zinc/17/29/39/1310172939.db2.gz DIYBTLUWMBMYLP-QGZVFWFLSA-N 0 3 333.476 2.170 20 10 EECDHN Cc1ccc(O)c(CN2CC3(C2)CCN(C(=O)c2cccnc2)C3)c1 ZINC001140620540 1314915987 /nfs/dbraw/zinc/91/59/87/1314915987.db2.gz RUKCQZLXGGPINA-UHFFFAOYSA-N 0 3 337.423 2.444 20 10 EECDHN COc1cccc(CN[C@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000840967640 1315448062 /nfs/dbraw/zinc/44/80/62/1315448062.db2.gz PWKCLFXFECTTKY-HNNXBMFYSA-N 0 3 330.359 2.435 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC001249725596 1317159478 /nfs/dbraw/zinc/15/94/78/1317159478.db2.gz QWLJYNXFEWKVDJ-MRXNPFEDSA-N 0 3 337.416 2.335 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC001249725596 1317159484 /nfs/dbraw/zinc/15/94/84/1317159484.db2.gz QWLJYNXFEWKVDJ-MRXNPFEDSA-N 0 3 337.416 2.335 20 10 EECDHN CN(C)C(=O)N[C@H]1COCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552347 1321910405 /nfs/dbraw/zinc/91/04/05/1321910405.db2.gz KTODAPDHYPPTPL-KRWDZBQOSA-N 0 3 347.459 2.035 20 10 EECDHN Oc1ccc(CN2C[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)cc1O ZINC001203876411 1321980098 /nfs/dbraw/zinc/98/00/98/1321980098.db2.gz DBGSTDKLLZJCGD-OKILXGFUSA-N 0 3 331.441 2.118 20 10 EECDHN CCn1cc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 ZINC001352750541 1338056155 /nfs/dbraw/zinc/05/61/55/1338056155.db2.gz OOKSTAVWITUYLZ-OAHLLOKOSA-N 0 3 349.866 2.411 20 10 EECDHN CCN1C[C@@H]2C[N@@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C[C@@H]2C1 ZINC001139130017 1372464150 /nfs/dbraw/zinc/46/41/50/1372464150.db2.gz NREDZHGESLMADI-OKILXGFUSA-N 0 3 328.412 2.191 20 10 EECDHN CCN1C[C@@H]2C[N@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C[C@@H]2C1 ZINC001139130017 1372464163 /nfs/dbraw/zinc/46/41/63/1372464163.db2.gz NREDZHGESLMADI-OKILXGFUSA-N 0 3 328.412 2.191 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001140952524 1372726502 /nfs/dbraw/zinc/72/65/02/1372726502.db2.gz WBIQFXMSOSMFPO-QKLQHJQFSA-N 0 3 344.455 2.302 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001140952524 1372726506 /nfs/dbraw/zinc/72/65/06/1372726506.db2.gz WBIQFXMSOSMFPO-QKLQHJQFSA-N 0 3 344.455 2.302 20 10 EECDHN Cc1cc(N2CC=C(CCNC(=O)CN(C)C(C)C)CC2)nc(C)n1 ZINC001089835662 777463721 /nfs/dbraw/zinc/46/37/21/777463721.db2.gz KDBKSXHWIVKXAT-UHFFFAOYSA-N 0 3 345.491 2.076 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1[O-] ZINC000817411791 784765035 /nfs/dbraw/zinc/76/50/35/784765035.db2.gz ZLAFIAPBQGPMGK-XYPYZODXSA-N 0 3 326.824 2.436 20 10 EECDHN COc1ccc(N2CC[C@H](CNCc3ccnc(OC)n3)C2)cc1 ZINC000818222973 785224555 /nfs/dbraw/zinc/22/45/55/785224555.db2.gz ZJSHYMHEYNRPTQ-CQSZACIVSA-N 0 3 328.416 2.110 20 10 EECDHN O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC001148590267 792574444 /nfs/dbraw/zinc/57/44/44/792574444.db2.gz GJFFMUVGDUCRRD-HNNXBMFYSA-N 0 3 342.395 2.198 20 10 EECDHN O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC001148590267 792574450 /nfs/dbraw/zinc/57/44/50/792574450.db2.gz GJFFMUVGDUCRRD-HNNXBMFYSA-N 0 3 342.395 2.198 20 10 EECDHN COC[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000112986916 533135254 /nfs/dbraw/zinc/13/52/54/533135254.db2.gz XRHNHVYSTVWMDT-KRWDZBQOSA-N 0 3 333.476 2.069 20 10 EECDHN COC1CCN(c2ccc(CN[C@@](C)(C(N)=O)C(C)C)cc2)CC1 ZINC000297729959 465268549 /nfs/dbraw/zinc/26/85/49/465268549.db2.gz SIYQQXOGGZBPIS-LJQANCHMSA-N 0 3 333.476 2.291 20 10 EECDHN CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054544628 463243237 /nfs/dbraw/zinc/24/32/37/463243237.db2.gz VAFBKTAIXCPXSH-CQSZACIVSA-N 0 3 348.468 2.307 20 10 EECDHN CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054544628 463243239 /nfs/dbraw/zinc/24/32/39/463243239.db2.gz VAFBKTAIXCPXSH-CQSZACIVSA-N 0 3 348.468 2.307 20 10 EECDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(F)ccc1[O-] ZINC000186082649 463934017 /nfs/dbraw/zinc/93/40/17/463934017.db2.gz AGCGGXKTSYFQHB-RISCZKNCSA-N 0 3 332.379 2.111 20 10 EECDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000186082035 463934113 /nfs/dbraw/zinc/93/41/13/463934113.db2.gz UFWFFXHQJPRPRU-DZGCQCFKSA-N 0 3 328.416 2.280 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000186082035 463934117 /nfs/dbraw/zinc/93/41/17/463934117.db2.gz UFWFFXHQJPRPRU-DZGCQCFKSA-N 0 3 328.416 2.280 20 10 EECDHN COc1c([O-])c(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490514 464120317 /nfs/dbraw/zinc/12/03/17/464120317.db2.gz ONMHBTICUBCLHW-OCCSQVGLSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490514 464120321 /nfs/dbraw/zinc/12/03/21/464120321.db2.gz ONMHBTICUBCLHW-OCCSQVGLSA-N 0 3 335.404 2.225 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000285008725 464424665 /nfs/dbraw/zinc/42/46/65/464424665.db2.gz ZKHNREKAOLBPTQ-ZXYWRSMDSA-N 0 3 342.443 2.447 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000273087485 464701963 /nfs/dbraw/zinc/70/19/63/464701963.db2.gz RVBMJQMKFBEWQM-UXHICEINSA-N 0 3 345.487 2.258 20 10 EECDHN COc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000275228488 464767735 /nfs/dbraw/zinc/76/77/35/464767735.db2.gz CYZOHWLLHRZEPQ-KSSFIOAISA-N 0 3 331.416 2.371 20 10 EECDHN CS(=O)(=O)CCOCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000266179527 464767938 /nfs/dbraw/zinc/76/79/38/464767938.db2.gz URPCRUKKFBZLKM-UHFFFAOYSA-N 0 3 349.452 2.210 20 10 EECDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccccc1[O-] ZINC000183326845 464851241 /nfs/dbraw/zinc/85/12/41/464851241.db2.gz XCCPUOUTSVRIKH-HUUCEWRRSA-N 0 3 328.416 2.280 20 10 EECDHN CC[C@@H](C)N1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000295630947 464909525 /nfs/dbraw/zinc/90/95/25/464909525.db2.gz BUYGMYXPTVRWJU-QGZVFWFLSA-N 0 3 346.519 2.127 20 10 EECDHN CNC(=O)CC1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184697600 465019742 /nfs/dbraw/zinc/01/97/42/465019742.db2.gz LOQLALWLZCQEQP-UHFFFAOYSA-N 0 3 326.824 2.402 20 10 EECDHN COC(=O)c1cn([C@H]2CCCN(Cc3cc(C)c(C)cc3O)C2)nn1 ZINC000375169977 466827728 /nfs/dbraw/zinc/82/77/28/466827728.db2.gz CKVPDEJPCIFTSV-HNNXBMFYSA-N 0 3 344.415 2.224 20 10 EECDHN COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)nn1 ZINC000375169977 466827733 /nfs/dbraw/zinc/82/77/33/466827733.db2.gz CKVPDEJPCIFTSV-HNNXBMFYSA-N 0 3 344.415 2.224 20 10 EECDHN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)nn1 ZINC000375169977 466827739 /nfs/dbraw/zinc/82/77/39/466827739.db2.gz CKVPDEJPCIFTSV-HNNXBMFYSA-N 0 3 344.415 2.224 20 10 EECDHN COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000771628163 577222316 /nfs/dbraw/zinc/22/23/16/577222316.db2.gz FSKNJGNSRXJTEK-CJNGLKHVSA-N 0 3 349.427 2.229 20 10 EECDHN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000771628163 577222317 /nfs/dbraw/zinc/22/23/17/577222317.db2.gz FSKNJGNSRXJTEK-CJNGLKHVSA-N 0 3 349.427 2.229 20 10 EECDHN O=[N+]([O-])c1cc(CN[C@]2(CCO)CCOC2)ccc1N1CCCCC1 ZINC000775028141 577426973 /nfs/dbraw/zinc/42/69/73/577426973.db2.gz CAINAJOWJNYJAT-GOSISDBHSA-N 0 3 349.431 2.216 20 10 EECDHN C[C@@H](NCC(=O)N1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775258877 577433818 /nfs/dbraw/zinc/43/38/18/577433818.db2.gz LMFJHYQNCDPNKB-IAGOWNOFSA-N 0 3 345.487 2.432 20 10 EECDHN C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000756482930 577844887 /nfs/dbraw/zinc/84/48/87/577844887.db2.gz LCPAZUKXOHSYTP-GFCCVEGCSA-N 0 3 338.404 2.160 20 10 EECDHN C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756484398 577844900 /nfs/dbraw/zinc/84/49/00/577844900.db2.gz WPSQXTOVJGAELW-CMPLNLGQSA-N 0 3 344.452 2.387 20 10 EECDHN C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000756550845 577846499 /nfs/dbraw/zinc/84/64/99/577846499.db2.gz SUNZXNTUCQHUIS-QWHCGFSZSA-N 0 3 339.867 2.284 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000757704117 577862767 /nfs/dbraw/zinc/86/27/67/577862767.db2.gz XBOKJZLTGSDHLP-KBXCAEBGSA-N 0 3 330.476 2.343 20 10 EECDHN O=[N+]([O-])c1cc(CNCCN2CCOCC2)ccc1N1CCCCC1 ZINC000743503625 577886444 /nfs/dbraw/zinc/88/64/44/577886444.db2.gz CVWWAUHADYGCLU-UHFFFAOYSA-N 0 3 348.447 2.007 20 10 EECDHN C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc([O-])cs3)nc2)C1 ZINC000746310123 577925702 /nfs/dbraw/zinc/92/57/02/577925702.db2.gz OFTUPLXXMUVBHW-LBPRGKRZSA-N 0 3 332.429 2.241 20 10 EECDHN CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)C[C@H]1O ZINC000770380727 578156806 /nfs/dbraw/zinc/15/68/06/578156806.db2.gz NPCMPFVUKQVAGW-JOYOIKCWSA-N 0 3 330.222 2.366 20 10 EECDHN CCN1CCN(c2ccc(C(=O)NCc3ccccc3O)cc2)CC1 ZINC000735857451 578170275 /nfs/dbraw/zinc/17/02/75/578170275.db2.gz RVTBZIMVQCXRGI-UHFFFAOYSA-N 0 3 339.439 2.464 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCCC[C@H]2O)N(C)C)cc1 ZINC000891247887 676241368 /nfs/dbraw/zinc/24/13/68/676241368.db2.gz IOQLEPIIBJVJAD-QXAKKESOSA-N 0 3 347.503 2.413 20 10 EECDHN CC[C@@H]1CC[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891251596 676248306 /nfs/dbraw/zinc/24/83/06/676248306.db2.gz HCIZFBJMEOUDJB-KZNAEPCWSA-N 0 3 333.476 2.429 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@](C)(O)C2CC2)N(C)C)cc1 ZINC000891253964 676250153 /nfs/dbraw/zinc/25/01/53/676250153.db2.gz VIKYXLRONSJCRF-PKOBYXMFSA-N 0 3 333.476 2.023 20 10 EECDHN COc1ccc(CN2CCC(N3CCCCC3=O)CC2)c(O)c1OC ZINC000892133182 676906712 /nfs/dbraw/zinc/90/67/12/676906712.db2.gz KDNDYBDTRMZKNH-UHFFFAOYSA-N 0 3 348.443 2.386 20 10 EECDHN CCNC(=O)c1cccc(CNCc2ccc(OC)c(OC)c2O)c1 ZINC000892641623 682047791 /nfs/dbraw/zinc/04/77/91/682047791.db2.gz DDDSZZKOZWXJTC-UHFFFAOYSA-N 0 3 344.411 2.449 20 10 EECDHN CS(=O)(=O)CCCCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163000918 682058103 /nfs/dbraw/zinc/05/81/03/682058103.db2.gz LUQXJKMRGSEELA-INIZCTEOSA-N 0 3 341.473 2.198 20 10 EECDHN CC[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899102981 693606976 /nfs/dbraw/zinc/60/69/76/693606976.db2.gz UAZKXRRBDXKBRS-ZWKOTPCHSA-N 0 3 348.491 2.176 20 10 EECDHN C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104961 693607756 /nfs/dbraw/zinc/60/77/56/693607756.db2.gz UCRDSJOIEXFYKP-FNHZYXHNSA-N 0 3 348.491 2.222 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C(C)C)CC1)cc2=O ZINC000072717892 1192952545 /nfs/dbraw/zinc/95/25/45/1192952545.db2.gz ORNFXZGMLLTZFN-UHFFFAOYSA-N 0 3 346.431 2.480 20 10 EECDHN CCOCCN1CC[C@@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272766268 1193487982 /nfs/dbraw/zinc/48/79/82/1193487982.db2.gz NGKMDCIPNMLBBP-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN CCOCCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272766268 1193487985 /nfs/dbraw/zinc/48/79/85/1193487985.db2.gz NGKMDCIPNMLBBP-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN Cc1cc(C(=O)CON=C(N)CCO)c(C)n1-c1cccc(C)c1 ZINC000842040895 1188239137 /nfs/dbraw/zinc/23/91/37/1188239137.db2.gz PJCJVTVGLNQZEL-UHFFFAOYSA-N 0 3 329.400 2.466 20 10 EECDHN CCOCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618250 1190933381 /nfs/dbraw/zinc/93/33/81/1190933381.db2.gz DNGCFUYURMOJQA-MRXNPFEDSA-N 0 3 332.444 2.147 20 10 EECDHN OC[C@H](CC(F)(F)F)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877123592 1199865585 /nfs/dbraw/zinc/86/55/85/1199865585.db2.gz MCLCNJVBUZJSAM-ZDUSSCGKSA-N 0 3 332.366 2.051 20 10 EECDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000877126910 1199866265 /nfs/dbraw/zinc/86/62/65/1199866265.db2.gz WCBNASHDRQAXAO-HZPDHXFCSA-N 0 3 346.393 2.439 20 10 EECDHN OC1CCN(c2ccc(CNCc3cnc4n3CCCC4)cc2)CC1 ZINC000877507217 1199952143 /nfs/dbraw/zinc/95/21/43/1199952143.db2.gz AYGYHGMRIIMCMU-UHFFFAOYSA-N 0 3 340.471 2.470 20 10 EECDHN O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1[O-])C2 ZINC001275266663 1205293830 /nfs/dbraw/zinc/29/38/30/1205293830.db2.gz CDRZYTCJRHIORP-AAEUAGOBSA-N 0 3 343.349 2.170 20 10 EECDHN O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1[O-])C2 ZINC001275266663 1205293831 /nfs/dbraw/zinc/29/38/31/1205293831.db2.gz CDRZYTCJRHIORP-AAEUAGOBSA-N 0 3 343.349 2.170 20 10 EECDHN Oc1cc(F)c(F)cc1CN1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001275774597 1205520508 /nfs/dbraw/zinc/52/05/08/1205520508.db2.gz RYHJFIVBPLWKQV-OKILXGFUSA-N 0 3 334.370 2.242 20 10 EECDHN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000779489660 1210395399 /nfs/dbraw/zinc/39/53/99/1210395399.db2.gz RGVBPXPNGJRMGB-QXLXQBSBSA-N 0 3 340.423 2.400 20 10 EECDHN COC[C@H](CO)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796362049 1213884559 /nfs/dbraw/zinc/88/45/59/1213884559.db2.gz JXKYOQUOLROYRE-IBGZPJMESA-N 0 3 326.440 2.346 20 10 EECDHN CN1CCN(c2ccc(CNCc3ncnn3C(C)(C)C)cc2)CC1 ZINC000800293274 1234018185 /nfs/dbraw/zinc/01/81/85/1234018185.db2.gz AFYIEDRPLAWFOQ-UHFFFAOYSA-N 0 3 342.491 2.075 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)N(C)C(C)(C)C2=O)N(C)C)cc1 ZINC000900185749 1234073942 /nfs/dbraw/zinc/07/39/42/1234073942.db2.gz RPVIYVGYTIRRHJ-OAHLLOKOSA-N 0 3 332.448 2.028 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851841447 1291877664 /nfs/dbraw/zinc/87/76/64/1291877664.db2.gz SDURZBWELXVMPK-OAHLLOKOSA-N 0 3 336.432 2.460 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851841447 1291877678 /nfs/dbraw/zinc/87/76/78/1291877678.db2.gz SDURZBWELXVMPK-OAHLLOKOSA-N 0 3 336.432 2.460 20 10 EECDHN C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000855733867 1293312642 /nfs/dbraw/zinc/31/26/42/1293312642.db2.gz BEAQLMRBEZXINS-INIZCTEOSA-N 0 3 340.423 2.487 20 10 EECDHN C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000855733867 1293312650 /nfs/dbraw/zinc/31/26/50/1293312650.db2.gz BEAQLMRBEZXINS-INIZCTEOSA-N 0 3 340.423 2.487 20 10 EECDHN CC(C)n1cc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC000926852824 1296940535 /nfs/dbraw/zinc/94/05/35/1296940535.db2.gz BIJSMBFOKCGTTK-MRXNPFEDSA-N 0 3 342.491 2.462 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@@H]1CCSC12CN(Cc1ccccc1O)C2 ZINC001277440783 1303027177 /nfs/dbraw/zinc/02/71/77/1303027177.db2.gz DZFTUCOTXMJVLE-AWEZNQCLSA-N 0 3 344.440 2.062 20 10 EECDHN Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2ccccc2[O-])C3)c1C ZINC001277442639 1303037731 /nfs/dbraw/zinc/03/77/31/1303037731.db2.gz YIIKAQLALNEYLL-RDTXWAMCSA-N 0 3 327.384 2.458 20 10 EECDHN Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2ccccc2[O-])C3)c1C ZINC001277442639 1303037737 /nfs/dbraw/zinc/03/77/37/1303037737.db2.gz YIIKAQLALNEYLL-RDTXWAMCSA-N 0 3 327.384 2.458 20 10 EECDHN COc1cc(CN2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)cc1O ZINC001231634601 1303872375 /nfs/dbraw/zinc/87/23/75/1303872375.db2.gz POYCLRVXAWKMDI-OTYXRUKQSA-N 0 3 335.322 2.242 20 10 EECDHN COC(=O)c1c(CN2CC[C@@](C)(C(=O)OC)C2)c2ccccc2n1C ZINC001232403638 1304109174 /nfs/dbraw/zinc/10/91/74/1304109174.db2.gz AEYCUXHSEGLHGH-LJQANCHMSA-N 0 3 344.411 2.350 20 10 EECDHN CN(C)c1ccc(CN2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001232839122 1304267061 /nfs/dbraw/zinc/26/70/61/1304267061.db2.gz MAYYCICCPIYSRC-UHFFFAOYSA-N 0 3 340.471 2.214 20 10 EECDHN C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccccc1[O-] ZINC000783505202 1304289464 /nfs/dbraw/zinc/28/94/64/1304289464.db2.gz GBBJJJBNHUUSDF-BLVKFPJESA-N 0 3 339.395 2.298 20 10 EECDHN COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C[C@H]1[NH3+] ZINC001236364547 1305570120 /nfs/dbraw/zinc/57/01/20/1305570120.db2.gz YLMMEOHPUJXSOM-BXUZGUMPSA-N 0 3 340.851 2.275 20 10 EECDHN COc1cc(C)c(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)c(O)c1 ZINC001236816404 1305687624 /nfs/dbraw/zinc/68/76/24/1305687624.db2.gz ULGBFXGWZGVPNH-OAHLLOKOSA-N 0 3 347.459 2.479 20 10 EECDHN CCOc1ccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001237039825 1305774751 /nfs/dbraw/zinc/77/47/51/1305774751.db2.gz CBDZOGHCLFVHPU-HDICACEKSA-N 0 3 332.444 2.086 20 10 EECDHN CNC(=O)C1CC[NH+](Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237677566 1306040054 /nfs/dbraw/zinc/04/00/54/1306040054.db2.gz OJEGQSXXFPXNEF-UHFFFAOYSA-N 0 3 341.249 2.421 20 10 EECDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c1[O-] ZINC001238059400 1306204574 /nfs/dbraw/zinc/20/45/74/1306204574.db2.gz CELPIELRQWHVDU-YOEHRIQHSA-N 0 3 341.386 2.330 20 10 EECDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c1[O-] ZINC001238059400 1306204581 /nfs/dbraw/zinc/20/45/81/1306204581.db2.gz CELPIELRQWHVDU-YOEHRIQHSA-N 0 3 341.386 2.330 20 10 EECDHN C[C@H](NC(=O)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2)c1ncc[nH]1 ZINC001278254804 1308919346 /nfs/dbraw/zinc/91/93/46/1308919346.db2.gz IPSVNTFDQUNNBP-NVWNAPEYSA-N 0 3 344.390 2.144 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)c2c1 ZINC001119332699 1309050316 /nfs/dbraw/zinc/05/03/16/1309050316.db2.gz XMLHMFRRDSCWHW-IYBDPMFKSA-N 0 3 340.423 2.464 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)c2c1 ZINC001119332699 1309050325 /nfs/dbraw/zinc/05/03/25/1309050325.db2.gz XMLHMFRRDSCWHW-IYBDPMFKSA-N 0 3 340.423 2.464 20 10 EECDHN Cc1ncccc1CNCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153048133 1316767229 /nfs/dbraw/zinc/76/72/29/1316767229.db2.gz ULCRQDIZTFMOMD-UHFFFAOYSA-N 0 3 340.387 2.072 20 10 EECDHN CNC(=O)N[C@H]1CCCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249259372 1317035839 /nfs/dbraw/zinc/03/58/39/1317035839.db2.gz VFJGUQSPQABBCQ-AWEZNQCLSA-N 0 3 345.443 2.470 20 10 EECDHN CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249259372 1317035853 /nfs/dbraw/zinc/03/58/53/1317035853.db2.gz VFJGUQSPQABBCQ-AWEZNQCLSA-N 0 3 345.443 2.470 20 10 EECDHN CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)C1 ZINC001249259372 1317035863 /nfs/dbraw/zinc/03/58/63/1317035863.db2.gz VFJGUQSPQABBCQ-AWEZNQCLSA-N 0 3 345.443 2.470 20 10 EECDHN C[C@](O)(C[N@@H+]1CCc2cccc([O-])c2C1)C(=O)OCc1ccccc1 ZINC001253635814 1317899765 /nfs/dbraw/zinc/89/97/65/1317899765.db2.gz BKWXLGZDLGGNOG-FQEVSTJZSA-N 0 3 341.407 2.245 20 10 EECDHN C[C@](O)(C[N@H+]1CCc2cccc([O-])c2C1)C(=O)OCc1ccccc1 ZINC001253635814 1317899773 /nfs/dbraw/zinc/89/97/73/1317899773.db2.gz BKWXLGZDLGGNOG-FQEVSTJZSA-N 0 3 341.407 2.245 20 10 EECDHN Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4ccccc4[O-])C3)C2=O)cn1 ZINC001203555469 1321911513 /nfs/dbraw/zinc/91/15/13/1321911513.db2.gz ALFWXVHDGBJUBJ-LJQANCHMSA-N 0 3 340.427 2.145 20 10 EECDHN Cn1cc(N2CC[C@@]3(CCC[N@@H+](Cc4ccccc4[O-])C3)C2=O)cn1 ZINC001203555469 1321911514 /nfs/dbraw/zinc/91/15/14/1321911514.db2.gz ALFWXVHDGBJUBJ-LJQANCHMSA-N 0 3 340.427 2.145 20 10 EECDHN CCC1=NC2(CC[NH+](Cc3ccc(OC)cc3[O-])CC2)C(=O)N1C ZINC001203635024 1321929259 /nfs/dbraw/zinc/92/92/59/1321929259.db2.gz GLJMOWUWXGATNG-UHFFFAOYSA-N 0 3 331.416 2.016 20 10 EECDHN [O-]c1cc(O)ccc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001204272734 1322098983 /nfs/dbraw/zinc/09/89/83/1322098983.db2.gz HVQFSROAOAPPOM-IAGOWNOFSA-N 0 3 325.412 2.057 20 10 EECDHN O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274349 1322099735 /nfs/dbraw/zinc/09/97/35/1322099735.db2.gz ONBFCCRPGCMJDG-MRXNPFEDSA-N 0 3 330.428 2.369 20 10 EECDHN COC(=O)c1ccc(N2CCN(Cc3ccc(O)cc3O)CC2)cc1 ZINC001204279947 1322103177 /nfs/dbraw/zinc/10/31/77/1322103177.db2.gz FXEFIFKDOAPLDD-UHFFFAOYSA-N 0 3 342.395 2.207 20 10 EECDHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCNC[C@H]2F)c1 ZINC001579589536 1344397499 /nfs/dbraw/zinc/39/74/99/1344397499.db2.gz KBEWYVUSKPJWBU-QZTJIDSGSA-N 0 3 343.402 2.336 20 10 EECDHN Nc1ccc(C[NH2+]C2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC001606450681 1351304614 /nfs/dbraw/zinc/30/46/14/1351304614.db2.gz BNWPIQCRLOGTNP-UHFFFAOYSA-N 0 3 349.442 2.208 20 10 EECDHN Nc1ccc(C[NH2+]C2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC001606450681 1351304616 /nfs/dbraw/zinc/30/46/16/1351304616.db2.gz BNWPIQCRLOGTNP-UHFFFAOYSA-N 0 3 349.442 2.208 20 10 EECDHN COc1nc(C(=O)NC/C=C/CNCc2ccc(OC)c(C)c2)co1 ZINC001754154225 1406851479 /nfs/dbraw/zinc/85/14/79/1406851479.db2.gz UKUQIKIFWSEKQK-SNAWJCMRSA-N 0 3 345.399 2.076 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccccc2OC)c1 ZINC000182425775 778943061 /nfs/dbraw/zinc/94/30/61/778943061.db2.gz ZNMVHKOBIXLQKP-CYBMUJFWSA-N 0 3 344.411 2.376 20 10 EECDHN COCCN(CC[NH+](C)C)Cc1cccc(Br)c1[O-] ZINC000809741211 783349685 /nfs/dbraw/zinc/34/96/85/783349685.db2.gz PVRFMOQIENHDLT-UHFFFAOYSA-N 0 3 331.254 2.165 20 10 EECDHN COCC[N@H+](CCN(C)C)Cc1cccc(Br)c1[O-] ZINC000809741211 783349694 /nfs/dbraw/zinc/34/96/94/783349694.db2.gz PVRFMOQIENHDLT-UHFFFAOYSA-N 0 3 331.254 2.165 20 10 EECDHN COCC[N@@H+](CCN(C)C)Cc1cccc(Br)c1[O-] ZINC000809741211 783349704 /nfs/dbraw/zinc/34/97/04/783349704.db2.gz PVRFMOQIENHDLT-UHFFFAOYSA-N 0 3 331.254 2.165 20 10 EECDHN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000385243551 788363737 /nfs/dbraw/zinc/36/37/37/788363737.db2.gz MDEZQUOCQKULIN-ZDUSSCGKSA-N 0 3 330.259 2.179 20 10 EECDHN [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)c2cccc(O)c2[O-])CC1 ZINC001148224382 792260447 /nfs/dbraw/zinc/26/04/47/792260447.db2.gz JFFKDVAGZPFCMD-SHTZXODSSA-N 0 3 341.411 2.405 20 10 EECDHN CCCNC(=O)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074587 798059009 /nfs/dbraw/zinc/05/90/09/798059009.db2.gz AWWXCQFMGLGPSY-UHFFFAOYSA-N 0 3 334.464 2.199 20 10 EECDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000808218473 812522149 /nfs/dbraw/zinc/52/21/49/812522149.db2.gz ILEZQLPMUWKEMW-SFHVURJKSA-N 0 3 341.455 2.281 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c1[O-] ZINC000808676074 812809668 /nfs/dbraw/zinc/80/96/68/812809668.db2.gz CDZLQYUJPVJIDI-NSHDSACASA-N 0 3 334.869 2.286 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000109770651 530003754 /nfs/dbraw/zinc/00/37/54/530003754.db2.gz KIWJEXBXBGUUII-OAHLLOKOSA-N 0 3 332.356 2.172 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000109770651 530003755 /nfs/dbraw/zinc/00/37/55/530003755.db2.gz KIWJEXBXBGUUII-OAHLLOKOSA-N 0 3 332.356 2.172 20 10 EECDHN CCN(CC)c1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1F ZINC000167741043 463664054 /nfs/dbraw/zinc/66/40/54/463664054.db2.gz LRGBNWKLASXBGO-HNNXBMFYSA-N 0 3 337.439 2.057 20 10 EECDHN CN(C)[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155682468 462928249 /nfs/dbraw/zinc/92/82/49/462928249.db2.gz QEPFZTXSYJMPPH-SFHVURJKSA-N 0 3 328.460 2.298 20 10 EECDHN CN(CCC1CC1)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000135269596 463134959 /nfs/dbraw/zinc/13/49/59/463134959.db2.gz JBNOQROCYJQLDI-UHFFFAOYSA-N 0 3 349.450 2.010 20 10 EECDHN CCOc1cccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1[O-] ZINC000278487370 463967697 /nfs/dbraw/zinc/96/76/97/463967697.db2.gz KRUXQMKKXORMFF-HNNXBMFYSA-N 0 3 330.432 2.283 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289923762 464101240 /nfs/dbraw/zinc/10/12/40/464101240.db2.gz VWQCYNTZKVYRKU-JSGCOSHPSA-N 0 3 335.404 2.368 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289923762 464101245 /nfs/dbraw/zinc/10/12/45/464101245.db2.gz VWQCYNTZKVYRKU-JSGCOSHPSA-N 0 3 335.404 2.368 20 10 EECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c([O-])c1 ZINC000285143394 464466068 /nfs/dbraw/zinc/46/60/68/464466068.db2.gz LXJPPFUYYDFTEO-UONOGXRCSA-N 0 3 326.462 2.084 20 10 EECDHN O=C1CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCN1 ZINC000295003320 464675682 /nfs/dbraw/zinc/67/56/82/464675682.db2.gz RYIYVBFBLFULRD-RDJZCZTQSA-N 0 3 332.444 2.290 20 10 EECDHN O=C1CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCN1 ZINC000295003320 464675684 /nfs/dbraw/zinc/67/56/84/464675684.db2.gz RYIYVBFBLFULRD-RDJZCZTQSA-N 0 3 332.444 2.290 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCSC2)c1[O-] ZINC000182557714 464682384 /nfs/dbraw/zinc/68/23/84/464682384.db2.gz AIYZBDVCKQLQJD-CYBMUJFWSA-N 0 3 332.263 2.421 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c([O-])c1 ZINC000273622691 464722833 /nfs/dbraw/zinc/72/28/33/464722833.db2.gz ZKLHRVIZJIBPJG-WBVHZDCISA-N 0 3 333.476 2.294 20 10 EECDHN Cc1ccc(O)c(CNCCS(=O)(=O)CCc2ccccc2)c1 ZINC000282779122 464945310 /nfs/dbraw/zinc/94/53/10/464945310.db2.gz VNDLZSLUNQHBHZ-UHFFFAOYSA-N 0 3 333.453 2.448 20 10 EECDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000184288250 464962522 /nfs/dbraw/zinc/96/25/22/464962522.db2.gz NNTXULMHEQKIIS-GPAUDHNESA-N 0 3 328.453 2.080 20 10 EECDHN CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000369293736 466724802 /nfs/dbraw/zinc/72/48/02/466724802.db2.gz NYDLGAWUUKAYKG-AWEZNQCLSA-N 0 3 334.441 2.059 20 10 EECDHN CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000369293736 466724805 /nfs/dbraw/zinc/72/48/05/466724805.db2.gz NYDLGAWUUKAYKG-AWEZNQCLSA-N 0 3 334.441 2.059 20 10 EECDHN CCOc1ccc(O)c(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000375691231 466863541 /nfs/dbraw/zinc/86/35/41/466863541.db2.gz JIPKYWFMKQBQBS-QGZVFWFLSA-N 0 3 331.416 2.460 20 10 EECDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000375691231 466863544 /nfs/dbraw/zinc/86/35/44/466863544.db2.gz JIPKYWFMKQBQBS-QGZVFWFLSA-N 0 3 331.416 2.460 20 10 EECDHN CCN(C)c1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000773733530 577361710 /nfs/dbraw/zinc/36/17/10/577361710.db2.gz XJLJBLZPKXXMKN-UHFFFAOYSA-N 0 3 345.487 2.214 20 10 EECDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)c1 ZINC000775373738 577436156 /nfs/dbraw/zinc/43/61/56/577436156.db2.gz VRBRUDOWSBTLBQ-GFCCVEGCSA-N 0 3 330.384 2.116 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OCC(N)=O)cc2)c1 ZINC000775373738 577436157 /nfs/dbraw/zinc/43/61/57/577436157.db2.gz VRBRUDOWSBTLBQ-GFCCVEGCSA-N 0 3 330.384 2.116 20 10 EECDHN C[C@@H](NCC(C)(C)C(N)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000775620375 577441128 /nfs/dbraw/zinc/44/11/28/577441128.db2.gz YBQXQWOHLGIKPU-GFCCVEGCSA-N 0 3 339.867 2.339 20 10 EECDHN C[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765410083 577500493 /nfs/dbraw/zinc/50/04/93/577500493.db2.gz QYORJLGGTQHGHN-CYBMUJFWSA-N 0 3 327.494 2.121 20 10 EECDHN COC(=O)C[C@@]1(NCc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000766459403 577519782 /nfs/dbraw/zinc/51/97/82/577519782.db2.gz VNOMBPUEUVAVCX-IBGZPJMESA-N 0 3 332.444 2.489 20 10 EECDHN CN1CCN(Cc2cc3c(cc2O)OC[C@H]3O)[C@@H](c2ccccc2)C1 ZINC000768439277 577555597 /nfs/dbraw/zinc/55/55/97/577555597.db2.gz JUOFXMOXWBYNOD-IEBWSBKVSA-N 0 3 340.423 2.307 20 10 EECDHN CC[C@@]1(C)CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000758748952 577630594 /nfs/dbraw/zinc/63/05/94/577630594.db2.gz RGJWTVIXZCMAPI-FQEVSTJZSA-N 0 3 345.487 2.466 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4[C@H](C3)OCCN4C)c2c1 ZINC000760416237 577662575 /nfs/dbraw/zinc/66/25/75/577662575.db2.gz AYRGUBNRNCRCMH-MJGOQNOKSA-N 0 3 328.412 2.069 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4[C@H](C3)OCCN4C)c2c1 ZINC000760416237 577662576 /nfs/dbraw/zinc/66/25/76/577662576.db2.gz AYRGUBNRNCRCMH-MJGOQNOKSA-N 0 3 328.412 2.069 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000756548868 577846362 /nfs/dbraw/zinc/84/63/62/577846362.db2.gz LPBLJTISTMXOMV-UMVBOHGHSA-N 0 3 349.450 2.257 20 10 EECDHN C[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000051150398 676627870 /nfs/dbraw/zinc/62/78/70/676627870.db2.gz OBOKLABKACJMBU-OAHLLOKOSA-N 0 3 349.450 2.010 20 10 EECDHN O=C(CNCc1ccc(N2CCOCC2)cc1)Nc1cccc(F)c1 ZINC000051188825 679514270 /nfs/dbraw/zinc/51/42/70/679514270.db2.gz KGIPNLIDUQYKOM-UHFFFAOYSA-N 0 3 343.402 2.391 20 10 EECDHN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000893134269 683835750 /nfs/dbraw/zinc/83/57/50/683835750.db2.gz GWHHUGZCBZVSEL-GOSISDBHSA-N 0 3 328.460 2.298 20 10 EECDHN Cc1nocc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000896086635 684829600 /nfs/dbraw/zinc/82/96/00/684829600.db2.gz FHOLULBBTXQFMA-QGZVFWFLSA-N 0 3 345.447 2.151 20 10 EECDHN C[C@@H]1NCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H]1C ZINC000841710551 1187439711 /nfs/dbraw/zinc/43/97/11/1187439711.db2.gz YRDSELAMBTVGAM-GJZGRUSLSA-N 0 3 348.516 2.132 20 10 EECDHN COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618282 1190933218 /nfs/dbraw/zinc/93/32/18/1190933218.db2.gz FAJQJFZGNLPJKD-INIZCTEOSA-N 0 3 332.444 2.147 20 10 EECDHN COC[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)[C@@H]1CCCO1 ZINC000873117724 1198503654 /nfs/dbraw/zinc/50/36/54/1198503654.db2.gz YPHUJEVDKUYQDE-MJGOQNOKSA-N 0 3 345.443 2.224 20 10 EECDHN COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649364 1201193533 /nfs/dbraw/zinc/19/35/33/1201193533.db2.gz RFWDKARNLQWFPI-CYBMUJFWSA-N 0 3 342.395 2.492 20 10 EECDHN CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121045167 1201513273 /nfs/dbraw/zinc/51/32/73/1201513273.db2.gz PCQGQFDUDWKSFA-MSOLQXFVSA-N 0 3 337.460 2.407 20 10 EECDHN CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121045167 1201513275 /nfs/dbraw/zinc/51/32/75/1201513275.db2.gz PCQGQFDUDWKSFA-MSOLQXFVSA-N 0 3 337.460 2.407 20 10 EECDHN COc1cc(C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)cc(OC)n1 ZINC001015105930 1224752688 /nfs/dbraw/zinc/75/26/88/1224752688.db2.gz ZQZMHYFUXGAEQB-MRXNPFEDSA-N 0 3 345.443 2.403 20 10 EECDHN CC(C)NC(=O)N1CC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001275953215 1205601699 /nfs/dbraw/zinc/60/16/99/1205601699.db2.gz ULZPZJUCIJOIRQ-UHFFFAOYSA-N 0 3 333.432 2.114 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC000779195740 1209302072 /nfs/dbraw/zinc/30/20/72/1209302072.db2.gz IKFXTUUHTLVGKV-GFCCVEGCSA-N 0 3 346.349 2.291 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c([O-])c1 ZINC000779195740 1209302076 /nfs/dbraw/zinc/30/20/76/1209302076.db2.gz IKFXTUUHTLVGKV-GFCCVEGCSA-N 0 3 346.349 2.291 20 10 EECDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)N(C)C ZINC000304002736 1213952267 /nfs/dbraw/zinc/95/22/67/1213952267.db2.gz RSPJTDQPASKRKA-IBGZPJMESA-N 0 3 347.503 2.098 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1)[C@@H](O)CO2 ZINC000795718795 1215014529 /nfs/dbraw/zinc/01/45/29/1215014529.db2.gz NJXMHLBFPMYDGB-DZGCQCFKSA-N 0 3 347.333 2.097 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1)[C@@H](O)CO2 ZINC000795718795 1215014531 /nfs/dbraw/zinc/01/45/31/1215014531.db2.gz NJXMHLBFPMYDGB-DZGCQCFKSA-N 0 3 347.333 2.097 20 10 EECDHN CCCC[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185842 1234073849 /nfs/dbraw/zinc/07/38/49/1234073849.db2.gz STTMGTRBFRPOSP-IRXDYDNUSA-N 0 3 346.475 2.466 20 10 EECDHN COCCN1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858108388 1294008503 /nfs/dbraw/zinc/00/85/03/1294008503.db2.gz FFBAJUMKKWBAQL-UHFFFAOYSA-N 0 3 343.265 2.355 20 10 EECDHN CC(=O)c1cc(F)cc(CN2CCC(N3CCOCC3)CC2)c1O ZINC000859354645 1294406772 /nfs/dbraw/zinc/40/67/72/1294406772.db2.gz FHNAXLOPJAVKJE-UHFFFAOYSA-N 0 3 336.407 2.031 20 10 EECDHN COc1cc(CN2CCC(Oc3ncncc3C)CC2)c(O)cc1O ZINC001231639139 1303875201 /nfs/dbraw/zinc/87/52/01/1303875201.db2.gz DENSRRQJHYCQGR-UHFFFAOYSA-N 0 3 345.399 2.248 20 10 EECDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)N3C[C@H](C)O[C@@H](C)C3)C2)c(O)c1 ZINC001277567377 1303919885 /nfs/dbraw/zinc/91/98/85/1303919885.db2.gz GGKMZRJFDVLVTL-YQQAZPJKSA-N 0 3 344.455 2.158 20 10 EECDHN CC(=O)NC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233728429 1304568875 /nfs/dbraw/zinc/56/88/75/1304568875.db2.gz XCVVWHKBTYUYOM-UHFFFAOYSA-N 0 3 332.322 2.391 20 10 EECDHN CC(C)(C)[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C[C@@H](O)CO ZINC001233736556 1304573694 /nfs/dbraw/zinc/57/36/94/1304573694.db2.gz MSTKZJPGEAIUIP-LLVKDONJSA-N 0 3 337.338 2.245 20 10 EECDHN CC(C)(C)[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C[C@@H](O)CO ZINC001233736556 1304573697 /nfs/dbraw/zinc/57/36/97/1304573697.db2.gz MSTKZJPGEAIUIP-LLVKDONJSA-N 0 3 337.338 2.245 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001237042888 1305777986 /nfs/dbraw/zinc/77/79/86/1305777986.db2.gz LVCJNDNJPKUPQH-LJQANCHMSA-N 0 3 340.427 2.436 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001237042888 1305777999 /nfs/dbraw/zinc/77/79/99/1305777999.db2.gz LVCJNDNJPKUPQH-LJQANCHMSA-N 0 3 340.427 2.436 20 10 EECDHN NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237051375 1305779680 /nfs/dbraw/zinc/77/96/80/1305779680.db2.gz LFJBJUJRCKBYQD-NSHDSACASA-N 0 3 332.322 2.031 20 10 EECDHN NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237051375 1305779686 /nfs/dbraw/zinc/77/96/86/1305779686.db2.gz LFJBJUJRCKBYQD-NSHDSACASA-N 0 3 332.322 2.031 20 10 EECDHN Cc1cccc(O)c1CN1CCO[C@@H]2C[C@@H](C(=O)NC(C)C)C[C@H]21 ZINC001237488144 1305956423 /nfs/dbraw/zinc/95/64/23/1305956423.db2.gz JORAYHDMIMOIFL-YXJHDRRASA-N 0 3 332.444 2.205 20 10 EECDHN COc1cc(CN2CC[C@@H](Oc3nccnc3C)C2)c(O)c(OC)c1 ZINC001237684088 1306047494 /nfs/dbraw/zinc/04/74/94/1306047494.db2.gz MKWHKJIDVWZMMD-CQSZACIVSA-N 0 3 345.399 2.161 20 10 EECDHN COc1cc(CN2CC[C@@]3(CCC[C@H]3C(=O)N(C)C)C2)cc(O)c1O ZINC001278235704 1308882631 /nfs/dbraw/zinc/88/26/31/1308882631.db2.gz NUGNQHOFHBZAFQ-LIRRHRJNSA-N 0 3 348.443 2.187 20 10 EECDHN COCC(=O)N[C@@H]1CCCN(Cc2c(C)n(C)c3ccccc32)C1 ZINC001138259900 1314583015 /nfs/dbraw/zinc/58/30/15/1314583015.db2.gz QKQYAWPQEVTBRH-OAHLLOKOSA-N 0 3 329.444 2.214 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)NCCNCc2ccsc2)cc1 ZINC001153037513 1316764726 /nfs/dbraw/zinc/76/47/26/1316764726.db2.gz OYGWVZKRVYUVKO-UHFFFAOYSA-N 0 3 331.401 2.430 20 10 EECDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CC1=O ZINC001254234472 1318021780 /nfs/dbraw/zinc/02/17/80/1318021780.db2.gz GGADVDOBJQLHAQ-GFCCVEGCSA-N 0 3 336.388 2.114 20 10 EECDHN [NH3+]C[C@H]1CCCCN1Cc1ccc(I)cc1[O-] ZINC001204933039 1322252389 /nfs/dbraw/zinc/25/23/89/1322252389.db2.gz QHMOVJQPJWINJC-GFCCVEGCSA-N 0 3 346.212 2.310 20 10 EECDHN CC(=O)c1cccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000848970321 1338814378 /nfs/dbraw/zinc/81/43/78/1338814378.db2.gz GZEVYDWTUQQIQY-SFHVURJKSA-N 0 3 325.412 2.385 20 10 EECDHN O=C(N[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C1)c1ccccn1 ZINC001137841745 1372282934 /nfs/dbraw/zinc/28/29/34/1372282934.db2.gz SKYIUBMGUJOJAY-CYBMUJFWSA-N 0 3 329.375 2.321 20 10 EECDHN O=C(N[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1)c1ccccn1 ZINC001137841745 1372282938 /nfs/dbraw/zinc/28/29/38/1372282938.db2.gz SKYIUBMGUJOJAY-CYBMUJFWSA-N 0 3 329.375 2.321 20 10 EECDHN CCN(CC)c1ccc(CN2CCN(c3cncnc3)CC2)c(O)c1 ZINC001140857634 1372698841 /nfs/dbraw/zinc/69/88/41/1372698841.db2.gz UVNJNYOSPGHZNG-UHFFFAOYSA-N 0 3 341.459 2.351 20 10 EECDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cn[nH]c1 ZINC000893858410 780245931 /nfs/dbraw/zinc/24/59/31/780245931.db2.gz YYLNZJBWYCRMIU-GUYCJALGSA-N 0 3 344.463 2.139 20 10 EECDHN COc1cccc([C@H](C)NCC(=O)NCCc2ccccc2)c1O ZINC000846165369 790067943 /nfs/dbraw/zinc/06/79/43/790067943.db2.gz ZGGPILKOTUKYRZ-AWEZNQCLSA-N 0 3 328.412 2.410 20 10 EECDHN CN1CC[C@@]2(CCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)C1 ZINC000291797988 529801643 /nfs/dbraw/zinc/80/16/43/529801643.db2.gz JGZQOJPZFARDTL-HXUWFJFHSA-N 0 3 342.487 2.306 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1[O-] ZINC000195007405 301070328 /nfs/dbraw/zinc/07/03/28/301070328.db2.gz MABDNZUTCQHZLT-PRHODGIISA-N 0 3 327.222 2.077 20 10 EECDHN CCOC1CC(C[NH2+][C@@H]2CCc3cccc([O-])c32)(N2CCOCC2)C1 ZINC000296438217 465194984 /nfs/dbraw/zinc/19/49/84/465194984.db2.gz MKZMFAZAQNWFIW-OHTSDLOESA-N 0 3 346.471 2.239 20 10 EECDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000186082052 463933670 /nfs/dbraw/zinc/93/36/70/463933670.db2.gz UFWFFXHQJPRPRU-HIFRSBDPSA-N 0 3 328.416 2.280 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000186082052 463933677 /nfs/dbraw/zinc/93/36/77/463933677.db2.gz UFWFFXHQJPRPRU-HIFRSBDPSA-N 0 3 328.416 2.280 20 10 EECDHN COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1cc(OC)ccc1O ZINC000186356231 463982384 /nfs/dbraw/zinc/98/23/84/463982384.db2.gz FUFGELLRUWXOIO-CJNGLKHVSA-N 0 3 338.448 2.229 20 10 EECDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000186356231 463982389 /nfs/dbraw/zinc/98/23/89/463982389.db2.gz FUFGELLRUWXOIO-CJNGLKHVSA-N 0 3 338.448 2.229 20 10 EECDHN CC[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834066 463987852 /nfs/dbraw/zinc/98/78/52/463987852.db2.gz TUAASPILRLAELF-FZMZJTMJSA-N 0 3 327.375 2.110 20 10 EECDHN COc1c([O-])c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950208 464012460 /nfs/dbraw/zinc/01/24/60/464012460.db2.gz ZGLPGCXNFXVUFZ-TZMCWYRMSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950208 464012467 /nfs/dbraw/zinc/01/24/67/464012467.db2.gz ZGLPGCXNFXVUFZ-TZMCWYRMSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000278950208 464012469 /nfs/dbraw/zinc/01/24/69/464012469.db2.gz ZGLPGCXNFXVUFZ-TZMCWYRMSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000278950208 464012476 /nfs/dbraw/zinc/01/24/76/464012476.db2.gz ZGLPGCXNFXVUFZ-TZMCWYRMSA-N 0 3 335.404 2.225 20 10 EECDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(OC)ccc2O)C1 ZINC000289661833 464089603 /nfs/dbraw/zinc/08/96/03/464089603.db2.gz NETIIBZBZUKYGP-AWEZNQCLSA-N 0 3 333.306 2.328 20 10 EECDHN COc1c([O-])c(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490520 464120660 /nfs/dbraw/zinc/12/06/60/464120660.db2.gz ONMHBTICUBCLHW-TZMCWYRMSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490520 464120664 /nfs/dbraw/zinc/12/06/64/464120664.db2.gz ONMHBTICUBCLHW-TZMCWYRMSA-N 0 3 335.404 2.225 20 10 EECDHN CN(Cc1cc2c(cc1O)OCO2)C[C@@H](O)COCc1ccccc1 ZINC000271147990 464282841 /nfs/dbraw/zinc/28/28/41/464282841.db2.gz SEUYSBZXMADXND-MRXNPFEDSA-N 0 3 345.395 2.130 20 10 EECDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H](O)COCc1ccccc1 ZINC000271147990 464282847 /nfs/dbraw/zinc/28/28/47/464282847.db2.gz SEUYSBZXMADXND-MRXNPFEDSA-N 0 3 345.395 2.130 20 10 EECDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H](O)COCc1ccccc1 ZINC000271147990 464282850 /nfs/dbraw/zinc/28/28/50/464282850.db2.gz SEUYSBZXMADXND-MRXNPFEDSA-N 0 3 345.395 2.130 20 10 EECDHN COC(=O)CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])CC(C)C ZINC000271714533 464369717 /nfs/dbraw/zinc/36/97/17/464369717.db2.gz HZWDUDHVGOKQNT-UHFFFAOYSA-N 0 3 325.405 2.431 20 10 EECDHN COC(=O)CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])CC(C)C ZINC000271714533 464369722 /nfs/dbraw/zinc/36/97/22/464369722.db2.gz HZWDUDHVGOKQNT-UHFFFAOYSA-N 0 3 325.405 2.431 20 10 EECDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000281265827 464393229 /nfs/dbraw/zinc/39/32/29/464393229.db2.gz NNCKOVFFODICKT-GOSISDBHSA-N 0 3 337.416 2.193 20 10 EECDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000281265827 464393234 /nfs/dbraw/zinc/39/32/34/464393234.db2.gz NNCKOVFFODICKT-GOSISDBHSA-N 0 3 337.416 2.193 20 10 EECDHN CCCN(Cc1ccccc1O)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000174375113 464401789 /nfs/dbraw/zinc/40/17/89/464401789.db2.gz NJLMKOOTJRNAKH-INIZCTEOSA-N 0 3 328.416 2.143 20 10 EECDHN CC(C)(CO)[C@@H](NCc1cc2c(cc1O)OCO2)c1cccnc1 ZINC000293525987 464408691 /nfs/dbraw/zinc/40/86/91/464408691.db2.gz BJGZABGDRMPDSE-KRWDZBQOSA-N 0 3 330.384 2.365 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310808 464620494 /nfs/dbraw/zinc/62/04/94/464620494.db2.gz ZMBCOZKDQGXVBH-FQEVSTJZSA-N 0 3 326.440 2.461 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310808 464620497 /nfs/dbraw/zinc/62/04/97/464620497.db2.gz ZMBCOZKDQGXVBH-FQEVSTJZSA-N 0 3 326.440 2.461 20 10 EECDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000295080887 464699323 /nfs/dbraw/zinc/69/93/23/464699323.db2.gz QIGILFMRXOIQAJ-CQSZACIVSA-N 0 3 345.484 2.089 20 10 EECDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000275181697 464766164 /nfs/dbraw/zinc/76/61/64/464766164.db2.gz DKZLBGNCOPPDFV-ZWKOTPCHSA-N 0 3 333.476 2.258 20 10 EECDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000286022315 464777522 /nfs/dbraw/zinc/77/75/22/464777522.db2.gz JVBSXFPHXIBVCA-INIZCTEOSA-N 0 3 344.411 2.448 20 10 EECDHN CCOC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000286126832 464813155 /nfs/dbraw/zinc/81/31/55/464813155.db2.gz MKVZBENSNKSHMZ-SFHVURJKSA-N 0 3 335.492 2.362 20 10 EECDHN C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1O ZINC000183404727 464861218 /nfs/dbraw/zinc/86/12/18/464861218.db2.gz BCNMYZBFSDQPJP-CYBMUJFWSA-N 0 3 334.441 2.493 20 10 EECDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000268090902 464949511 /nfs/dbraw/zinc/94/95/11/464949511.db2.gz AGFAESWFXFNUIB-KDOFPFPSSA-N 0 3 342.487 2.351 20 10 EECDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000299282790 465681111 /nfs/dbraw/zinc/68/11/11/465681111.db2.gz OWWCGXBKQFDPIX-HZPDHXFCSA-N 0 3 334.460 2.372 20 10 EECDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000299282790 465681114 /nfs/dbraw/zinc/68/11/14/465681114.db2.gz OWWCGXBKQFDPIX-HZPDHXFCSA-N 0 3 334.460 2.372 20 10 EECDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)C1CCOCC1 ZINC000374906260 466759999 /nfs/dbraw/zinc/75/99/99/466759999.db2.gz BJYKMMYZBMFUPS-UHFFFAOYSA-N 0 3 336.407 2.039 20 10 EECDHN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000377687941 467116740 /nfs/dbraw/zinc/11/67/40/467116740.db2.gz AZUYCGMVBHNFOJ-HZPDHXFCSA-N 0 3 334.416 2.262 20 10 EECDHN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000377687941 467116744 /nfs/dbraw/zinc/11/67/44/467116744.db2.gz AZUYCGMVBHNFOJ-HZPDHXFCSA-N 0 3 334.416 2.262 20 10 EECDHN CCOC[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000113936285 528924250 /nfs/dbraw/zinc/92/42/50/528924250.db2.gz FIPIZACHVRMZQK-GOSISDBHSA-N 0 3 347.503 2.460 20 10 EECDHN COC1CCN(C(C)(C)C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000730817503 577059569 /nfs/dbraw/zinc/05/95/69/577059569.db2.gz OZWUAUDRCDPBOA-UHFFFAOYSA-N 0 3 336.432 2.100 20 10 EECDHN CC[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000775503760 577438646 /nfs/dbraw/zinc/43/86/46/577438646.db2.gz NPAITWSBUSFVEG-KRWDZBQOSA-N 0 3 333.476 2.376 20 10 EECDHN C[C@H](NCC(=O)NCc1ccco1)c1ccc(N2CCOCC2)cc1 ZINC000764810216 577488813 /nfs/dbraw/zinc/48/88/13/577488813.db2.gz NMCMKZQIHNFVJL-HNNXBMFYSA-N 0 3 343.427 2.083 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@H](CCCN3C3CC3)C1)[C@@H](O)CO2 ZINC000768462934 577556364 /nfs/dbraw/zinc/55/63/64/577556364.db2.gz OXCJZSXEOMLWJD-XVSDVWIESA-N 0 3 344.455 2.267 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3[C@H](CCCN3C3CC3)C1)[C@@H](O)CO2 ZINC000768462934 577556365 /nfs/dbraw/zinc/55/63/65/577556365.db2.gz OXCJZSXEOMLWJD-XVSDVWIESA-N 0 3 344.455 2.267 20 10 EECDHN [O-]c1cc2c(cc1CN1CC[C@H](C[NH+]3CCCCC3)C1)[C@@H](O)CO2 ZINC000768466127 577556499 /nfs/dbraw/zinc/55/64/99/577556499.db2.gz MPLOORZIJUGFMG-KDOFPFPSSA-N 0 3 332.444 2.126 20 10 EECDHN C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)N(C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756565509 577846935 /nfs/dbraw/zinc/84/69/35/577846935.db2.gz XECBVXNFAGZKTM-WFASDCNBSA-N 0 3 349.450 2.222 20 10 EECDHN C[S@@](=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735084302 578132910 /nfs/dbraw/zinc/13/29/10/578132910.db2.gz FSNGIKCBCBNQOV-JOCHJYFZSA-N 0 3 325.434 2.053 20 10 EECDHN C[S@@](=O)CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735085315 578133102 /nfs/dbraw/zinc/13/31/02/578133102.db2.gz RAVQAQBIAWFXDP-HSZRJFAPSA-N 0 3 339.461 2.443 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC(C)CC3)CC2)cc1 ZINC000010343923 675113041 /nfs/dbraw/zinc/11/30/41/675113041.db2.gz KYRBBSSRXPCYOF-UHFFFAOYSA-N 0 3 331.460 2.076 20 10 EECDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc(=O)[nH]1 ZINC000891250211 676246257 /nfs/dbraw/zinc/24/62/57/676246257.db2.gz ZVJZWDVSUGWRBZ-QGZVFWFLSA-N 0 3 342.443 2.194 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC23CCOCC3)N(C)C)cc1 ZINC000891253056 676249090 /nfs/dbraw/zinc/24/90/90/676249090.db2.gz PTGWFHIFTQPBAX-ROUUACIJSA-N 0 3 345.487 2.288 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccncc2)N(C)C)cc1 ZINC000891426209 676580923 /nfs/dbraw/zinc/58/09/23/676580923.db2.gz HAYPDFQAKFDUSB-SFHVURJKSA-N 0 3 341.459 2.250 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NOCC2CCC2)N(C)C)cc1 ZINC000895896296 684770923 /nfs/dbraw/zinc/77/09/23/684770923.db2.gz BPFFPDLFCPSMOH-QGZVFWFLSA-N 0 3 334.464 2.386 20 10 EECDHN C[C@H]1COCCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103910 693607559 /nfs/dbraw/zinc/60/75/59/693607559.db2.gz PCCCIKJXROGMLQ-YJBOKZPZSA-N 0 3 348.491 2.176 20 10 EECDHN COCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765373 1193486755 /nfs/dbraw/zinc/48/67/55/1193486755.db2.gz HMKCWLOMRKOOGV-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN COCCCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765373 1193486757 /nfs/dbraw/zinc/48/67/57/1193486757.db2.gz HMKCWLOMRKOOGV-LJQANCHMSA-N 0 3 332.444 2.162 20 10 EECDHN CC[C@@H](C)N1C[C@@]2(CCN(Cc3cccc(OC)c3O)C2)OCC1=O ZINC001272623298 1190936216 /nfs/dbraw/zinc/93/62/16/1190936216.db2.gz ZCMXPQJABXUSED-KUHUBIRLSA-N 0 3 348.443 2.003 20 10 EECDHN C[C@H](NC(=O)C1(N(C)C)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000119696743 1197912143 /nfs/dbraw/zinc/91/21/43/1197912143.db2.gz CZTHQPJTPUUHFP-HNNXBMFYSA-N 0 3 331.460 2.185 20 10 EECDHN Cc1ccc(C[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000877048719 1199853645 /nfs/dbraw/zinc/85/36/45/1199853645.db2.gz PWQCEYYGEAWNGN-KRWDZBQOSA-N 0 3 340.471 2.396 20 10 EECDHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000879648310 1201193509 /nfs/dbraw/zinc/19/35/09/1201193509.db2.gz JJUYGUKNPUHPGK-QLFBSQMISA-N 0 3 348.443 2.233 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2c(C)cccc2O)C1=O ZINC001274301557 1204990249 /nfs/dbraw/zinc/99/02/49/1204990249.db2.gz QVALTEDAANSDOR-KUHUBIRLSA-N 0 3 330.428 2.245 20 10 EECDHN CCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c([O-])c1 ZINC000796515279 1220457837 /nfs/dbraw/zinc/45/78/37/1220457837.db2.gz RRHMJJYEXFYBCE-UHFFFAOYSA-N 0 3 327.446 2.238 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)NC3(CCCC3)C2=O)N(C)C)cc1 ZINC000900186344 1234074250 /nfs/dbraw/zinc/07/42/50/1234074250.db2.gz YHYDMPYPIUIJPO-INIZCTEOSA-N 0 3 344.459 2.220 20 10 EECDHN C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000800866256 1234700355 /nfs/dbraw/zinc/70/03/55/1234700355.db2.gz WHJDWZUYRWWMIM-QGZVFWFLSA-N 0 3 344.367 2.401 20 10 EECDHN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000800866256 1234700358 /nfs/dbraw/zinc/70/03/58/1234700358.db2.gz WHJDWZUYRWWMIM-QGZVFWFLSA-N 0 3 344.367 2.401 20 10 EECDHN C[C@@H]1CN(C(=O)C23CC([NH2+]Cc4ccccc4[O-])(C2)C3)C[C@H](C)O1 ZINC001277441841 1303031328 /nfs/dbraw/zinc/03/13/28/1303031328.db2.gz QGDGJWSTYNSVBJ-BAUKFBFWSA-N 0 3 330.428 2.040 20 10 EECDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233755843 1304578798 /nfs/dbraw/zinc/57/87/98/1304578798.db2.gz ZFBXXELLSMRMMR-VXGBXAGGSA-N 0 3 344.333 2.486 20 10 EECDHN CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233755843 1304578805 /nfs/dbraw/zinc/57/88/05/1304578805.db2.gz ZFBXXELLSMRMMR-VXGBXAGGSA-N 0 3 344.333 2.486 20 10 EECDHN CCc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)c(O)c1 ZINC001236785492 1305673021 /nfs/dbraw/zinc/67/30/21/1305673021.db2.gz KINCYRXJHWCFLW-DLBZAZTESA-N 0 3 340.427 2.068 20 10 EECDHN Cc1ccc(O)c(CN2CCC[C@@H](NC(=O)c3ccncc3)C2)c1 ZINC001140624045 1314916863 /nfs/dbraw/zinc/91/68/63/1314916863.db2.gz DMRDTIHKAXZGQR-QGZVFWFLSA-N 0 3 325.412 2.490 20 10 EECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@](C)(O)c1ccccc1 ZINC000842626243 1315737047 /nfs/dbraw/zinc/73/70/47/1315737047.db2.gz NOYYWEMYUDEYQD-MJGOQNOKSA-N 0 3 329.396 2.158 20 10 EECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@](C)(O)c1ccccc1 ZINC000842626243 1315737050 /nfs/dbraw/zinc/73/70/50/1315737050.db2.gz NOYYWEMYUDEYQD-MJGOQNOKSA-N 0 3 329.396 2.158 20 10 EECDHN CC(C)(C)N1CC[C@H](NCc2ccc(N3CCOCC3)cc2)C1=O ZINC000842721558 1315761932 /nfs/dbraw/zinc/76/19/32/1315761932.db2.gz TWIHYBRBVGJQTG-KRWDZBQOSA-N 0 3 331.460 2.012 20 10 EECDHN CC(=O)c1ccccc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000843299038 1315884304 /nfs/dbraw/zinc/88/43/04/1315884304.db2.gz QNAXZRRBVLAGRC-SFHVURJKSA-N 0 3 325.412 2.385 20 10 EECDHN COC(=O)Cc1ccc(CN2CCc3c(O)cccc3C2)c(O)c1 ZINC001249171721 1317017912 /nfs/dbraw/zinc/01/79/12/1317017912.db2.gz DZNJYFIORLCQOO-UHFFFAOYSA-N 0 3 327.380 2.372 20 10 EECDHN COC(=O)Cc1ccc(CN2CCC[C@H]2c2cnccn2)c(O)c1 ZINC001249201277 1317021168 /nfs/dbraw/zinc/02/11/68/1317021168.db2.gz MOQXHEJZMZOPHR-INIZCTEOSA-N 0 3 327.384 2.235 20 10 EECDHN COC(=O)Cc1ccc(CN2CCC[C@@H]2c2cnccn2)c(O)c1 ZINC001249201278 1317021529 /nfs/dbraw/zinc/02/15/29/1317021529.db2.gz MOQXHEJZMZOPHR-MRXNPFEDSA-N 0 3 327.384 2.235 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001249726156 1317159540 /nfs/dbraw/zinc/15/95/40/1317159540.db2.gz XJRCYWHDZUPCIO-UKRRQHHQSA-N 0 3 337.416 2.069 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001249726156 1317159546 /nfs/dbraw/zinc/15/95/46/1317159546.db2.gz XJRCYWHDZUPCIO-UKRRQHHQSA-N 0 3 337.416 2.069 20 10 EECDHN O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21)NC1CCC1 ZINC001203552713 1321911112 /nfs/dbraw/zinc/91/11/12/1321911112.db2.gz RDVBLANHILUGJW-NUJGCVRESA-N 0 3 344.455 2.145 20 10 EECDHN O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21)NC1CCC1 ZINC001203552713 1321911115 /nfs/dbraw/zinc/91/11/15/1321911115.db2.gz RDVBLANHILUGJW-NUJGCVRESA-N 0 3 344.455 2.145 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001203623227 1321925199 /nfs/dbraw/zinc/92/51/99/1321925199.db2.gz MZTBFDWJFAWUEE-GOSISDBHSA-N 0 3 326.400 2.046 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001203623227 1321925201 /nfs/dbraw/zinc/92/52/01/1321925201.db2.gz MZTBFDWJFAWUEE-GOSISDBHSA-N 0 3 326.400 2.046 20 10 EECDHN COc1ccc(O)c(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001203680844 1321939739 /nfs/dbraw/zinc/93/97/39/1321939739.db2.gz HCDCHEFEUKORIV-HIFRSBDPSA-N 0 3 334.416 2.452 20 10 EECDHN CN(C)c1ccc(CN2CCN(CCCO)CC2)c2ccccc21 ZINC001204235112 1322086678 /nfs/dbraw/zinc/08/66/78/1322086678.db2.gz GFUWYSIZHPURRP-UHFFFAOYSA-N 0 3 327.472 2.406 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001204274599 1322099849 /nfs/dbraw/zinc/09/98/49/1322099849.db2.gz QFOVIMVBFYRQEQ-MJGOQNOKSA-N 0 3 342.395 2.305 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001204274599 1322099856 /nfs/dbraw/zinc/09/98/56/1322099856.db2.gz QFOVIMVBFYRQEQ-MJGOQNOKSA-N 0 3 342.395 2.305 20 10 EECDHN [NH3+][C@@H]1CCCN(Cc2ccc(I)cc2[O-])CC1 ZINC001205117727 1322289200 /nfs/dbraw/zinc/28/92/00/1322289200.db2.gz TUSBEQIBGARIFA-GFCCVEGCSA-N 0 3 346.212 2.310 20 10 EECDHN CC(=O)c1cccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000848970320 1338814651 /nfs/dbraw/zinc/81/46/51/1338814651.db2.gz GZEVYDWTUQQIQY-GOSISDBHSA-N 0 3 325.412 2.385 20 10 EECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(s1)CNCC2 ZINC001576051725 1343955603 /nfs/dbraw/zinc/95/56/03/1343955603.db2.gz CSMZGAAQWNSMTJ-JTQLQIEISA-N 0 3 332.425 2.166 20 10 EECDHN C[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1CCO ZINC000852457720 1369274311 /nfs/dbraw/zinc/27/43/11/1369274311.db2.gz ZARDBYPMCQOYIT-VQIMIIECSA-N 0 3 347.503 2.194 20 10 EECDHN Cc1ccc(O)c(CN2Cc3ccnn3C[C@@H](C(=O)NC(C)C)C2)c1 ZINC001140621145 1372621003 /nfs/dbraw/zinc/62/10/03/1372621003.db2.gz HYYOEWIYTOJYKX-INIZCTEOSA-N 0 3 342.443 2.054 20 10 EECDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)c([O-])c1 ZINC001140951972 1372725937 /nfs/dbraw/zinc/72/59/37/1372725937.db2.gz AGWOGKFEISVJJQ-LJQANCHMSA-N 0 3 340.427 2.063 20 10 EECDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)c([O-])c1 ZINC001140951972 1372725940 /nfs/dbraw/zinc/72/59/40/1372725940.db2.gz AGWOGKFEISVJJQ-LJQANCHMSA-N 0 3 340.427 2.063 20 10 EECDHN CC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000809700842 783291804 /nfs/dbraw/zinc/29/18/04/783291804.db2.gz PFHHYIKSGMZOKX-WVCKHHOPSA-N 0 3 349.544 2.170 20 10 EECDHN CN(C)c1ccc(CN2CC[C@H](CC(N)=O)C2)c(C(F)(F)F)c1 ZINC000809785204 783386640 /nfs/dbraw/zinc/38/66/40/783386640.db2.gz QABHBMBJCRWXTK-LLVKDONJSA-N 0 3 329.366 2.469 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](CCO)CC2)cc1 ZINC000817298139 784664491 /nfs/dbraw/zinc/66/44/91/784664491.db2.gz GUGYPYDOLJTSET-KRWDZBQOSA-N 0 3 347.503 2.196 20 10 EECDHN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnccc1N ZINC000817935327 785079560 /nfs/dbraw/zinc/07/95/60/785079560.db2.gz MZABEBPSTFSKTJ-GFCCVEGCSA-N 0 3 348.397 2.460 20 10 EECDHN O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]2C1)C(F)(F)F ZINC000824828270 788330416 /nfs/dbraw/zinc/33/04/16/788330416.db2.gz MVSICBCMVGGBEM-JQWIXIFHSA-N 0 3 346.324 2.374 20 10 EECDHN O=C(N1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C[C@H]2C1)C(F)(F)F ZINC000824828270 788330423 /nfs/dbraw/zinc/33/04/23/788330423.db2.gz MVSICBCMVGGBEM-JQWIXIFHSA-N 0 3 346.324 2.374 20 10 EECDHN COc1ccc(N2CCCN(C(=O)[C@H]3CCCN3C3CC3)CC2)cc1 ZINC000787107716 807011101 /nfs/dbraw/zinc/01/11/01/807011101.db2.gz AJJIXLLZYPVVHY-LJQANCHMSA-N 0 3 343.471 2.361 20 10 EECDHN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808676068 812809023 /nfs/dbraw/zinc/80/90/23/812809023.db2.gz BYBSQDVZBDTTQH-ZDUSSCGKSA-N 0 3 339.867 2.169 20 10 EECDHN Cc1nn(C)c(Cl)c1/C=C\C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000493835386 302781629 /nfs/dbraw/zinc/78/16/29/302781629.db2.gz JBSGAYOVMDQCFX-MEJMFZKBSA-N 0 3 330.819 2.312 20 10 EECDHN CN1[C@@H]2CC[C@H]1CN(C(=O)NCc1ccc3c(c1)CCCN3C)CC2 ZINC000073917454 463670012 /nfs/dbraw/zinc/67/00/12/463670012.db2.gz MTFFKNLDCPSTNQ-MSOLQXFVSA-N 0 3 342.487 2.447 20 10 EECDHN COc1ccc(N2CCCN(C(=O)NCc3cn[nH]c3C)CC2)cc1 ZINC000193724914 463732643 /nfs/dbraw/zinc/73/26/43/463732643.db2.gz OKCIOQQWMCQLRJ-UHFFFAOYSA-N 0 3 343.431 2.149 20 10 EECDHN CC[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000269039805 463854105 /nfs/dbraw/zinc/85/41/05/463854105.db2.gz TUPXYZNELXWGKH-NVXWUHKLSA-N 0 3 339.505 2.217 20 10 EECDHN CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(C)cc1[O-] ZINC000280124069 464190038 /nfs/dbraw/zinc/19/00/38/464190038.db2.gz ONELOCMBIKRUHN-HIFRSBDPSA-N 0 3 330.432 2.494 20 10 EECDHN CCCN(Cc1ccccc1O)C(=O)CCN1CCN(CC)CC1 ZINC000263861212 464219320 /nfs/dbraw/zinc/21/93/20/464219320.db2.gz ASAZEHANRTUVLV-UHFFFAOYSA-N 0 3 333.476 2.158 20 10 EECDHN CCCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000180232981 464271063 /nfs/dbraw/zinc/27/10/63/464271063.db2.gz OFYGNCMOUBROCJ-MAUKXSAKSA-N 0 3 334.460 2.334 20 10 EECDHN CCCOc1ccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000180232981 464271068 /nfs/dbraw/zinc/27/10/68/464271068.db2.gz OFYGNCMOUBROCJ-MAUKXSAKSA-N 0 3 334.460 2.334 20 10 EECDHN CCOc1cccc(CN(CCO)CCOCC(F)(F)F)c1O ZINC000271213406 464289777 /nfs/dbraw/zinc/28/97/77/464289777.db2.gz ZCKYXHMTFANBTR-UHFFFAOYSA-N 0 3 337.338 2.164 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1[C@H](C)CC[C@H]1CC)cc2=O ZINC000271558704 464332804 /nfs/dbraw/zinc/33/28/04/464332804.db2.gz PHZURIMEZFAZSK-DGCLKSJQSA-N 0 3 332.404 2.375 20 10 EECDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271833254 464392850 /nfs/dbraw/zinc/39/28/50/464392850.db2.gz JPDNGNWYZVXZAC-CYBMUJFWSA-N 0 3 333.457 2.251 20 10 EECDHN COc1ccc([O-])c(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000271957982 464427001 /nfs/dbraw/zinc/42/70/01/464427001.db2.gz FEGCWKUBCRUMPA-UHFFFAOYSA-N 0 3 341.411 2.190 20 10 EECDHN C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000273561308 464720416 /nfs/dbraw/zinc/72/04/16/464720416.db2.gz ICJMJSABPRZCFT-BBRMVZONSA-N 0 3 337.439 2.125 20 10 EECDHN CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183672003 464896043 /nfs/dbraw/zinc/89/60/43/464896043.db2.gz ZWJFYVLDOFOXTP-AWEZNQCLSA-N 0 3 340.489 2.493 20 10 EECDHN COCCCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183697731 464899548 /nfs/dbraw/zinc/89/95/48/464899548.db2.gz WAAABQTXFCEJBH-UHFFFAOYSA-N 0 3 338.448 2.261 20 10 EECDHN Cc1noc(C2(C)CCN(Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000364704410 466713130 /nfs/dbraw/zinc/71/31/30/466713130.db2.gz SWCJIVCZLAIFQL-UHFFFAOYSA-N 0 3 331.372 2.366 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3nnc4n3CCC4)C1)OCO2 ZINC000093134433 534447638 /nfs/dbraw/zinc/44/76/38/534447638.db2.gz KAIOORCXDHRNRY-LBPRGKRZSA-N 0 3 342.399 2.038 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3nnc4n3CCC4)C1)OCO2 ZINC000093134433 534447644 /nfs/dbraw/zinc/44/76/44/534447644.db2.gz KAIOORCXDHRNRY-LBPRGKRZSA-N 0 3 342.399 2.038 20 10 EECDHN CCOC1CC(C[NH2+][C@H](C)c2ccccc2[O-])(N2CCOCC2)C1 ZINC000193405868 528501459 /nfs/dbraw/zinc/50/14/59/528501459.db2.gz DZRVXVVPOCMYJD-MDCZIUGASA-N 0 3 334.460 2.313 20 10 EECDHN CCNC(=O)NC(=O)[C@@H](C)[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000772772054 577296616 /nfs/dbraw/zinc/29/66/16/577296616.db2.gz RWDQNMSXSFYZHV-CYBMUJFWSA-N 0 3 333.432 2.371 20 10 EECDHN CCNC(=O)NC(=O)[C@@H](C)[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000772772054 577296618 /nfs/dbraw/zinc/29/66/18/577296618.db2.gz RWDQNMSXSFYZHV-CYBMUJFWSA-N 0 3 333.432 2.371 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)OCc1ccccc13)[C@H](O)CO2 ZINC000769778048 577584062 /nfs/dbraw/zinc/58/40/62/577584062.db2.gz QENQCIZFQJZVNX-QUCCMNQESA-N 0 3 339.391 2.449 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(C1)OCc1ccccc13)[C@H](O)CO2 ZINC000769778048 577584063 /nfs/dbraw/zinc/58/40/63/577584063.db2.gz QENQCIZFQJZVNX-QUCCMNQESA-N 0 3 339.391 2.449 20 10 EECDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCSc1nccs1 ZINC000759584586 577646087 /nfs/dbraw/zinc/64/60/87/577646087.db2.gz BKUFDORUIOVOJV-DGCLKSJQSA-N 0 3 340.518 2.407 20 10 EECDHN Cn1ccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000763460665 577721522 /nfs/dbraw/zinc/72/15/22/577721522.db2.gz OTACSCPAUZKCCW-QGZVFWFLSA-N 0 3 326.444 2.017 20 10 EECDHN COc1ccc(O)c([C@H](C)N[C@@H](CCSC)C(=O)N(C)OC)c1 ZINC000756757731 577849793 /nfs/dbraw/zinc/84/97/93/577849793.db2.gz BGCUERNVOLPOGE-FZMZJTMJSA-N 0 3 342.461 2.193 20 10 EECDHN CCOc1ccc(O)c(CNCc2ccc3c(c2)C(=O)NCC3)c1 ZINC000757941840 577866931 /nfs/dbraw/zinc/86/69/31/577866931.db2.gz IJWQSIBXPOMDCZ-UHFFFAOYSA-N 0 3 326.396 2.367 20 10 EECDHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243498 676235772 /nfs/dbraw/zinc/23/57/72/676235772.db2.gz OYIIQIWOPDYAJH-KURKYZTESA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cn2)N(C)C)cc1 ZINC000891249274 676243555 /nfs/dbraw/zinc/24/35/55/676243555.db2.gz QCXCJTKBTXQLML-KRWDZBQOSA-N 0 3 330.407 2.319 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(C)CCC(C)C)CC2)cc1 ZINC000052245424 679083616 /nfs/dbraw/zinc/08/36/16/679083616.db2.gz JVTSIXKCTPXFEY-UHFFFAOYSA-N 0 3 333.476 2.322 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cscn2)N(C)C)cc1 ZINC000892521167 681513242 /nfs/dbraw/zinc/51/32/42/681513242.db2.gz LFVHQIRQKISAQU-INIZCTEOSA-N 0 3 347.488 2.311 20 10 EECDHN COC(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893279191 684475393 /nfs/dbraw/zinc/47/53/93/684475393.db2.gz MMHRBMYDENCKQV-MRXNPFEDSA-N 0 3 336.480 2.080 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCSC2)N(C)C)cc1 ZINC000893296466 684564705 /nfs/dbraw/zinc/56/47/05/684564705.db2.gz TYIVNRRZFITLKU-GOEBONIOSA-N 0 3 336.505 2.160 20 10 EECDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000188135925 684618577 /nfs/dbraw/zinc/61/85/77/684618577.db2.gz FNBJTRVMVWEEPK-MAUKXSAKSA-N 0 3 337.439 2.040 20 10 EECDHN CCN(CCOC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101413 693606204 /nfs/dbraw/zinc/60/62/04/693606204.db2.gz HTRFNSVZYMXYAL-QGZVFWFLSA-N 0 3 336.480 2.033 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)C2CCOCC2)N(C)C)cc1 ZINC000899101001 693613043 /nfs/dbraw/zinc/61/30/43/693613043.db2.gz GLFIROJKMIKIMW-GOSISDBHSA-N 0 3 348.491 2.176 20 10 EECDHN CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272619809 1190934707 /nfs/dbraw/zinc/93/47/07/1190934707.db2.gz ZPGNSVBZZYZUQS-BEFAXECRSA-N 0 3 332.444 2.242 20 10 EECDHN CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272619809 1190934708 /nfs/dbraw/zinc/93/47/08/1190934708.db2.gz ZPGNSVBZZYZUQS-BEFAXECRSA-N 0 3 332.444 2.242 20 10 EECDHN CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794805355 1198005322 /nfs/dbraw/zinc/00/53/22/1198005322.db2.gz QCTYOLHOIZKFQE-CQSZACIVSA-N 0 3 328.478 2.459 20 10 EECDHN Cc1ccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c([O-])c1 ZINC000877503973 1199951240 /nfs/dbraw/zinc/95/12/40/1199951240.db2.gz YUYCUDCBFYMWPM-KRWDZBQOSA-N 0 3 340.423 2.470 20 10 EECDHN COCCc1ccc(OC[C@H](O)C[NH2+]Cc2c(C)cccc2[O-])cc1 ZINC000877620696 1199986054 /nfs/dbraw/zinc/98/60/54/1199986054.db2.gz LOKLBCGCMVBOOX-QGZVFWFLSA-N 0 3 345.439 2.419 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764855 1200080329 /nfs/dbraw/zinc/08/03/29/1200080329.db2.gz NGUHLJMBTHDRNL-HDICACEKSA-N 0 3 343.423 2.004 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764855 1200080338 /nfs/dbraw/zinc/08/03/38/1200080338.db2.gz NGUHLJMBTHDRNL-HDICACEKSA-N 0 3 343.423 2.004 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273984556 1202211034 /nfs/dbraw/zinc/21/10/34/1202211034.db2.gz JUADXLBWKLNZDY-QRWLVFNGSA-N 0 3 343.471 2.155 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099389 1204370569 /nfs/dbraw/zinc/37/05/69/1204370569.db2.gz GFQALPUVZSZKSZ-DJJJIMSYSA-N 0 3 348.418 2.242 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099389 1204370571 /nfs/dbraw/zinc/37/05/71/1204370571.db2.gz GFQALPUVZSZKSZ-DJJJIMSYSA-N 0 3 348.418 2.242 20 10 EECDHN CCc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC3COC3)CC2)c([O-])c1 ZINC001274654912 1205117934 /nfs/dbraw/zinc/11/79/34/1205117934.db2.gz HNWIOUOBHMHBSZ-KRWDZBQOSA-N 0 3 344.455 2.072 20 10 EECDHN CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cc1 ZINC001275833769 1205556447 /nfs/dbraw/zinc/55/64/47/1205556447.db2.gz QNWCUDSHIMTENG-KDURUIRLSA-N 0 3 325.460 2.325 20 10 EECDHN CCS(=O)(=O)CCNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850119126 1277045144 /nfs/dbraw/zinc/04/51/44/1277045144.db2.gz ZUNHCAOQULIDAV-UHFFFAOYSA-N 0 3 329.462 2.223 20 10 EECDHN COc1ccc(N2CCN(CC[C@H]3COC(C)(C)O3)CC2)cc1F ZINC000851809919 1291852151 /nfs/dbraw/zinc/85/21/51/1291852151.db2.gz ZJBFRZLQRRYWBA-HNNXBMFYSA-N 0 3 338.423 2.498 20 10 EECDHN CCc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c(O)c1 ZINC001276804568 1298002582 /nfs/dbraw/zinc/00/25/82/1298002582.db2.gz HAJCEEOYMVQPBU-QUCCMNQESA-N 0 3 341.455 2.368 20 10 EECDHN [O-]c1ccc(Cl)c(Cl)c1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222104841 1299355604 /nfs/dbraw/zinc/35/56/04/1299355604.db2.gz NKEPLCZWJFQMNX-UHFFFAOYSA-N 0 3 330.259 2.226 20 10 EECDHN COc1cc(CNC23CC(C(=O)NC(C)(C)C)(C2)C3)cc(O)c1O ZINC001277220160 1301889613 /nfs/dbraw/zinc/88/96/13/1301889613.db2.gz ZBFILERTRKEZLZ-UHFFFAOYSA-N 0 3 334.416 2.033 20 10 EECDHN O=C(Nc1nnco1)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441932 1303032081 /nfs/dbraw/zinc/03/20/81/1303032081.db2.gz RSZKWQYQEDLHOF-KDOFPFPSSA-N 0 3 342.399 2.406 20 10 EECDHN O=C(Nc1nnco1)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441932 1303032094 /nfs/dbraw/zinc/03/20/94/1303032094.db2.gz RSZKWQYQEDLHOF-KDOFPFPSSA-N 0 3 342.399 2.406 20 10 EECDHN COCCN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277445080 1303052749 /nfs/dbraw/zinc/05/27/49/1303052749.db2.gz AQNCIDGORMEBPM-XLIONFOSSA-N 0 3 346.471 2.489 20 10 EECDHN COCCN(C)C(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277445080 1303052750 /nfs/dbraw/zinc/05/27/50/1303052750.db2.gz AQNCIDGORMEBPM-XLIONFOSSA-N 0 3 346.471 2.489 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)[C@@H]2c2ccccc2)c([O-])c1 ZINC001277453661 1303164963 /nfs/dbraw/zinc/16/49/63/1303164963.db2.gz FBSMCNXNHOAZCZ-AEFFLSMTSA-N 0 3 326.396 2.449 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@H](C(N)=O)[C@@H]2c2ccccc2)c([O-])c1 ZINC001277453661 1303164965 /nfs/dbraw/zinc/16/49/65/1303164965.db2.gz FBSMCNXNHOAZCZ-AEFFLSMTSA-N 0 3 326.396 2.449 20 10 EECDHN COc1cc(CN2CCCN(Cc3ccncc3)CC2)c(O)cc1O ZINC001231635102 1303872288 /nfs/dbraw/zinc/87/22/88/1303872288.db2.gz VVFKCHLSOOHOIE-UHFFFAOYSA-N 0 3 343.427 2.209 20 10 EECDHN COc1cc(CN2CCC(NC(=O)C(C)(C)C)CC2)c(O)cc1O ZINC001231640200 1303876536 /nfs/dbraw/zinc/87/65/36/1303876536.db2.gz QVNOUNMNEOJDOJ-UHFFFAOYSA-N 0 3 336.432 2.233 20 10 EECDHN COC(=O)c1c(CN2CC(N3CCCC3)C2)c2ccccc2n1C ZINC001232404927 1304109313 /nfs/dbraw/zinc/10/93/13/1304109313.db2.gz DKDCEUGGGNLLRE-UHFFFAOYSA-N 0 3 327.428 2.245 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]([NH+](C)C)C2)cc1Br ZINC001233135389 1304372595 /nfs/dbraw/zinc/37/25/95/1304372595.db2.gz RSOQHFHXUYIKQX-NSHDSACASA-N 0 3 329.238 2.299 20 10 EECDHN CCNC(=O)OC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236751183 1305658365 /nfs/dbraw/zinc/65/83/65/1305658365.db2.gz BHRROHMQSYVLFV-UHFFFAOYSA-N 0 3 338.404 2.120 20 10 EECDHN COc1cc(CN2C[C@H]3CC[C@@H](C2)N3C)c(O)cc1Br ZINC001236756663 1305660593 /nfs/dbraw/zinc/66/05/93/1305660593.db2.gz MRCKZMMRQGLNMJ-TXEJJXNPSA-N 0 3 341.249 2.442 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001237485278 1305954572 /nfs/dbraw/zinc/95/45/72/1305954572.db2.gz FXZCGKSWWZRRBA-KVSKMBFKSA-N 0 3 344.455 2.302 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001237485278 1305954577 /nfs/dbraw/zinc/95/45/77/1305954577.db2.gz FXZCGKSWWZRRBA-KVSKMBFKSA-N 0 3 344.455 2.302 20 10 EECDHN COc1cc(CN2CCC(Oc3ccncn3)CC2)c(O)c(OC)c1 ZINC001237683834 1306046912 /nfs/dbraw/zinc/04/69/12/1306046912.db2.gz LEXOSWBWCASCRF-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN CN(Cc1cnc(N2CCN(C)CC2)s1)Cc1ccccc1O ZINC001139325359 1314731871 /nfs/dbraw/zinc/73/18/71/1314731871.db2.gz LMJYZTBCYNQEAW-UHFFFAOYSA-N 0 3 332.473 2.233 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C(=O)N(C)C)C3)c2c1 ZINC000840181197 1315319058 /nfs/dbraw/zinc/31/90/58/1315319058.db2.gz ZZOABZKZXGZTHR-CQSZACIVSA-N 0 3 328.412 2.464 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C(=O)N(C)C)C3)c2c1 ZINC000840181197 1315319063 /nfs/dbraw/zinc/31/90/63/1315319063.db2.gz ZZOABZKZXGZTHR-CQSZACIVSA-N 0 3 328.412 2.464 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CNCCO1 ZINC000841098792 1315475071 /nfs/dbraw/zinc/47/50/71/1315475071.db2.gz IYUTXIBMQIYNGH-SFHVURJKSA-N 0 3 328.412 2.049 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c([O-])c1 ZINC001249192624 1317021811 /nfs/dbraw/zinc/02/18/11/1317021811.db2.gz AUGZQRUDZJMKMV-HFTRVMKXSA-N 0 3 333.428 2.355 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c([O-])c1 ZINC001249192624 1317021820 /nfs/dbraw/zinc/02/18/20/1317021820.db2.gz AUGZQRUDZJMKMV-HFTRVMKXSA-N 0 3 333.428 2.355 20 10 EECDHN COc1nccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1F ZINC001249338872 1317056755 /nfs/dbraw/zinc/05/67/55/1317056755.db2.gz HMAGVENRUWRXKA-LLVKDONJSA-N 0 3 330.319 2.227 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC001249725595 1317159759 /nfs/dbraw/zinc/15/97/59/1317159759.db2.gz QWLJYNXFEWKVDJ-INIZCTEOSA-N 0 3 337.416 2.335 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC001249725595 1317159762 /nfs/dbraw/zinc/15/97/62/1317159762.db2.gz QWLJYNXFEWKVDJ-INIZCTEOSA-N 0 3 337.416 2.335 20 10 EECDHN Oc1cc2c(cc1O)CN(C[C@H](O)COCc1ccccc1)CCC2 ZINC001252289281 1317574823 /nfs/dbraw/zinc/57/48/23/1317574823.db2.gz WISGBUJXRJSVIG-SFHVURJKSA-N 0 3 343.423 2.424 20 10 EECDHN CCO[C@H]1CC[N@H+](Cc2ccc(OC)cc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001203623233 1321925256 /nfs/dbraw/zinc/92/52/56/1321925256.db2.gz NIPSQLSNPIFVSP-HKUYNNGSSA-N 0 3 345.443 2.356 20 10 EECDHN CCO[C@H]1CC[N@@H+](Cc2ccc(OC)cc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001203623233 1321925258 /nfs/dbraw/zinc/92/52/58/1321925258.db2.gz NIPSQLSNPIFVSP-HKUYNNGSSA-N 0 3 345.443 2.356 20 10 EECDHN N[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC001261501531 1322115284 /nfs/dbraw/zinc/11/52/84/1322115284.db2.gz DXEQVKMUFJKIFW-SFHVURJKSA-N 0 3 331.460 2.047 20 10 EECDHN N[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC001261501530 1322115419 /nfs/dbraw/zinc/11/54/19/1322115419.db2.gz DXEQVKMUFJKIFW-GOSISDBHSA-N 0 3 331.460 2.047 20 10 EECDHN COc1cc(Br)cc(C[N@H+](C)CCC2OCCO2)c1[O-] ZINC001204339755 1322116815 /nfs/dbraw/zinc/11/68/15/1322116815.db2.gz RVZYJBSZTXQVBP-UHFFFAOYSA-N 0 3 346.221 2.358 20 10 EECDHN COc1cc(Br)cc(C[N@@H+](C)CCC2OCCO2)c1[O-] ZINC001204339755 1322116822 /nfs/dbraw/zinc/11/68/22/1322116822.db2.gz RVZYJBSZTXQVBP-UHFFFAOYSA-N 0 3 346.221 2.358 20 10 EECDHN O=c1[nH]c(=O)c2c([nH]1)CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138219708 1372369235 /nfs/dbraw/zinc/36/92/35/1372369235.db2.gz MDVXJDNPWOGJQA-UHFFFAOYSA-N 0 3 340.427 2.436 20 10 EECDHN Oc1c(CN2CCCC3(C2)OCCO3)cc2c3c1CCCN3CCC2 ZINC001138340607 1372384590 /nfs/dbraw/zinc/38/45/90/1372384590.db2.gz WXBDJEBWEPWHEU-UHFFFAOYSA-N 0 3 344.455 2.430 20 10 EECDHN CC(C)OCCN(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755328826 1407326350 /nfs/dbraw/zinc/32/63/50/1407326350.db2.gz SQPABMWVMXMFNL-CYBMUJFWSA-N 0 3 349.435 2.324 20 10 EECDHN COC1(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000894077500 780505722 /nfs/dbraw/zinc/50/57/22/780505722.db2.gz AGLDCHSOJXQOCI-QGZVFWFLSA-N 0 3 348.491 2.224 20 10 EECDHN NC(=O)C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000809784957 783389051 /nfs/dbraw/zinc/38/90/51/783389051.db2.gz MWJPMDFXEDYUGX-HNNXBMFYSA-N 0 3 346.431 2.282 20 10 EECDHN CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000824737619 788278359 /nfs/dbraw/zinc/27/83/59/788278359.db2.gz CYZCANNMSWTFCF-UHFFFAOYSA-N 0 3 338.404 2.071 20 10 EECDHN CN(C)S(=O)(=O)c1cccc(CNCc2cc(F)ccc2O)c1 ZINC000824737619 788278370 /nfs/dbraw/zinc/27/83/70/788278370.db2.gz CYZCANNMSWTFCF-UHFFFAOYSA-N 0 3 338.404 2.071 20 10 EECDHN CNC(=O)COc1cccc(CNCc2ccc(N(C)C)cc2)c1 ZINC000916838302 797912873 /nfs/dbraw/zinc/91/28/73/797912873.db2.gz UTBIRQLIRIPGKN-UHFFFAOYSA-N 0 3 327.428 2.167 20 10 EECDHN CN(C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)S(C)(=O)=O ZINC000052085049 463061294 /nfs/dbraw/zinc/06/12/94/463061294.db2.gz OUXGWSVQTSSMPK-UHFFFAOYSA-N 0 3 348.468 2.401 20 10 EECDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000157962703 463191007 /nfs/dbraw/zinc/19/10/07/463191007.db2.gz KPPJDZYTXPXQNU-UHFFFAOYSA-N 0 3 348.491 2.005 20 10 EECDHN NC(=O)CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000159715386 463301618 /nfs/dbraw/zinc/30/16/18/463301618.db2.gz FMYUORQEDLAELL-UHFFFAOYSA-N 0 3 327.222 2.242 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1[C@H](C)CCC[C@@H]1C)cc2=O ZINC000072697309 463536373 /nfs/dbraw/zinc/53/63/73/463536373.db2.gz GQZXQHJIXDBAFA-TXEJJXNPSA-N 0 3 332.404 2.375 20 10 EECDHN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000126719308 463659392 /nfs/dbraw/zinc/65/93/92/463659392.db2.gz BSZXTFLIVATHFP-GDBMZVCRSA-N 0 3 349.450 2.324 20 10 EECDHN Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2=O)n(C)n1 ZINC000186083749 463933335 /nfs/dbraw/zinc/93/33/35/463933335.db2.gz IFHYDWDCZFXRKK-FZMZJTMJSA-N 0 3 332.379 2.029 20 10 EECDHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000269275749 463938122 /nfs/dbraw/zinc/93/81/22/463938122.db2.gz WLLAYODUFAFMDA-IUODEOHRSA-N 0 3 341.402 2.356 20 10 EECDHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000289696665 464090183 /nfs/dbraw/zinc/09/01/83/464090183.db2.gz HFMIWLDCKDEMRF-SJKOYZFVSA-N 0 3 336.407 2.029 20 10 EECDHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000289696665 464090189 /nfs/dbraw/zinc/09/01/89/464090189.db2.gz HFMIWLDCKDEMRF-SJKOYZFVSA-N 0 3 336.407 2.029 20 10 EECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000289771588 464093540 /nfs/dbraw/zinc/09/35/40/464093540.db2.gz RGWQDXTYAXCSFU-RDJZCZTQSA-N 0 3 334.460 2.476 20 10 EECDHN CCCOc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c([O-])c1 ZINC000289771588 464093544 /nfs/dbraw/zinc/09/35/44/464093544.db2.gz RGWQDXTYAXCSFU-RDJZCZTQSA-N 0 3 334.460 2.476 20 10 EECDHN C[C@H](CO)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC1CCC1 ZINC000280615407 464221484 /nfs/dbraw/zinc/22/14/84/464221484.db2.gz WDVUZVSNIXXYTD-MRXNPFEDSA-N 0 3 347.503 2.194 20 10 EECDHN C[C@H](CC[S@@](C)=O)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271476595 464319807 /nfs/dbraw/zinc/31/98/07/464319807.db2.gz JUNLMICLDKJTPO-XMQCVEROSA-N 0 3 342.480 2.470 20 10 EECDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1[O-] ZINC000189156775 464446932 /nfs/dbraw/zinc/44/69/32/464446932.db2.gz JWJFXMCLEQKQPP-QGZVFWFLSA-N 0 3 349.452 2.399 20 10 EECDHN CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000273391917 464712867 /nfs/dbraw/zinc/71/28/67/464712867.db2.gz KYKANDFJBNBSEY-NSHDSACASA-N 0 3 338.404 2.290 20 10 EECDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000183623188 464888644 /nfs/dbraw/zinc/88/86/44/464888644.db2.gz AMWUOMRCNZFDIE-LBPRGKRZSA-N 0 3 340.470 2.391 20 10 EECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000454867423 467620823 /nfs/dbraw/zinc/62/08/23/467620823.db2.gz CXBLLZUGSKMEQG-KDOFPFPSSA-N 0 3 326.444 2.332 20 10 EECDHN C[C@@H]1OCC[C@@]12CN(Cc1ccc(N3CCOCC3)cc1)C[C@@H](C)O2 ZINC000366150530 534191709 /nfs/dbraw/zinc/19/17/09/534191709.db2.gz DYHPNVFZGHZQBH-FUHIMQAGSA-N 0 3 346.471 2.292 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3C3CC3)CC2)cc1 ZINC000728571711 576507193 /nfs/dbraw/zinc/50/71/93/576507193.db2.gz KFZXJTASMQVABM-IBGZPJMESA-N 0 3 343.471 2.218 20 10 EECDHN COc1cccc([O-])c1C[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000730940639 577070646 /nfs/dbraw/zinc/07/06/46/577070646.db2.gz OLDHFBDPXLDJRW-UHFFFAOYSA-N 0 3 341.411 2.190 20 10 EECDHN COc1ccc(O)c(CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000734065046 577273314 /nfs/dbraw/zinc/27/33/14/577273314.db2.gz SOBDRHLDMHFTKH-UONOGXRCSA-N 0 3 335.448 2.463 20 10 EECDHN COCCOC[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773022018 577310963 /nfs/dbraw/zinc/31/09/63/577310963.db2.gz AJUSRPZFUODIGV-LSDHHAIUSA-N 0 3 340.439 2.364 20 10 EECDHN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775831452 577446811 /nfs/dbraw/zinc/44/68/11/577446811.db2.gz SFYJIAAIHRDDGN-PBHICJAKSA-N 0 3 349.475 2.107 20 10 EECDHN CN(C)c1ccc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)cc1F ZINC000776519677 577461343 /nfs/dbraw/zinc/46/13/43/577461343.db2.gz CGVLFFKHJRTRJE-QGZVFWFLSA-N 0 3 326.412 2.074 20 10 EECDHN C[C@H](N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000777113697 577473437 /nfs/dbraw/zinc/47/34/37/577473437.db2.gz HWPYYIPDZNYPMD-DEYYWGMASA-N 0 3 341.459 2.331 20 10 EECDHN C[C@@H](NCC(=O)N1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000765416954 577500682 /nfs/dbraw/zinc/50/06/82/577500682.db2.gz OUSCLCNGOYVTNN-QGZVFWFLSA-N 0 3 344.503 2.102 20 10 EECDHN CN1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H](c2ccccc2)C1 ZINC000768439279 577555628 /nfs/dbraw/zinc/55/56/28/577555628.db2.gz JUOFXMOXWBYNOD-MJGOQNOKSA-N 0 3 340.423 2.307 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763649348 577723980 /nfs/dbraw/zinc/72/39/80/577723980.db2.gz AYWKWERMKWFHHT-KRWDZBQOSA-N 0 3 330.428 2.051 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ncccc2F)N(C)C)cc1 ZINC000891247608 676241979 /nfs/dbraw/zinc/24/19/79/676241979.db2.gz IIOYORKTWBEALN-SFHVURJKSA-N 0 3 344.434 2.248 20 10 EECDHN Cc1cnccc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248467 676242842 /nfs/dbraw/zinc/24/28/42/676242842.db2.gz MCUHUJOXSLRLLR-IBGZPJMESA-N 0 3 340.471 2.418 20 10 EECDHN Cc1cc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891247914 676243137 /nfs/dbraw/zinc/24/31/37/676243137.db2.gz LHQGNRGIQJSGDT-QGZVFWFLSA-N 0 3 330.432 2.011 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)COC2(C)CCC2)N(C)C)cc1 ZINC000891251859 676248514 /nfs/dbraw/zinc/24/85/14/676248514.db2.gz HPRYYKCPYGJPBA-QGZVFWFLSA-N 0 3 333.476 2.431 20 10 EECDHN Cc1n[nH]c(C)c1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255817 676253107 /nfs/dbraw/zinc/25/31/07/676253107.db2.gz SEPOQAFPVHPHNS-GOSISDBHSA-N 0 3 343.475 2.054 20 10 EECDHN CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000051502169 678269152 /nfs/dbraw/zinc/26/91/52/678269152.db2.gz ZZFGCQPWGFKKTE-UHFFFAOYSA-N 0 3 349.450 2.153 20 10 EECDHN CO[C@H](C)[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894977893 683447525 /nfs/dbraw/zinc/44/75/25/683447525.db2.gz WAFGBWATFRKSFE-CPUCHLNUSA-N 0 3 336.480 2.078 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCOC2)N(C)C)cc1 ZINC000899102602 693606762 /nfs/dbraw/zinc/60/67/62/693606762.db2.gz RFZALLUNMFSHSU-CRAIPNDOSA-N 0 3 348.491 2.033 20 10 EECDHN C[C@@H]1OCC[C@@]1(C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104962 693607577 /nfs/dbraw/zinc/60/75/77/693607577.db2.gz UCRDSJOIEXFYKP-POZUXBRTSA-N 0 3 348.491 2.222 20 10 EECDHN CC[C@@H](C)N1C[C@]2(CCN(Cc3cc(F)ccc3O)C2)OCC1=O ZINC001273285298 1197954307 /nfs/dbraw/zinc/95/43/07/1197954307.db2.gz PNWIGPYJKKYUKG-FZKQIMNGSA-N 0 3 336.407 2.133 20 10 EECDHN CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285298 1197954310 /nfs/dbraw/zinc/95/43/10/1197954310.db2.gz PNWIGPYJKKYUKG-FZKQIMNGSA-N 0 3 336.407 2.133 20 10 EECDHN CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285298 1197954315 /nfs/dbraw/zinc/95/43/15/1197954315.db2.gz PNWIGPYJKKYUKG-FZKQIMNGSA-N 0 3 336.407 2.133 20 10 EECDHN CCCOc1ccc(CN[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C ZINC000873025994 1198477201 /nfs/dbraw/zinc/47/72/01/1198477201.db2.gz GWCNWLJBUYMWBZ-MRXNPFEDSA-N 0 3 340.489 2.297 20 10 EECDHN CCOc1ccc(N2CCN(Cc3c(C)cccc3O)CC2)nn1 ZINC000877640957 1200000007 /nfs/dbraw/zinc/00/00/07/1200000007.db2.gz KBXNWTRBFFSAKM-UHFFFAOYSA-N 0 3 328.416 2.212 20 10 EECDHN C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000879649138 1201193005 /nfs/dbraw/zinc/19/30/05/1201193005.db2.gz JGBGPZJBDGDNEO-FZKQIMNGSA-N 0 3 349.452 2.354 20 10 EECDHN COc1ccc(O)c([C@@H](C)NC[C@H](n2cncn2)C(F)(F)F)c1 ZINC000866435934 1201517137 /nfs/dbraw/zinc/51/71/37/1201517137.db2.gz HLAIYYABIUPXNN-RNCFNFMXSA-N 0 3 330.310 2.447 20 10 EECDHN Cn1ncc(CNCc2ccc(N3CCN(C)CC3)cc2)c1Cl ZINC000883283575 1202040502 /nfs/dbraw/zinc/04/05/02/1202040502.db2.gz KPGBYTPUDHSXKF-UHFFFAOYSA-N 0 3 333.867 2.115 20 10 EECDHN COc1cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000886293788 1202489023 /nfs/dbraw/zinc/48/90/23/1202489023.db2.gz QNMAMVANUWZBIO-XHDPSFHLSA-N 0 3 341.473 2.221 20 10 EECDHN Cc1cc(F)cc(C[NH+]2CCC3(CCN(C4COC4)C3=O)CC2)c1[O-] ZINC001274100208 1204369453 /nfs/dbraw/zinc/36/94/53/1204369453.db2.gz XWCWFBBDTCTCLA-UHFFFAOYSA-N 0 3 348.418 2.053 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001274779319 1205160717 /nfs/dbraw/zinc/16/07/17/1205160717.db2.gz FYPPAYSXBDIIHD-IBGZPJMESA-N 0 3 330.428 2.487 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001274779319 1205160719 /nfs/dbraw/zinc/16/07/19/1205160719.db2.gz FYPPAYSXBDIIHD-IBGZPJMESA-N 0 3 330.428 2.487 20 10 EECDHN COc1ccc(N2CCCC[C@]23CC(=O)N(CCN(C)C)C3)cc1F ZINC001274866208 1205195657 /nfs/dbraw/zinc/19/56/57/1205195657.db2.gz QVHPZMUJFQNZFT-LJQANCHMSA-N 0 3 349.450 2.357 20 10 EECDHN Cc1cnccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000930621969 1206571137 /nfs/dbraw/zinc/57/11/37/1206571137.db2.gz UQYXKZKEJPKAKJ-SFHVURJKSA-N 0 3 341.459 2.302 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(CC(C)C)C3CC3)CC2)cc1 ZINC000045751477 1208371047 /nfs/dbraw/zinc/37/10/47/1208371047.db2.gz ROPJJBHADMOWGT-UHFFFAOYSA-N 0 3 345.487 2.464 20 10 EECDHN CC(C)C[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185676 1234073759 /nfs/dbraw/zinc/07/37/59/1234073759.db2.gz QTWHVSWCXQDXNY-DLBZAZTESA-N 0 3 346.475 2.322 20 10 EECDHN COC[C@@H](C)N1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863360 1235260672 /nfs/dbraw/zinc/26/06/72/1235260672.db2.gz XUGZMPWTNQDWHB-SJKOYZFVSA-N 0 3 347.419 2.078 20 10 EECDHN C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000903234567 1240061447 /nfs/dbraw/zinc/06/14/47/1240061447.db2.gz OEVFBRCLEMCMFB-GZBFAFLISA-N 0 3 326.462 2.151 20 10 EECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000815607313 1278159435 /nfs/dbraw/zinc/15/94/35/1278159435.db2.gz WFWZFZBOYSWPMS-CKFHNAJUSA-N 0 3 345.443 2.380 20 10 EECDHN CN(C)c1cc(F)c(CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1F ZINC000862381061 1295816490 /nfs/dbraw/zinc/81/64/90/1295816490.db2.gz TXLSEYCSDGUDIV-QZTJIDSGSA-N 0 3 340.414 2.441 20 10 EECDHN O=C1c2cccc(O[C@H]3C[NH2+]CC[C@H]3F)c2C(=O)c2cccc([O-])c21 ZINC001218319282 1297631432 /nfs/dbraw/zinc/63/14/32/1297631432.db2.gz FHRIKHSTKFKYEU-DOMZBBRYSA-N 0 3 341.338 2.246 20 10 EECDHN C[C@@H](N)C(=O)Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001219427519 1298015932 /nfs/dbraw/zinc/01/59/32/1298015932.db2.gz KTWYYHGVJGMJHE-CQSZACIVSA-N 0 3 341.459 2.127 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001231467903 1303810131 /nfs/dbraw/zinc/81/01/31/1303810131.db2.gz NOLCUITYNNPVEB-PXNSSMCTSA-N 0 3 343.423 2.146 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001231467903 1303810136 /nfs/dbraw/zinc/81/01/36/1303810136.db2.gz NOLCUITYNNPVEB-PXNSSMCTSA-N 0 3 343.423 2.146 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3cccc(C)n3)C2)c(O)cc1O ZINC001231638905 1303875184 /nfs/dbraw/zinc/87/51/84/1303875184.db2.gz BZFSADWUQHUPRE-AWEZNQCLSA-N 0 3 330.384 2.463 20 10 EECDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)N[C@H](C)c3ncc[nH]3)C2)c(O)c1 ZINC001277567424 1303920215 /nfs/dbraw/zinc/92/02/15/1303920215.db2.gz GPMHLKORYJXQAP-UKRRQHHQSA-N 0 3 340.427 2.123 20 10 EECDHN C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1[O-] ZINC000783494894 1304287960 /nfs/dbraw/zinc/28/79/60/1304287960.db2.gz QLQRKEDQBSRROO-CYBMUJFWSA-N 0 3 331.416 2.298 20 10 EECDHN CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Br)c(OC)cc1[O-] ZINC001233142911 1304374824 /nfs/dbraw/zinc/37/48/24/1304374824.db2.gz RBBLUFQOWCNCDN-RYUDHWBXSA-N 0 3 341.249 2.442 20 10 EECDHN CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Br)c(OC)cc1[O-] ZINC001233142911 1304374830 /nfs/dbraw/zinc/37/48/30/1304374830.db2.gz RBBLUFQOWCNCDN-RYUDHWBXSA-N 0 3 341.249 2.442 20 10 EECDHN CCN(Cc1ccc(I)cc1[O-])[C@@H]1CC[NH2+]C1 ZINC001235971165 1305461688 /nfs/dbraw/zinc/46/16/88/1305461688.db2.gz RATFGTNOYVHSNI-GFCCVEGCSA-N 0 3 346.212 2.181 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1Br ZINC001235997731 1305471780 /nfs/dbraw/zinc/47/17/80/1305471780.db2.gz ZHMHPEBDKVNXAI-QMTHXVAHSA-N 0 3 327.222 2.086 20 10 EECDHN O=C1COC2(CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)CN1 ZINC001236830555 1305693081 /nfs/dbraw/zinc/69/30/81/1305693081.db2.gz BMSFWEMIZPTQMF-UHFFFAOYSA-N 0 3 326.396 2.026 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001237488496 1305955811 /nfs/dbraw/zinc/95/58/11/1305955811.db2.gz MEZZYAZJWSBWSZ-UHFFFAOYSA-N 0 3 344.455 2.304 20 10 EECDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cc(F)cc(C)c3[O-])CC[C@H]21 ZINC001238061281 1306204286 /nfs/dbraw/zinc/20/42/86/1306204286.db2.gz LCHJBNUNXUJCKN-SJORKVTESA-N 0 3 336.407 2.051 20 10 EECDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3cc(F)cc(C)c3[O-])CC[C@H]21 ZINC001238061281 1306204292 /nfs/dbraw/zinc/20/42/92/1306204292.db2.gz LCHJBNUNXUJCKN-SJORKVTESA-N 0 3 336.407 2.051 20 10 EECDHN O=S(=O)(CC[NH2+][C@@H]1CCc2cccc([O-])c21)NCc1ccccc1 ZINC000834534700 1314848232 /nfs/dbraw/zinc/84/82/32/1314848232.db2.gz UFNNMJKZVWTLQR-MRXNPFEDSA-N 0 3 346.452 2.089 20 10 EECDHN CCN(Cc1ccc(N2CCN(CC)CC2)cc1)[C@@H](C)C(=O)OC ZINC001140309407 1314864782 /nfs/dbraw/zinc/86/47/82/1314864782.db2.gz FLOSLOFICLOGGW-INIZCTEOSA-N 0 3 333.476 2.212 20 10 EECDHN Cc1c(O)ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001140750078 1314955486 /nfs/dbraw/zinc/95/54/86/1314955486.db2.gz UVYBOHRCMOWXQH-ZIAGYGMSSA-N 0 3 334.416 2.457 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000840976757 1315450571 /nfs/dbraw/zinc/45/05/71/1315450571.db2.gz XGNBPJMEWCIIJY-PKOBYXMFSA-N 0 3 343.423 2.146 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000840976757 1315450573 /nfs/dbraw/zinc/45/05/73/1315450573.db2.gz XGNBPJMEWCIIJY-PKOBYXMFSA-N 0 3 343.423 2.146 20 10 EECDHN C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000841114170 1315479261 /nfs/dbraw/zinc/47/92/61/1315479261.db2.gz WUXSDWRFXOBPDY-GUYCJALGSA-N 0 3 340.427 2.015 20 10 EECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@]1(O)CCc2ccccc21 ZINC000842624107 1315736613 /nfs/dbraw/zinc/73/66/13/1315736613.db2.gz NBVMEQRJDLGOED-AZUAARDMSA-N 0 3 341.407 2.084 20 10 EECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@]1(O)CCc2ccccc21 ZINC000842624107 1315736617 /nfs/dbraw/zinc/73/66/17/1315736617.db2.gz NBVMEQRJDLGOED-AZUAARDMSA-N 0 3 341.407 2.084 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001249214243 1317024416 /nfs/dbraw/zinc/02/44/16/1317024416.db2.gz IZKIEQIHJUASKB-HNNXBMFYSA-N 0 3 345.399 2.179 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(C)o3)C2)c([O-])c1 ZINC001249214243 1317024428 /nfs/dbraw/zinc/02/44/28/1317024428.db2.gz IZKIEQIHJUASKB-HNNXBMFYSA-N 0 3 345.399 2.179 20 10 EECDHN CC1(C)C=Cc2c(O)c(CN3CCN(CCCO)CC3)ccc2O1 ZINC001249230418 1317030232 /nfs/dbraw/zinc/03/02/32/1317030232.db2.gz GRLCTXXYWLIJDO-UHFFFAOYSA-N 0 3 332.444 2.076 20 10 EECDHN Cc1cc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])cc1Br ZINC001250133759 1317217960 /nfs/dbraw/zinc/21/79/60/1317217960.db2.gz RORQPVUUWWXIEQ-CMPLNLGQSA-N 0 3 339.233 2.031 20 10 EECDHN Cc1cc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c([O-])cc1Br ZINC001250133759 1317217965 /nfs/dbraw/zinc/21/79/65/1317217965.db2.gz RORQPVUUWWXIEQ-CMPLNLGQSA-N 0 3 339.233 2.031 20 10 EECDHN COc1ccc(N2CCN(C3CCN(C(C)=O)CC3)CC2)c(C)c1 ZINC001254431303 1318074880 /nfs/dbraw/zinc/07/48/80/1318074880.db2.gz KPRPMXNNZITDAN-UHFFFAOYSA-N 0 3 331.460 2.137 20 10 EECDHN Nc1cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])ncn1 ZINC001160624508 1320216101 /nfs/dbraw/zinc/21/61/01/1320216101.db2.gz PVNDQXKWCWHRNE-QZTJIDSGSA-N 0 3 337.383 2.323 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001203635158 1321929104 /nfs/dbraw/zinc/92/91/04/1321929104.db2.gz LWMLEVFGUBVJGC-HNNXBMFYSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@H](Oc3ncccc3OC)C2)c([O-])c1 ZINC001203635158 1321929106 /nfs/dbraw/zinc/92/91/06/1321929106.db2.gz LWMLEVFGUBVJGC-HNNXBMFYSA-N 0 3 330.384 2.458 20 10 EECDHN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(O)cc1O)C2 ZINC001204274573 1322100241 /nfs/dbraw/zinc/10/02/41/1322100241.db2.gz PGWHCLYCWHYIQA-UHFFFAOYSA-N 0 3 330.432 2.150 20 10 EECDHN NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204282021 1322103052 /nfs/dbraw/zinc/10/30/52/1322103052.db2.gz MKEDAHUMFHQGRU-QGZVFWFLSA-N 0 3 342.395 2.240 20 10 EECDHN NC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204282021 1322103058 /nfs/dbraw/zinc/10/30/58/1322103058.db2.gz MKEDAHUMFHQGRU-QGZVFWFLSA-N 0 3 342.395 2.240 20 10 EECDHN COc1cc(Br)cc(CN2CC[C@@H](CO)[C@H]2C)c1O ZINC001204336254 1322114989 /nfs/dbraw/zinc/11/49/89/1322114989.db2.gz JHCBXPAKKYRCKF-ZJUUUORDSA-N 0 3 330.222 2.366 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]([NH3+])[C@@H](F)CC2)c(Br)c1 ZINC001206201888 1323425208 /nfs/dbraw/zinc/42/52/08/1323425208.db2.gz ZPQYRQUDBRHHTD-STQMWFEESA-N 0 3 347.228 2.425 20 10 EECDHN CN1CCN(c2ccc(CN3CCC[C@](C)(CO)C3)cc2F)CC1 ZINC001319822977 1332777017 /nfs/dbraw/zinc/77/70/17/1332777017.db2.gz JTWSXBUNWRIPCQ-IBGZPJMESA-N 0 3 335.467 2.172 20 10 EECDHN CN(CCOCC1CC1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319961674 1332802334 /nfs/dbraw/zinc/80/23/34/1332802334.db2.gz DQRMOVDUIAZMIY-UHFFFAOYSA-N 0 3 335.467 2.436 20 10 EECDHN CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001604055643 1350841824 /nfs/dbraw/zinc/84/18/24/1350841824.db2.gz REGVYQXLSRGQKC-XEZPLFJOSA-N 0 3 344.463 2.486 20 10 EECDHN COc1cc(C)cc(C[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)c1O ZINC001605202940 1351101607 /nfs/dbraw/zinc/10/16/07/1351101607.db2.gz KDIJWJDDJABTMS-UHFFFAOYSA-N 0 3 339.399 2.222 20 10 EECDHN CCC(=O)CN1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273953276 1369254299 /nfs/dbraw/zinc/25/42/99/1369254299.db2.gz JWHYPDDOJAIOBU-FQEVSTJZSA-N 0 3 343.471 2.156 20 10 EECDHN CN(C)c1cc(F)c(CN2CCN(C3CCOCC3)CC2)cc1F ZINC000862248466 1369526911 /nfs/dbraw/zinc/52/69/11/1369526911.db2.gz YQDCIIGXMLVWGU-UHFFFAOYSA-N 0 3 339.430 2.327 20 10 EECDHN CC(=O)N1CCC[C@]2(CN(Cc3c(C)ccc(C)c3O)CCO2)C1 ZINC001140180335 1372546326 /nfs/dbraw/zinc/54/63/26/1372546326.db2.gz VGWTYYURWPHWHX-IBGZPJMESA-N 0 3 332.444 2.222 20 10 EECDHN CC(C)[C@H](C(=O)NCCC1=CCN(c2cccc(F)n2)CC1)N(C)C ZINC001089840471 777573662 /nfs/dbraw/zinc/57/36/62/777573662.db2.gz RMCQQJAHEBYVRZ-GOSISDBHSA-N 0 3 348.466 2.450 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1[O-] ZINC000816666876 784180223 /nfs/dbraw/zinc/18/02/23/784180223.db2.gz XUCDXAYTOCTALR-IRXDYDNUSA-N 0 3 341.835 2.464 20 10 EECDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)n1-c1cccc(C)c1 ZINC000818007694 785161970 /nfs/dbraw/zinc/16/19/70/785161970.db2.gz HZLOUUFUCSWKQP-KRWDZBQOSA-N 0 3 327.428 2.121 20 10 EECDHN COc1ccc(N2CCC(NCc3ccnc(OC)n3)CC2)cc1 ZINC000823757962 787921459 /nfs/dbraw/zinc/92/14/59/787921459.db2.gz RZNSKKPCAVPIOQ-UHFFFAOYSA-N 0 3 328.416 2.252 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846191287 790085032 /nfs/dbraw/zinc/08/50/32/790085032.db2.gz XMMJYDUDKLNMMN-CMPLNLGQSA-N 0 3 332.853 2.039 20 10 EECDHN CN(CCO[C@@H]1CCCCO1)Cc1ccc(N2CCOCC2)cc1 ZINC000193041014 529924806 /nfs/dbraw/zinc/92/48/06/529924806.db2.gz SRTUJWUCCFHDDE-LJQANCHMSA-N 0 3 334.460 2.498 20 10 EECDHN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090182459 237026664 /nfs/dbraw/zinc/02/66/64/237026664.db2.gz VOVHCXXXONTZRR-ZFWWWQNUSA-N 0 3 347.434 2.076 20 10 EECDHN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000192745029 237337045 /nfs/dbraw/zinc/33/70/45/237337045.db2.gz VTBRRJCDJNMIRT-ZDUSSCGKSA-N 0 3 326.462 2.165 20 10 EECDHN COc1cc(O)c(CN(C)CCNC(=O)OC(C)(C)C)cc1OC ZINC000296487065 465210908 /nfs/dbraw/zinc/21/09/08/465210908.db2.gz IQXMGVZHIYQBCX-UHFFFAOYSA-N 0 3 340.420 2.366 20 10 EECDHN CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155682339 462928157 /nfs/dbraw/zinc/92/81/57/462928157.db2.gz QEPFZTXSYJMPPH-GOSISDBHSA-N 0 3 328.460 2.298 20 10 EECDHN CN(C)c1ccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000077458408 462989022 /nfs/dbraw/zinc/98/90/22/462989022.db2.gz RNWJBRBDXHALDU-KBPBESRZSA-N 0 3 328.453 2.337 20 10 EECDHN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000185201331 463775611 /nfs/dbraw/zinc/77/56/11/463775611.db2.gz WYNISFCNCSSPNH-CYBMUJFWSA-N 0 3 344.411 2.490 20 10 EECDHN CC(C)[C@@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000269275750 463937550 /nfs/dbraw/zinc/93/75/50/463937550.db2.gz WLLAYODUFAFMDA-SWLSCSKDSA-N 0 3 341.402 2.356 20 10 EECDHN COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000186128108 463939726 /nfs/dbraw/zinc/93/97/26/463939726.db2.gz QMJZSMUFXXHFLM-CYBMUJFWSA-N 0 3 336.432 2.079 20 10 EECDHN CCC[C@@]1(CO)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000288744214 464057533 /nfs/dbraw/zinc/05/75/33/464057533.db2.gz HPNSIDHPVZOWAZ-HXUWFJFHSA-N 0 3 347.503 2.196 20 10 EECDHN CN(C)c1ccc(CN(C)CC(C)(CO)CO)c(C(F)(F)F)c1 ZINC000280134791 464189648 /nfs/dbraw/zinc/18/96/48/464189648.db2.gz DRTQPVFDUUNDOE-UHFFFAOYSA-N 0 3 334.382 2.194 20 10 EECDHN CN1CCN(C)[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000264736531 464443031 /nfs/dbraw/zinc/44/30/31/464443031.db2.gz JBDKDSICZXJSGU-LJQANCHMSA-N 0 3 325.456 2.395 20 10 EECDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000281431803 464451896 /nfs/dbraw/zinc/45/18/96/464451896.db2.gz ZRMLYQCGTKFMML-GOSISDBHSA-N 0 3 337.416 2.193 20 10 EECDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000281431803 464451902 /nfs/dbraw/zinc/45/19/02/464451902.db2.gz ZRMLYQCGTKFMML-GOSISDBHSA-N 0 3 337.416 2.193 20 10 EECDHN C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cc(F)ccc1[O-] ZINC000285600891 464625280 /nfs/dbraw/zinc/62/52/80/464625280.db2.gz ILNKXAAABMFZCA-DGCLKSJQSA-N 0 3 342.436 2.139 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c([O-])c1C ZINC000273463227 464716947 /nfs/dbraw/zinc/71/69/47/464716947.db2.gz IMGDSXFYNGPBEG-ZIAGYGMSSA-N 0 3 326.462 2.084 20 10 EECDHN O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000176236778 464728581 /nfs/dbraw/zinc/72/85/81/464728581.db2.gz IUGCRGDMENDKST-HNNXBMFYSA-N 0 3 346.387 2.178 20 10 EECDHN O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000176236778 464728588 /nfs/dbraw/zinc/72/85/88/464728588.db2.gz IUGCRGDMENDKST-HNNXBMFYSA-N 0 3 346.387 2.178 20 10 EECDHN CCCOc1ccc(C[NH2+]CCCOCCOCCOC)c([O-])c1 ZINC000274375494 464742426 /nfs/dbraw/zinc/74/24/26/464742426.db2.gz HPJMNVOGOGUELX-UHFFFAOYSA-N 0 3 341.448 2.340 20 10 EECDHN CCO[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)[C@]12CCCO2 ZINC000360722249 465600194 /nfs/dbraw/zinc/60/01/94/465600194.db2.gz SNMJNSNDYXYQGE-XUVXKRRUSA-N 0 3 346.471 2.339 20 10 EECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](N)Cc1ccccc1 ZINC000649347716 470555403 /nfs/dbraw/zinc/55/54/03/470555403.db2.gz TUUDZXWNBKSZSR-MRXNPFEDSA-N 0 3 339.439 2.438 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CCCn2cncn2)c1[O-] ZINC000776174960 577453813 /nfs/dbraw/zinc/45/38/13/577453813.db2.gz SLZTVUBWPYMWER-UHFFFAOYSA-N 0 3 325.210 2.235 20 10 EECDHN C[C@@H](NCCNc1cnccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766583220 577521880 /nfs/dbraw/zinc/52/18/80/577521880.db2.gz CBANJCIRZBGHMK-CQSZACIVSA-N 0 3 345.422 2.215 20 10 EECDHN [O-]c1cc2c(cc1CN1CCC[C@@H]([NH+]3CCCC3)CC1)[C@H](O)CO2 ZINC000768448887 577555892 /nfs/dbraw/zinc/55/58/92/577555892.db2.gz YCYONKDUMLKYBL-CRAIPNDOSA-N 0 3 332.444 2.268 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+](CCC(=O)OC)C2CCOCC2)c1 ZINC000769506852 577579408 /nfs/dbraw/zinc/57/94/08/577579408.db2.gz XOBMUCVGDVETLU-UHFFFAOYSA-N 0 3 337.416 2.335 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+](CCC(=O)OC)C2CCOCC2)c1 ZINC000769506852 577579409 /nfs/dbraw/zinc/57/94/09/577579409.db2.gz XOBMUCVGDVETLU-UHFFFAOYSA-N 0 3 337.416 2.335 20 10 EECDHN CCN(CCC1CC1)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000760885368 577671395 /nfs/dbraw/zinc/67/13/95/577671395.db2.gz JJZMOKMEDZVNNV-UHFFFAOYSA-N 0 3 345.487 2.466 20 10 EECDHN CCOc1cccc(CNCc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000757691750 577862612 /nfs/dbraw/zinc/86/26/12/577862612.db2.gz CRPNGKCRHAKOFZ-UHFFFAOYSA-N 0 3 347.436 2.411 20 10 EECDHN CC[C@@](C)(CC(=O)OC)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000748242316 577958101 /nfs/dbraw/zinc/95/81/01/577958101.db2.gz KXSMPLFKQWFTDU-SFHVURJKSA-N 0 3 338.423 2.484 20 10 EECDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccnn1C ZINC000891250549 676245326 /nfs/dbraw/zinc/24/53/26/676245326.db2.gz WUXAXDAEVONJPS-KSSFIOAISA-N 0 3 343.475 2.009 20 10 EECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC[C@H]1CCCO1 ZINC000237217647 683903529 /nfs/dbraw/zinc/90/35/29/683903529.db2.gz IBCYODYDAYGTRW-LJQANCHMSA-N 0 3 345.487 2.404 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CC[C@@H](O)C2CC2)c1[O-] ZINC000898207028 691894476 /nfs/dbraw/zinc/89/44/76/691894476.db2.gz YQKNMDWUCFEUIR-GFCCVEGCSA-N 0 3 330.222 2.414 20 10 EECDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H](C)CO1 ZINC000899103446 693607052 /nfs/dbraw/zinc/60/70/52/693607052.db2.gz MKWMCGFVEHWKEF-IIDMSEBBSA-N 0 3 348.491 2.174 20 10 EECDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)CO1 ZINC000899103445 693607131 /nfs/dbraw/zinc/60/71/31/693607131.db2.gz MKWMCGFVEHWKEF-HDMKZQKVSA-N 0 3 348.491 2.174 20 10 EECDHN CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)cc1O ZINC001272764934 1193486829 /nfs/dbraw/zinc/48/68/29/1193486829.db2.gz DBNDKJHOVIBYNZ-IAOVAPTHSA-N 0 3 330.428 2.243 20 10 EECDHN COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618230 1190933097 /nfs/dbraw/zinc/93/30/97/1190933097.db2.gz CYZPFOLZQDXJPT-LJQANCHMSA-N 0 3 332.444 2.242 20 10 EECDHN COC(C)(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618230 1190933099 /nfs/dbraw/zinc/93/30/99/1190933099.db2.gz CYZPFOLZQDXJPT-LJQANCHMSA-N 0 3 332.444 2.242 20 10 EECDHN CC[C@@H](C)N1C[C@@]2(CCN(Cc3cc(OC)ccc3O)C2)OCC1=O ZINC001272637632 1190943821 /nfs/dbraw/zinc/94/38/21/1190943821.db2.gz MGHAWMXNAYJXGR-KUHUBIRLSA-N 0 3 348.443 2.003 20 10 EECDHN CC[C@@H](C)N1C[C@]2(CCN(Cc3cc(OC)ccc3O)C2)OCC1=O ZINC001272637624 1190943995 /nfs/dbraw/zinc/94/39/95/1190943995.db2.gz MGHAWMXNAYJXGR-AUUYWEPGSA-N 0 3 348.443 2.003 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273283870 1197950864 /nfs/dbraw/zinc/95/08/64/1197950864.db2.gz ASRKPSZGBKTNTC-SFHVURJKSA-N 0 3 345.374 2.144 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273283870 1197950868 /nfs/dbraw/zinc/95/08/68/1197950868.db2.gz ASRKPSZGBKTNTC-SFHVURJKSA-N 0 3 345.374 2.144 20 10 EECDHN CN1C[C@]2(CCN(Cc3ccc(N4CCCCC4)cc3)C2)OCC1=O ZINC001273307240 1198011795 /nfs/dbraw/zinc/01/17/95/1198011795.db2.gz UFDCKLRPZWBACJ-FQEVSTJZSA-N 0 3 343.471 2.110 20 10 EECDHN C[C@@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1O ZINC000874190764 1198817792 /nfs/dbraw/zinc/81/77/92/1198817792.db2.gz JDWQDQYTDSBEMH-CYBMUJFWSA-N 0 3 341.411 2.270 20 10 EECDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)NC(C)(C)C ZINC000876974168 1199833856 /nfs/dbraw/zinc/83/38/56/1199833856.db2.gz YZEMVXBDURPFMX-AWEZNQCLSA-N 0 3 333.476 2.041 20 10 EECDHN C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1[O-] ZINC000879648342 1201193956 /nfs/dbraw/zinc/19/39/56/1201193956.db2.gz KLXKXGZNODKYBN-CYBMUJFWSA-N 0 3 341.411 2.383 20 10 EECDHN CN1CCN(c2ccc(CNCc3cn(C(C)(C)C)nn3)cc2)CC1 ZINC000883283887 1202040536 /nfs/dbraw/zinc/04/05/36/1202040536.db2.gz XABWSADXGCIHCK-UHFFFAOYSA-N 0 3 342.491 2.075 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCN2CCC2CC2)cc1 ZINC001039060580 1230272728 /nfs/dbraw/zinc/27/27/28/1230272728.db2.gz LMFFLAWWONHNML-OAHLLOKOSA-N 0 3 329.404 2.453 20 10 EECDHN C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000801735911 1236110719 /nfs/dbraw/zinc/11/07/19/1236110719.db2.gz ZIYXJMSMIXQQCP-AWEZNQCLSA-N 0 3 334.441 2.239 20 10 EECDHN CC[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(C)cc1[O-] ZINC000903290986 1240186965 /nfs/dbraw/zinc/18/69/65/1240186965.db2.gz LDFZECPWTCIHEC-HNNXBMFYSA-N 0 3 326.462 2.167 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000903290770 1240187160 /nfs/dbraw/zinc/18/71/60/1240187160.db2.gz FHHGSWXTOFITSH-DGCLKSJQSA-N 0 3 342.436 2.095 20 10 EECDHN COc1ccc(N2CC[C@H](NC(=O)C3(N)CC4(CCC4)C3)C2)cc1 ZINC000851640611 1277696876 /nfs/dbraw/zinc/69/68/76/1277696876.db2.gz ZLEKVWAHBSBMEP-AWEZNQCLSA-N 0 3 329.444 2.052 20 10 EECDHN C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCN1CC(C)(C)O ZINC000862336268 1295798590 /nfs/dbraw/zinc/79/85/90/1295798590.db2.gz FHRXZSMVFBOOAA-ZDUSSCGKSA-N 0 3 341.446 2.308 20 10 EECDHN O=C1c2ccccc2C(=O)c2c(O[C@H]3CCNC[C@H]3F)ccc(O)c21 ZINC001218067117 1297560558 /nfs/dbraw/zinc/56/05/58/1297560558.db2.gz QZYGPGICXMUEQD-OCCSQVGLSA-N 0 3 341.338 2.246 20 10 EECDHN O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3CCNC[C@H]3F)cccc21 ZINC001218064243 1297561410 /nfs/dbraw/zinc/56/14/10/1297561410.db2.gz IEADQQUPEZSFTC-OCCSQVGLSA-N 0 3 341.338 2.246 20 10 EECDHN O=C(N1CCCC12CC2)[C@@]12C[C@@H]1CCN2Cc1ccc(O)cc1O ZINC001277190595 1301738636 /nfs/dbraw/zinc/73/86/36/1301738636.db2.gz MBZFWGXRFBDXMV-IFXJQAMLSA-N 0 3 328.412 2.217 20 10 EECDHN COc1cc(CN(C)CCN(C)C(=O)OC(C)(C)C)c(O)cc1O ZINC001231633896 1303872166 /nfs/dbraw/zinc/87/21/66/1303872166.db2.gz CJYHGXHCYMFVEY-UHFFFAOYSA-N 0 3 340.420 2.405 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3ccc(C)cn3)C2)c(O)cc1O ZINC001231639257 1303875571 /nfs/dbraw/zinc/87/55/71/1303875571.db2.gz GZCAQSPYUQUCFD-AWEZNQCLSA-N 0 3 330.384 2.463 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N[C@H](C)c3ncc[nH]3)C2)c([O-])c1 ZINC001277567385 1303920498 /nfs/dbraw/zinc/92/04/98/1303920498.db2.gz GIYYYUXLNZTWEH-ZXYWRSMDSA-N 0 3 340.427 2.123 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N[C@H](C)c3ncc[nH]3)C2)c([O-])c1 ZINC001277567385 1303920501 /nfs/dbraw/zinc/92/05/01/1303920501.db2.gz GIYYYUXLNZTWEH-ZXYWRSMDSA-N 0 3 340.427 2.123 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC2(C[C@H]2C(=O)N(C)C)CC1 ZINC001231852004 1303930982 /nfs/dbraw/zinc/93/09/82/1303930982.db2.gz KPGRZRUFYACCBV-KRWDZBQOSA-N 0 3 345.487 2.452 20 10 EECDHN CN(Cc1cc(O)c(O)cc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233486109 1304478734 /nfs/dbraw/zinc/47/87/34/1304478734.db2.gz YTBIFVAHWGTKDR-GFCCVEGCSA-N 0 3 338.404 2.245 20 10 EECDHN COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]21 ZINC001233760052 1304580405 /nfs/dbraw/zinc/58/04/05/1304580405.db2.gz AUMSZSBTISLXCH-IAZYJMLFSA-N 0 3 331.290 2.142 20 10 EECDHN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]21 ZINC001233760052 1304580407 /nfs/dbraw/zinc/58/04/07/1304580407.db2.gz AUMSZSBTISLXCH-IAZYJMLFSA-N 0 3 331.290 2.142 20 10 EECDHN [O-]c1c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cccc1OC(F)(F)F ZINC001233761019 1304581681 /nfs/dbraw/zinc/58/16/81/1304581681.db2.gz NUTCCFSSSMEIFV-ZDUSSCGKSA-N 0 3 346.349 2.197 20 10 EECDHN [O-]c1c(C[N@H+]2CC[C@H](N3CCOCC3)C2)cccc1OC(F)(F)F ZINC001233761019 1304581687 /nfs/dbraw/zinc/58/16/87/1304581687.db2.gz NUTCCFSSSMEIFV-ZDUSSCGKSA-N 0 3 346.349 2.197 20 10 EECDHN COc1cc([O-])c(CN(C)C[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC001236122660 1305506180 /nfs/dbraw/zinc/50/61/80/1305506180.db2.gz XKJZSLJNTRCUEF-JTQLQIEISA-N 0 3 329.238 2.347 20 10 EECDHN CCOc1ccc(C[N@@H+]2CCCN(c3ncccn3)CC2)c([O-])c1 ZINC001237045159 1305777669 /nfs/dbraw/zinc/77/76/69/1305777669.db2.gz XPFSUWHFEWMEOV-UHFFFAOYSA-N 0 3 328.416 2.293 20 10 EECDHN CCOc1ccc(C[N@H+]2CCCN(c3ncccn3)CC2)c([O-])c1 ZINC001237045159 1305777676 /nfs/dbraw/zinc/77/76/76/1305777676.db2.gz XPFSUWHFEWMEOV-UHFFFAOYSA-N 0 3 328.416 2.293 20 10 EECDHN O=C1NCC[C@]12CC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237118606 1305800219 /nfs/dbraw/zinc/80/02/19/1305800219.db2.gz YYTNIQDLLSBSMH-CQSZACIVSA-N 0 3 330.306 2.003 20 10 EECDHN O=C1NCC[C@]12CC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237118606 1305800233 /nfs/dbraw/zinc/80/02/33/1305800233.db2.gz YYTNIQDLLSBSMH-CQSZACIVSA-N 0 3 330.306 2.003 20 10 EECDHN Cc1cc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)nc(C)n1 ZINC001140745370 1314954213 /nfs/dbraw/zinc/95/42/13/1314954213.db2.gz HHMRBDKJMXKQSH-UHFFFAOYSA-N 0 3 328.416 2.135 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c(OC)c1 ZINC001141029544 1315020640 /nfs/dbraw/zinc/02/06/40/1315020640.db2.gz VGNIRYUZUXDBRM-UHFFFAOYSA-N 0 3 342.386 2.325 20 10 EECDHN Cc1cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c([O-])cc1Br ZINC001250116701 1317215770 /nfs/dbraw/zinc/21/57/70/1317215770.db2.gz HMQMZFMDMYOTTL-SNVBAGLBSA-N 0 3 327.222 2.160 20 10 EECDHN Cc1cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c([O-])cc1Br ZINC001250116701 1317215775 /nfs/dbraw/zinc/21/57/75/1317215775.db2.gz HMQMZFMDMYOTTL-SNVBAGLBSA-N 0 3 327.222 2.160 20 10 EECDHN C[C@](O)(CNCc1ccc2c(c1)CCO2)C(=O)OCc1ccccc1 ZINC001253656895 1317907074 /nfs/dbraw/zinc/90/70/74/1317907074.db2.gz WDIKJMFTDRIBFI-FQEVSTJZSA-N 0 3 341.407 2.206 20 10 EECDHN CCCCS(=O)(=O)NC1CCN(Cc2ccccc2O)CC1 ZINC001253920331 1317959067 /nfs/dbraw/zinc/95/90/67/1317959067.db2.gz DELDNMOMQXERIW-UHFFFAOYSA-N 0 3 326.462 2.076 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]([NH3+])C[C@H](F)C2)c(Br)c1 ZINC001206444305 1323494888 /nfs/dbraw/zinc/49/48/88/1323494888.db2.gz HBQOWLNVGMPYRB-DTWKUNHWSA-N 0 3 333.201 2.034 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)c([O-])c1 ZINC001140952061 1372725828 /nfs/dbraw/zinc/72/58/28/1372725828.db2.gz CSWBYSYFOPHVIE-YQVWRLOYSA-N 0 3 344.455 2.302 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)c([O-])c1 ZINC001140952061 1372725830 /nfs/dbraw/zinc/72/58/30/1372725830.db2.gz CSWBYSYFOPHVIE-YQVWRLOYSA-N 0 3 344.455 2.302 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c([O-])c1 ZINC001140950393 1372726223 /nfs/dbraw/zinc/72/62/23/1372726223.db2.gz RULKLPHTTQZPAO-HDICACEKSA-N 0 3 337.423 2.300 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c([O-])c1 ZINC001140950393 1372726226 /nfs/dbraw/zinc/72/62/26/1372726226.db2.gz RULKLPHTTQZPAO-HDICACEKSA-N 0 3 337.423 2.300 20 10 EECDHN CC[C@@H](C)C(=O)N1CCC[C@@](CO)(NCc2ccc(OC)c(C)c2)C1 ZINC001755081855 1407095499 /nfs/dbraw/zinc/09/54/99/1407095499.db2.gz XHADBXIQELOCCM-FOIQADDNSA-N 0 3 348.487 2.493 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@]2(C)CCCO2)N(C)C)cc1 ZINC000893559303 770510782 /nfs/dbraw/zinc/51/07/82/770510782.db2.gz XTVGVMBTWWPVLI-IEBWSBKVSA-N 0 3 348.491 2.224 20 10 EECDHN CCO[C@@H]1C[C@@](N)(C(=O)NCCCSc2nccs2)C1(C)C ZINC000187778717 775005944 /nfs/dbraw/zinc/00/59/44/775005944.db2.gz VUQGSWRNTJDEQZ-IAQYHMDHSA-N 0 3 343.518 2.274 20 10 EECDHN CS(=O)(=O)N1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816483759 784044462 /nfs/dbraw/zinc/04/44/62/784044462.db2.gz DBESSLUHOOIGQL-UHFFFAOYSA-N 0 3 334.441 2.013 20 10 EECDHN CS(=O)(=O)N1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816483759 784044469 /nfs/dbraw/zinc/04/44/69/784044469.db2.gz DBESSLUHOOIGQL-UHFFFAOYSA-N 0 3 334.441 2.013 20 10 EECDHN CN(C[C@](C)(O)C[N@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000844306345 789003539 /nfs/dbraw/zinc/00/35/39/789003539.db2.gz JDWBBAGPWHLTET-GOSISDBHSA-N 0 3 338.448 2.442 20 10 EECDHN CN(C[C@](C)(O)C[N@@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000844306345 789003553 /nfs/dbraw/zinc/00/35/53/789003553.db2.gz JDWBBAGPWHLTET-GOSISDBHSA-N 0 3 338.448 2.442 20 10 EECDHN COCCNCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166472381 789696409 /nfs/dbraw/zinc/69/64/09/789696409.db2.gz GGQIXYIYKRKANI-UHFFFAOYSA-N 0 3 333.476 2.308 20 10 EECDHN COc1ccc(CNC(=O)CN[C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846142189 790072989 /nfs/dbraw/zinc/07/29/89/790072989.db2.gz QTDMFQIYLGULCT-ZDUSSCGKSA-N 0 3 344.411 2.376 20 10 EECDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206200973 797476040 /nfs/dbraw/zinc/47/60/40/797476040.db2.gz UUAYXFFZAWDHDS-NWDGAFQWSA-N 0 3 347.228 2.425 20 10 EECDHN CCOCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000790760551 808887073 /nfs/dbraw/zinc/88/70/73/808887073.db2.gz NOAOEMSSSFWJDL-OUCADQQQSA-N 0 3 327.396 2.083 20 10 EECDHN Cc1cc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1C ZINC000084961908 237005705 /nfs/dbraw/zinc/00/57/05/237005705.db2.gz AKYLBOHZBSBRMP-UHFFFAOYSA-N 0 3 338.473 2.055 20 10 EECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000296167580 465101912 /nfs/dbraw/zinc/10/19/12/465101912.db2.gz XNIRSTPMUABODB-UKRRQHHQSA-N 0 3 343.379 2.138 20 10 EECDHN CC(C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000046902786 462718246 /nfs/dbraw/zinc/71/82/46/462718246.db2.gz DMBDWOLNBFCWHN-CQSZACIVSA-N 0 3 338.473 2.068 20 10 EECDHN CN(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000067044690 462960020 /nfs/dbraw/zinc/96/00/20/462960020.db2.gz KXPKUAGJIATONK-QPGLYAHGSA-N 0 3 343.471 2.089 20 10 EECDHN CCOc1cccc(C[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000277007295 463839495 /nfs/dbraw/zinc/83/94/95/463839495.db2.gz KQTFFIDHJWOBRJ-UHFFFAOYSA-N 0 3 328.416 2.340 20 10 EECDHN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000185953173 463911392 /nfs/dbraw/zinc/91/13/92/463911392.db2.gz HRTCJIYRMDRLOA-ZDUSSCGKSA-N 0 3 344.411 2.490 20 10 EECDHN CCOc1cccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000269898864 464124498 /nfs/dbraw/zinc/12/44/98/464124498.db2.gz FESZZQPMSRTUJC-IRXDYDNUSA-N 0 3 331.412 2.365 20 10 EECDHN CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(C)cc1[O-] ZINC000280036773 464182979 /nfs/dbraw/zinc/18/29/79/464182979.db2.gz INSRHVWXWSOZSN-HOTGVXAUSA-N 0 3 328.416 2.280 20 10 EECDHN COC(=O)/C=C/c1ccc(N2CC[C@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272223778 464525323 /nfs/dbraw/zinc/52/53/23/464525323.db2.gz SLJGWXLQGJPRKH-JUALTMEFSA-N 0 3 345.399 2.311 20 10 EECDHN CCC[C@]1(NCC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000285531188 464599369 /nfs/dbraw/zinc/59/93/69/464599369.db2.gz KXKQEUBPFIUOBZ-IBGZPJMESA-N 0 3 333.476 2.260 20 10 EECDHN CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccccc1[O-] ZINC000285728813 464673338 /nfs/dbraw/zinc/67/33/38/464673338.db2.gz QPYYCDPGQMXROP-CZUORRHYSA-N 0 3 338.473 2.390 20 10 EECDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000295077142 464697804 /nfs/dbraw/zinc/69/78/04/464697804.db2.gz PVEIQOJZUPQDGB-INIZCTEOSA-N 0 3 327.808 2.366 20 10 EECDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000295077142 464697812 /nfs/dbraw/zinc/69/78/12/464697812.db2.gz PVEIQOJZUPQDGB-INIZCTEOSA-N 0 3 327.808 2.366 20 10 EECDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cc1[O-] ZINC000273362552 464713178 /nfs/dbraw/zinc/71/31/78/464713178.db2.gz DFHXPIQPMKNNJD-WCQYABFASA-N 0 3 343.265 2.262 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000273601765 464722080 /nfs/dbraw/zinc/72/20/80/464722080.db2.gz SBUYLJBXMFTERG-DOTOQJQBSA-N 0 3 333.476 2.294 20 10 EECDHN CC(C)OCCN1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000176617048 464811770 /nfs/dbraw/zinc/81/17/70/464811770.db2.gz ZZSHMLXHGZLAOM-UHFFFAOYSA-N 0 3 349.475 2.423 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@H](C)COC ZINC000282484972 464835256 /nfs/dbraw/zinc/83/52/56/464835256.db2.gz PESOCWOCEUXXCZ-NVXWUHKLSA-N 0 3 325.449 2.407 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO[C@H](C)COC ZINC000282484972 464835258 /nfs/dbraw/zinc/83/52/58/464835258.db2.gz PESOCWOCEUXXCZ-NVXWUHKLSA-N 0 3 325.449 2.407 20 10 EECDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OCC(N)=O ZINC000183463373 464868176 /nfs/dbraw/zinc/86/81/76/464868176.db2.gz RZRJIZPRXLIURV-GFCCVEGCSA-N 0 3 330.384 2.116 20 10 EECDHN C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccccc1[O-] ZINC000183622925 464888603 /nfs/dbraw/zinc/88/86/03/464888603.db2.gz LOAUUDFYRSCMBT-GFCCVEGCSA-N 0 3 340.470 2.425 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000359977596 465513788 /nfs/dbraw/zinc/51/37/88/465513788.db2.gz XHEMDQXYSDAPMB-ZDUSSCGKSA-N 0 3 336.823 2.156 20 10 EECDHN CCn1nncc1CNCc1cc(Br)cc(C)c1O ZINC000529637526 467889240 /nfs/dbraw/zinc/88/92/40/467889240.db2.gz CMSRWQFGDUBZFJ-UHFFFAOYSA-N 0 3 325.210 2.364 20 10 EECDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2c(C)nn(C)c2C)c1 ZINC000775368525 577436068 /nfs/dbraw/zinc/43/60/68/577436068.db2.gz ALIBEQVSLODCME-JTQLQIEISA-N 0 3 332.404 2.040 20 10 EECDHN CCOC(=O)CN(Cc1ccc(N2CCN(C)CC2)cc1)C(C)C ZINC000775658408 577441947 /nfs/dbraw/zinc/44/19/47/577441947.db2.gz OFURJKVSAUDCQZ-UHFFFAOYSA-N 0 3 333.476 2.212 20 10 EECDHN CN1CCN(c2ccc(CN3CCS[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736285 577444247 /nfs/dbraw/zinc/44/42/47/577444247.db2.gz BKBBUJZUIMNAMC-RBUKOAKNSA-N 0 3 347.528 2.145 20 10 EECDHN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775831456 577446813 /nfs/dbraw/zinc/44/68/13/577446813.db2.gz SFYJIAAIHRDDGN-YOEHRIQHSA-N 0 3 349.475 2.107 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@H](CCCN3C3CC3)C1)[C@H](O)CO2 ZINC000768462932 577556310 /nfs/dbraw/zinc/55/63/10/577556310.db2.gz OXCJZSXEOMLWJD-OMWUSAIZSA-N 0 3 344.455 2.267 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3[C@H](CCCN3C3CC3)C1)[C@H](O)CO2 ZINC000768462932 577556311 /nfs/dbraw/zinc/55/63/11/577556311.db2.gz OXCJZSXEOMLWJD-OMWUSAIZSA-N 0 3 344.455 2.267 20 10 EECDHN CCOc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c([O-])c1 ZINC000769436793 577577880 /nfs/dbraw/zinc/57/78/80/577577880.db2.gz YQIQQLAYYPBYNL-SFHVURJKSA-N 0 3 345.443 2.470 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756736191 577849583 /nfs/dbraw/zinc/84/95/83/577849583.db2.gz LZVYHUUSUBJASY-ZYHUDNBSSA-N 0 3 327.421 2.494 20 10 EECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@@H](C)c3c1c([O-])ccc3F)CC2 ZINC000756756091 577849841 /nfs/dbraw/zinc/84/98/41/577849841.db2.gz DXROLWIMCWYNFL-NQBHXWOUSA-N 0 3 346.406 2.422 20 10 EECDHN Cc1cc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891243357 676234580 /nfs/dbraw/zinc/23/45/80/676234580.db2.gz MZQZELCQXVJDGL-SFHVURJKSA-N 0 3 344.459 2.401 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cn2)N(C)C)cc1 ZINC000891249275 676243631 /nfs/dbraw/zinc/24/36/31/676243631.db2.gz QCXCJTKBTXQLML-QGZVFWFLSA-N 0 3 330.407 2.319 20 10 EECDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccnn1C ZINC000891250548 676245464 /nfs/dbraw/zinc/24/54/64/676245464.db2.gz WUXAXDAEVONJPS-KDOFPFPSSA-N 0 3 343.475 2.009 20 10 EECDHN Cc1cccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252939 676249123 /nfs/dbraw/zinc/24/91/23/676249123.db2.gz OONITTAXGMNRGL-KRWDZBQOSA-N 0 3 326.444 2.489 20 10 EECDHN COc1cc(C)cc(CNCc2ccc3c(c2)C(=O)NCC3)c1O ZINC000894455414 682904842 /nfs/dbraw/zinc/90/48/42/682904842.db2.gz BBSRSOWOUZSGQS-UHFFFAOYSA-N 0 3 326.396 2.285 20 10 EECDHN CN(C)c1ccc([C@H](CNCc2cn(C(C)(C)C)nn2)N(C)C)cc1 ZINC000898449879 693320161 /nfs/dbraw/zinc/32/01/61/693320161.db2.gz KWIPAHCXAMIEHN-SFHVURJKSA-N 0 3 344.507 2.492 20 10 EECDHN C[C@@H]1CCOCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899096095 693600588 /nfs/dbraw/zinc/60/05/88/693600588.db2.gz PNTDIXNAINKKQY-QAPCUYQASA-N 0 3 348.491 2.176 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N[C@]2(C)CCCOC2)N(C)C)cc1 ZINC000899104972 693607711 /nfs/dbraw/zinc/60/77/11/693607711.db2.gz UGSSSSSBBLKTMY-PKOBYXMFSA-N 0 3 348.491 2.224 20 10 EECDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841710554 1187439800 /nfs/dbraw/zinc/43/98/00/1187439800.db2.gz YRDSELAMBTVGAM-LSDHHAIUSA-N 0 3 348.516 2.132 20 10 EECDHN CC[C@@H](CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)OC ZINC000842157352 1188550368 /nfs/dbraw/zinc/55/03/68/1188550368.db2.gz QODNWPSAAJYNLO-HNNXBMFYSA-N 0 3 338.448 2.259 20 10 EECDHN O=C1N(CC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618239 1190933303 /nfs/dbraw/zinc/93/33/03/1190933303.db2.gz DGVVDMYZEFEOBK-OAHLLOKOSA-N 0 3 328.334 2.379 20 10 EECDHN O=C1N(CC(F)(F)F)CC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618239 1190933306 /nfs/dbraw/zinc/93/33/06/1190933306.db2.gz DGVVDMYZEFEOBK-OAHLLOKOSA-N 0 3 328.334 2.379 20 10 EECDHN CC[C@@H](C)N1CC[C@@]2(CCN(Cc3cc(O)c(O)c(OC)c3)C2)C1=O ZINC001272987415 1194295624 /nfs/dbraw/zinc/29/56/24/1194295624.db2.gz BFZIBJWZADCGIV-BFUOFWGJSA-N 0 3 348.443 2.329 20 10 EECDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(CCCF)C1 ZINC001033700061 1195091975 /nfs/dbraw/zinc/09/19/75/1195091975.db2.gz TYXLRLDPMSZICP-AWEZNQCLSA-N 0 3 335.383 2.355 20 10 EECDHN COc1ccc(N2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC000863927349 1197926524 /nfs/dbraw/zinc/92/65/24/1197926524.db2.gz VZRJHLDJHVNXBC-OAHLLOKOSA-N 0 3 331.460 2.122 20 10 EECDHN C[C@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000879650230 1201192944 /nfs/dbraw/zinc/19/29/44/1201192944.db2.gz QLOUYHRWQXSFPC-UGSOOPFHSA-N 0 3 336.432 2.415 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c([O-])c1 ZINC000883370452 1202054836 /nfs/dbraw/zinc/05/48/36/1202054836.db2.gz LNZXQWVYMXQRKW-ZWKOTPCHSA-N 0 3 347.503 2.148 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001274303479 1204991345 /nfs/dbraw/zinc/99/13/45/1204991345.db2.gz JWHQIKAWFFXZAN-LJQANCHMSA-N 0 3 341.411 2.313 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCN(Cc3cnoc3)C2=O)C1 ZINC001274303479 1204991348 /nfs/dbraw/zinc/99/13/48/1204991348.db2.gz JWHQIKAWFFXZAN-LJQANCHMSA-N 0 3 341.411 2.313 20 10 EECDHN CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[O-] ZINC001275266916 1205294312 /nfs/dbraw/zinc/29/43/12/1205294312.db2.gz FQLBSNZZFFNQIH-CALCHBBNSA-N 0 3 326.444 2.457 20 10 EECDHN CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[O-] ZINC001275266916 1205294314 /nfs/dbraw/zinc/29/43/14/1205294314.db2.gz FQLBSNZZFFNQIH-CALCHBBNSA-N 0 3 326.444 2.457 20 10 EECDHN Oc1ccccc1CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000778994889 1208430709 /nfs/dbraw/zinc/43/07/09/1208430709.db2.gz JRXKZBCCVLESAP-UHFFFAOYSA-N 0 3 340.423 2.481 20 10 EECDHN C[C@@H]1CN(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000192994783 1210683573 /nfs/dbraw/zinc/68/35/73/1210683573.db2.gz UMTRSUQFOUIYOS-AEFFLSMTSA-N 0 3 334.460 2.094 20 10 EECDHN C[C@@H]1CN(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCO1 ZINC000192994783 1210683575 /nfs/dbraw/zinc/68/35/75/1210683575.db2.gz UMTRSUQFOUIYOS-AEFFLSMTSA-N 0 3 334.460 2.094 20 10 EECDHN Cc1cc(C)c(CN2C[C@@H]3OCCN(C(=O)NC(C)C)[C@H]3C2)c(O)c1 ZINC001276364794 1216919354 /nfs/dbraw/zinc/91/93/54/1216919354.db2.gz FNYZNFKTVUECIJ-WMZOPIPTSA-N 0 3 347.459 2.012 20 10 EECDHN COc1cc(Br)cc(CN2CC[C@H]([C@@H](C)O)C2)c1O ZINC000305868298 1217386441 /nfs/dbraw/zinc/38/64/41/1217386441.db2.gz NPWPDNJNOMVFID-ZJUUUORDSA-N 0 3 330.222 2.366 20 10 EECDHN C[C@@H](F)CCN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016380931 1226416103 /nfs/dbraw/zinc/41/61/03/1226416103.db2.gz GDZULXCQMZZKMK-BXUZGUMPSA-N 0 3 335.383 2.401 20 10 EECDHN CN(C)c1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1F ZINC000827901917 1248966047 /nfs/dbraw/zinc/96/60/47/1248966047.db2.gz WLWMKZMJUZVLGO-INIZCTEOSA-N 0 3 327.403 2.395 20 10 EECDHN CC=CC[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185310 1234073191 /nfs/dbraw/zinc/07/31/91/1234073191.db2.gz JVCVITMHKVMXTL-SGUAIBKKSA-N 0 3 344.459 2.242 20 10 EECDHN COCCO[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000800849582 1234672452 /nfs/dbraw/zinc/67/24/52/1234672452.db2.gz FPTSOYUVVMRBSW-CQSZACIVSA-N 0 3 325.405 2.037 20 10 EECDHN CCCCN(CC(=O)N(C)Cc1cnn(C)c1)Cc1ccccc1O ZINC000801596516 1235883401 /nfs/dbraw/zinc/88/34/01/1235883401.db2.gz CVRPOSGYTSLTJM-UHFFFAOYSA-N 0 3 344.459 2.386 20 10 EECDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903233341 1240059828 /nfs/dbraw/zinc/05/98/28/1240059828.db2.gz GZBVCPDDLMQLSA-KFWWJZLASA-N 0 3 338.473 2.077 20 10 EECDHN COc1ccc(N2C[C@H](NCc3c(O)cccc3OC)CC2=O)cc1 ZINC000850359211 1277197052 /nfs/dbraw/zinc/19/70/52/1277197052.db2.gz ADEXUYIJZXVZIT-CYBMUJFWSA-N 0 3 342.395 2.305 20 10 EECDHN COc1ccc(N2C[C@H]([NH2+]Cc3c([O-])cccc3OC)CC2=O)cc1 ZINC000850359211 1277197055 /nfs/dbraw/zinc/19/70/55/1277197055.db2.gz ADEXUYIJZXVZIT-CYBMUJFWSA-N 0 3 342.395 2.305 20 10 EECDHN Cc1cc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218148117 1297583479 /nfs/dbraw/zinc/58/34/79/1297583479.db2.gz TYACJSTZHVINDZ-RBLCTZAASA-N 0 3 349.386 2.463 20 10 EECDHN COc1cc(C)c(CN2CC3(CN(Cc4ccc[nH]4)C3)C2)c(O)c1 ZINC001276807091 1298110488 /nfs/dbraw/zinc/11/04/88/1298110488.db2.gz YWZJPEWAMDWQAV-UHFFFAOYSA-N 0 3 327.428 2.355 20 10 EECDHN O=C(N1CC(F)(C2CC2)C1)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277197110 1301770571 /nfs/dbraw/zinc/77/05/71/1301770571.db2.gz WOENJBYZUGUXTD-UHFFFAOYSA-N 0 3 346.402 2.071 20 10 EECDHN C[C@H](NC(=O)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2)c1ncc[nH]1 ZINC001277442239 1303036031 /nfs/dbraw/zinc/03/60/31/1303036031.db2.gz UTOHYYSUJZQRQZ-KAMYHZANSA-N 0 3 326.400 2.005 20 10 EECDHN O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2)N1CCCCO1 ZINC001277446607 1303078326 /nfs/dbraw/zinc/07/83/26/1303078326.db2.gz RKVWQIKQGWHGOT-ALXJQNPVSA-N 0 3 330.428 2.404 20 10 EECDHN O=C([C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2)N1CCCCO1 ZINC001277446607 1303078334 /nfs/dbraw/zinc/07/83/34/1303078334.db2.gz RKVWQIKQGWHGOT-ALXJQNPVSA-N 0 3 330.428 2.404 20 10 EECDHN Cc1noc(C2(C)CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)n1 ZINC000781149569 1303747151 /nfs/dbraw/zinc/74/71/51/1303747151.db2.gz NFBMLLIAPOWJII-HNNXBMFYSA-N 0 3 345.399 2.063 20 10 EECDHN Cc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c1O ZINC001231591361 1303857871 /nfs/dbraw/zinc/85/78/71/1303857871.db2.gz BJVKAKWLJSVJKW-HNNXBMFYSA-N 0 3 336.432 2.114 20 10 EECDHN Cc1cccc(CN2CCN(CCNC(=O)OC(C)(C)C)CC2)c1O ZINC001231591093 1303858245 /nfs/dbraw/zinc/85/82/45/1303858245.db2.gz SHQOZYKCIQKLQH-UHFFFAOYSA-N 0 3 349.475 2.343 20 10 EECDHN Cc1cc(Br)cc(CN2CC[C@@](C)(CO)[C@@H](O)C2)c1O ZINC001233106502 1304361733 /nfs/dbraw/zinc/36/17/33/1304361733.db2.gz IHIFWWMKLHNMMJ-ZFWWWQNUSA-N 0 3 344.249 2.028 20 10 EECDHN COc1cc([O-])c(CN2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC001233139880 1304373805 /nfs/dbraw/zinc/37/38/05/1304373805.db2.gz SOSGEMAWSUPWPS-LBPRGKRZSA-N 0 3 341.249 2.443 20 10 EECDHN COc1cc([O-])c(CN2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC001233139880 1304373811 /nfs/dbraw/zinc/37/38/11/1304373811.db2.gz SOSGEMAWSUPWPS-LBPRGKRZSA-N 0 3 341.249 2.443 20 10 EECDHN O=C1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]2CCCN12 ZINC001233776391 1304588583 /nfs/dbraw/zinc/58/85/83/1304588583.db2.gz QWIKFGPZWVKPQE-GFCCVEGCSA-N 0 3 344.333 2.488 20 10 EECDHN O=C1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]2CCCN12 ZINC001233776391 1304588586 /nfs/dbraw/zinc/58/85/86/1304588586.db2.gz QWIKFGPZWVKPQE-GFCCVEGCSA-N 0 3 344.333 2.488 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc1Br ZINC001236579516 1305600075 /nfs/dbraw/zinc/60/00/75/1305600075.db2.gz MQXDMSMJKOFYMM-NXEZZACHSA-N 0 3 329.238 2.346 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3nccc(C)n3)C2)cc1OC ZINC001236755172 1305659877 /nfs/dbraw/zinc/65/98/77/1305659877.db2.gz ZTIMWWMVXMOUGP-AWEZNQCLSA-N 0 3 345.399 2.161 20 10 EECDHN O=C1NCC[C@@]12CCC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237118625 1305802497 /nfs/dbraw/zinc/80/24/97/1305802497.db2.gz ZISMXVQIILEQQU-OAHLLOKOSA-N 0 3 344.333 2.393 20 10 EECDHN O=C1NCC[C@@]12CCC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237118625 1305802512 /nfs/dbraw/zinc/80/25/12/1305802512.db2.gz ZISMXVQIILEQQU-OAHLLOKOSA-N 0 3 344.333 2.393 20 10 EECDHN Cc1cccc(O)c1CN1Cc2ccnn2C[C@H](C(=O)NC(C)C)C1 ZINC001237486278 1305954706 /nfs/dbraw/zinc/95/47/06/1305954706.db2.gz PTLIIOMFVMPVDN-OAHLLOKOSA-N 0 3 342.443 2.054 20 10 EECDHN CCc1ncoc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120704385 1309701773 /nfs/dbraw/zinc/70/17/73/1309701773.db2.gz XMTLYNRYFNKQQF-INIZCTEOSA-N 0 3 330.432 2.336 20 10 EECDHN CCOCCN(CCOCC)Cc1ccc(N2CCOCC2)cc1 ZINC001138498969 1314622181 /nfs/dbraw/zinc/62/21/81/1314622181.db2.gz PRJJMISBSZXMGI-UHFFFAOYSA-N 0 3 336.476 2.398 20 10 EECDHN CC(=O)c1ccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000832300267 1314670059 /nfs/dbraw/zinc/67/00/59/1314670059.db2.gz QIMWCHWDSIPWHJ-GOSISDBHSA-N 0 3 325.412 2.385 20 10 EECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@]1(N3CCOCC3)CCSC1)CC2 ZINC000834533870 1314848006 /nfs/dbraw/zinc/84/80/06/1314848006.db2.gz AZCHRHAFYJXWJW-MAUKXSAKSA-N 0 3 334.485 2.177 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c(OC)c1 ZINC001141027418 1315019620 /nfs/dbraw/zinc/01/96/20/1315019620.db2.gz ZBFNNTGEZLWHAR-LJQANCHMSA-N 0 3 348.443 2.386 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c(OC)c1 ZINC001141027418 1315019625 /nfs/dbraw/zinc/01/96/25/1315019625.db2.gz ZBFNNTGEZLWHAR-LJQANCHMSA-N 0 3 348.443 2.386 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@](C)(CO)[C@@H](O)C3)ccc2O1 ZINC001249224010 1317027543 /nfs/dbraw/zinc/02/75/43/1317027543.db2.gz QTTKOQWVUFZAJI-QFBILLFUSA-N 0 3 333.428 2.142 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@](C)(CO)[C@@H](O)C3)ccc2O1 ZINC001249224010 1317027551 /nfs/dbraw/zinc/02/75/51/1317027551.db2.gz QTTKOQWVUFZAJI-QFBILLFUSA-N 0 3 333.428 2.142 20 10 EECDHN COc1ccc(N2CCN(CCCNc3ccc(N)cn3)CC2)cc1 ZINC001156256830 1317939484 /nfs/dbraw/zinc/93/94/84/1317939484.db2.gz IYZBTRGXPBLBJZ-UHFFFAOYSA-N 0 3 341.459 2.297 20 10 EECDHN COc1ccc(O)c(CN2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1 ZINC001203675075 1321938042 /nfs/dbraw/zinc/93/80/42/1321938042.db2.gz KYMLMKFCBYUQAT-XJKSGUPXSA-N 0 3 342.395 2.340 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC001308807085 1331604846 /nfs/dbraw/zinc/60/48/46/1331604846.db2.gz OHNORDFAEKEYHF-FQEVSTJZSA-N 0 3 340.423 2.338 20 10 EECDHN COc1cc(C)c(C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC001308807085 1331604851 /nfs/dbraw/zinc/60/48/51/1331604851.db2.gz OHNORDFAEKEYHF-FQEVSTJZSA-N 0 3 340.423 2.338 20 10 EECDHN CO[C@H](CNCc1ccc(N2CCN(C)CC2)c(F)c1)C(F)(F)F ZINC001318567485 1332561678 /nfs/dbraw/zinc/56/16/78/1332561678.db2.gz YTQYISSMJRWQNO-OAHLLOKOSA-N 0 3 349.372 2.244 20 10 EECDHN CNC(=O)C[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834899196 1372574876 /nfs/dbraw/zinc/57/48/76/1372574876.db2.gz JJGZCJFQULMGJX-OLZOCXBDSA-N 0 3 339.867 2.352 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3cccnc3)C2)c(OC)c1 ZINC001141028286 1372742825 /nfs/dbraw/zinc/74/28/25/1372742825.db2.gz JNOKPLSGRCFYHL-AWEZNQCLSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(OC)c1 ZINC001141028286 1372742832 /nfs/dbraw/zinc/74/28/32/1372742832.db2.gz JNOKPLSGRCFYHL-AWEZNQCLSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c(OC)c1 ZINC001141028286 1372742834 /nfs/dbraw/zinc/74/28/34/1372742834.db2.gz JNOKPLSGRCFYHL-AWEZNQCLSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc(O)c(CN2CCC(c3noc(C)n3)CC2)c(OC)c1 ZINC001141028227 1372742855 /nfs/dbraw/zinc/74/28/55/1372742855.db2.gz GQZBTVRXWIYANG-UHFFFAOYSA-N 0 3 333.388 2.480 20 10 EECDHN Cc1cnc(OC2CCN(Cc3cc4c(cc3O)OCO4)CC2)nc1 ZINC000848494814 1373154914 /nfs/dbraw/zinc/15/49/14/1373154914.db2.gz SKILFTNDUXCNPE-UHFFFAOYSA-N 0 3 343.383 2.263 20 10 EECDHN Nc1ccc(CCN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000817956771 785102996 /nfs/dbraw/zinc/10/29/96/785102996.db2.gz CQEPNEHVKHJGNU-INIZCTEOSA-N 0 3 334.416 2.459 20 10 EECDHN CCOc1cccc(CNCc2cccc(S(C)(=O)=O)c2)c1O ZINC000824790111 788319749 /nfs/dbraw/zinc/31/97/49/788319749.db2.gz MMUFYZFLSAOLDN-UHFFFAOYSA-N 0 3 335.425 2.484 20 10 EECDHN CN1CCN(Cc2cc3c(cc2O)OCO3)[C@H](Cc2ccccc2)C1 ZINC000844742853 789343458 /nfs/dbraw/zinc/34/34/58/789343458.db2.gz QGBJCKFXEFZSAX-QGZVFWFLSA-N 0 3 340.423 2.480 20 10 EECDHN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790989401 809014870 /nfs/dbraw/zinc/01/48/70/809014870.db2.gz CRWCANSQWIZNAE-GFCCVEGCSA-N 0 3 329.847 2.300 20 10 EECDHN COc1ccc(O)c(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826210155 947612747 /nfs/dbraw/zinc/61/27/47/947612747.db2.gz GXFWJUCJUOIISU-LLVKDONJSA-N 0 3 325.372 2.432 20 10 EECDHN C[C@H]1OCC[C@@]12CN(Cc1ccc(N3CCOCC3)cc1)C[C@@H](C)O2 ZINC000366150661 238243690 /nfs/dbraw/zinc/24/36/90/238243690.db2.gz DYHPNVFZGHZQBH-MBOZVWFJSA-N 0 3 346.471 2.292 20 10 EECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000296167576 465101251 /nfs/dbraw/zinc/10/12/51/465101251.db2.gz XNIRSTPMUABODB-HIFRSBDPSA-N 0 3 343.379 2.138 20 10 EECDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1C1CC1 ZINC000126124423 463606574 /nfs/dbraw/zinc/60/65/74/463606574.db2.gz RATUKIIQAXJTQX-WBVHZDCISA-N 0 3 340.471 2.487 20 10 EECDHN CC(C)OCCOC[C@H](O)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271128392 464282938 /nfs/dbraw/zinc/28/29/38/464282938.db2.gz ISJHUMMIEPIJQF-MRXNPFEDSA-N 0 3 342.455 2.126 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(CCCC3)C1)cc2=O ZINC000173829023 464319620 /nfs/dbraw/zinc/31/96/20/464319620.db2.gz RTSPBFFKDTZSFH-UHFFFAOYSA-N 0 3 344.415 2.378 20 10 EECDHN COc1cc(O)c(CN2CCC(CC(=O)N(C)C)CC2)cc1OC ZINC000180564696 464337823 /nfs/dbraw/zinc/33/78/23/464337823.db2.gz OTARFOKZLVRFFV-UHFFFAOYSA-N 0 3 336.432 2.100 20 10 EECDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000281431807 464452804 /nfs/dbraw/zinc/45/28/04/464452804.db2.gz ZRMLYQCGTKFMML-SFHVURJKSA-N 0 3 337.416 2.193 20 10 EECDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000281431807 464452805 /nfs/dbraw/zinc/45/28/05/464452805.db2.gz ZRMLYQCGTKFMML-SFHVURJKSA-N 0 3 337.416 2.193 20 10 EECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c([O-])c1 ZINC000294400781 464490067 /nfs/dbraw/zinc/49/00/67/464490067.db2.gz SMBYMDOMZZZZBS-KBPBESRZSA-N 0 3 342.443 2.218 20 10 EECDHN COc1ccc(CNC(=O)CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182459324 464660831 /nfs/dbraw/zinc/66/08/31/464660831.db2.gz WLEMJGNSSPXJLD-ZDUSSCGKSA-N 0 3 344.411 2.376 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H](C)C(=O)NCCF)c1[O-] ZINC000282731284 464925081 /nfs/dbraw/zinc/92/50/81/464925081.db2.gz MHEZKLHCJPOUJI-SECBINFHSA-N 0 3 333.201 2.027 20 10 EECDHN C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367411687 466321289 /nfs/dbraw/zinc/32/12/89/466321289.db2.gz BKBIXTFFOCISBH-KSSFIOAISA-N 0 3 331.460 2.183 20 10 EECDHN CCOc1ccc(C[NH2+]Cc2cccc(OCC(=O)NC)c2)c([O-])c1 ZINC000725846793 576066073 /nfs/dbraw/zinc/06/60/73/576066073.db2.gz NTOFEQKFZDTNCA-UHFFFAOYSA-N 0 3 344.411 2.206 20 10 EECDHN CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000773328845 577334046 /nfs/dbraw/zinc/33/40/46/577334046.db2.gz LRKLLMDBCQEKRR-QFBILLFUSA-N 0 3 349.427 2.229 20 10 EECDHN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000773328845 577334048 /nfs/dbraw/zinc/33/40/48/577334048.db2.gz LRKLLMDBCQEKRR-QFBILLFUSA-N 0 3 349.427 2.229 20 10 EECDHN COCCOCCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765321966 577499241 /nfs/dbraw/zinc/49/92/41/577499241.db2.gz AWYXIHZMGHRVKD-AWEZNQCLSA-N 0 3 342.867 2.490 20 10 EECDHN CCN(CC)c1ccc(CN[C@@]2(CC(=O)OC)CCOC2)cc1F ZINC000766467386 577519986 /nfs/dbraw/zinc/51/99/86/577519986.db2.gz IXJSVGZVXQZFTO-GOSISDBHSA-N 0 3 338.423 2.484 20 10 EECDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccnc1 ZINC000771387422 577614895 /nfs/dbraw/zinc/61/48/95/577614895.db2.gz DNADWOXKQONPBW-HNNXBMFYSA-N 0 3 345.468 2.167 20 10 EECDHN C[C@H](NC[C@H]1CC2(CC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000763734800 577725500 /nfs/dbraw/zinc/72/55/00/577725500.db2.gz NVFNYFBXHPIMRH-WMLDXEAASA-N 0 3 330.428 2.270 20 10 EECDHN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000756434624 577844087 /nfs/dbraw/zinc/84/40/87/577844087.db2.gz ODJNMZIAULMRNL-CYBMUJFWSA-N 0 3 344.411 2.376 20 10 EECDHN CNC(=O)COc1cccc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000756434624 577844088 /nfs/dbraw/zinc/84/40/88/577844088.db2.gz ODJNMZIAULMRNL-CYBMUJFWSA-N 0 3 344.411 2.376 20 10 EECDHN CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000749971304 577985012 /nfs/dbraw/zinc/98/50/12/577985012.db2.gz IAUIIRCXAHECJY-AWEZNQCLSA-N 0 3 334.441 2.059 20 10 EECDHN CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000749971304 577985013 /nfs/dbraw/zinc/98/50/13/577985013.db2.gz IAUIIRCXAHECJY-AWEZNQCLSA-N 0 3 334.441 2.059 20 10 EECDHN CCc1nocc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246411 676238566 /nfs/dbraw/zinc/23/85/66/676238566.db2.gz NMEGNIZYHCBZMS-KRWDZBQOSA-N 0 3 330.432 2.336 20 10 EECDHN CCOc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC000891246306 676240358 /nfs/dbraw/zinc/24/03/58/676240358.db2.gz ABWJTCFNPFILHT-MRXNPFEDSA-N 0 3 346.431 2.172 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CCCCO2)N(C)C)cc1 ZINC000891248489 676242706 /nfs/dbraw/zinc/24/27/06/676242706.db2.gz NHENMXLQMZFXJO-MJGOQNOKSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C)c2Cl)N(C)C)cc1 ZINC000891249773 676244586 /nfs/dbraw/zinc/24/45/86/676244586.db2.gz SNUWWTBDCYHLMR-OAHLLOKOSA-N 0 3 349.866 2.172 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnc(F)c2F)N(C)C)cc1 ZINC000891248690 676244853 /nfs/dbraw/zinc/24/48/53/676244853.db2.gz MZXCEPMDQOAUMF-HNNXBMFYSA-N 0 3 348.397 2.459 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CSC(F)F)N(C)C)cc1 ZINC000891250738 676246899 /nfs/dbraw/zinc/24/68/99/676246899.db2.gz ZPCOUZUCJPUENJ-ZDUSSCGKSA-N 0 3 331.432 2.427 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cccnc2)N(C)C)cc1 ZINC000891253362 676248847 /nfs/dbraw/zinc/24/88/47/676248847.db2.gz RQXKKBJUNZEAGH-GOSISDBHSA-N 0 3 326.444 2.109 20 10 EECDHN COC(=O)COc1ccccc1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000894184766 681195715 /nfs/dbraw/zinc/19/57/15/681195715.db2.gz GGWKWKCTCDQESE-UHFFFAOYSA-N 0 3 331.368 2.242 20 10 EECDHN COC(=O)COc1ccccc1CNCc1ccc(OC)cc1O ZINC000894184766 681195719 /nfs/dbraw/zinc/19/57/19/681195719.db2.gz GGWKWKCTCDQESE-UHFFFAOYSA-N 0 3 331.368 2.242 20 10 EECDHN COCCO[C@H]1CCCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000894263363 681739209 /nfs/dbraw/zinc/73/92/09/681739209.db2.gz FPUGNUWHZIUXDZ-AWEZNQCLSA-N 0 3 325.405 2.037 20 10 EECDHN CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000176985328 682120518 /nfs/dbraw/zinc/12/05/18/682120518.db2.gz ZNLJMTNGWONCPO-LBPRGKRZSA-N 0 3 344.452 2.386 20 10 EECDHN COc1cc(C)cc(CNCc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000894344327 682562711 /nfs/dbraw/zinc/56/27/11/682562711.db2.gz PYSDDXYLKGBCMF-UHFFFAOYSA-N 0 3 347.436 2.329 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCCOCC2CC2)N(C)C)cc1 ZINC000892895257 683178067 /nfs/dbraw/zinc/17/80/67/683178067.db2.gz PCCFZHLIZDIAQE-SFHVURJKSA-N 0 3 348.491 2.081 20 10 EECDHN COc1ccc(CN[C@H]2Cc3ccccc3NC2=O)c(O)c1OC ZINC000895622756 684667342 /nfs/dbraw/zinc/66/73/42/684667342.db2.gz FWONUAHTGHYJKO-AWEZNQCLSA-N 0 3 328.368 2.062 20 10 EECDHN COCc1cc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000898449448 693319232 /nfs/dbraw/zinc/31/92/32/693319232.db2.gz GCPCBFYHEIAGFJ-SFHVURJKSA-N 0 3 332.448 2.280 20 10 EECDHN CO[C@H](C)CN1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700309 1195092459 /nfs/dbraw/zinc/09/24/59/1195092459.db2.gz XCEMIYLXKOTLGP-IUODEOHRSA-N 0 3 347.419 2.030 20 10 EECDHN O=C1N(CC(F)F)CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273285068 1197953948 /nfs/dbraw/zinc/95/39/48/1197953948.db2.gz NHSPNNIHDJHXSF-MRXNPFEDSA-N 0 3 328.334 2.221 20 10 EECDHN O=C1N(CC(F)F)CC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273285068 1197953950 /nfs/dbraw/zinc/95/39/50/1197953950.db2.gz NHSPNNIHDJHXSF-MRXNPFEDSA-N 0 3 328.334 2.221 20 10 EECDHN CN(C)c1ccc(CN(C)Cc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000810117219 1199298336 /nfs/dbraw/zinc/29/83/36/1199298336.db2.gz LDTPMIKQVKQXDX-UHFFFAOYSA-N 0 3 333.457 2.032 20 10 EECDHN CCn1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1=O ZINC000877484482 1199944633 /nfs/dbraw/zinc/94/46/33/1199944633.db2.gz HSKHYPWVBDEZCH-UHFFFAOYSA-N 0 3 341.455 2.119 20 10 EECDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H](O)C(F)(F)F ZINC000877693926 1200035277 /nfs/dbraw/zinc/03/52/77/1200035277.db2.gz UXYSKNGHKPPNQD-ABAIWWIYSA-N 0 3 332.366 2.049 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000879648574 1201193968 /nfs/dbraw/zinc/19/39/68/1201193968.db2.gz UNAIAQWDYYXWSX-GFCCVEGCSA-N 0 3 328.368 2.088 20 10 EECDHN Cc1ccncc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324724 1202492492 /nfs/dbraw/zinc/49/24/92/1202492492.db2.gz DZBSMSPCZFHNCS-UHFFFAOYSA-N 0 3 338.455 2.382 20 10 EECDHN O=C1N(C2CCCC2)CC[C@]12CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001274837332 1205180683 /nfs/dbraw/zinc/18/06/83/1205180683.db2.gz WIYQFBCQANKROJ-IBGZPJMESA-N 0 3 346.427 2.170 20 10 EECDHN O=C1N(C2CCCC2)CC[C@@]12CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001274837333 1205180799 /nfs/dbraw/zinc/18/07/99/1205180799.db2.gz WIYQFBCQANKROJ-LJQANCHMSA-N 0 3 346.427 2.170 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)CC2CCOCC2)cc1 ZINC000156183117 1208348669 /nfs/dbraw/zinc/34/86/69/1208348669.db2.gz FMHXRTSZHZSBLS-UHFFFAOYSA-N 0 3 333.476 2.069 20 10 EECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000076074393 1209026810 /nfs/dbraw/zinc/02/68/10/1209026810.db2.gz XIBXAXSAMFBSMU-AWEZNQCLSA-N 0 3 335.448 2.475 20 10 EECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000076074393 1209026815 /nfs/dbraw/zinc/02/68/15/1209026815.db2.gz XIBXAXSAMFBSMU-AWEZNQCLSA-N 0 3 335.448 2.475 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC[C@@]2(CN(C)CCO2)C1 ZINC001276368384 1225904982 /nfs/dbraw/zinc/90/49/82/1225904982.db2.gz LYBMBILCHJRHHS-LJQANCHMSA-N 0 3 333.476 2.058 20 10 EECDHN C[C@@H](F)CCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016380933 1226415438 /nfs/dbraw/zinc/41/54/38/1226415438.db2.gz GDZULXCQMZZKMK-RISCZKNCSA-N 0 3 335.383 2.401 20 10 EECDHN COc1cc(CNCC(=O)NCC(F)F)c(O)c(C(C)(C)C)c1 ZINC000850282767 1277139012 /nfs/dbraw/zinc/13/90/12/1277139012.db2.gz LSQQLSLDMCHHNE-UHFFFAOYSA-N 0 3 330.375 2.169 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(CCC(=O)OC)C1=O ZINC000852017946 1291956268 /nfs/dbraw/zinc/95/62/68/1291956268.db2.gz HLSMLIYPDGWXPT-INIZCTEOSA-N 0 3 348.443 2.158 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(CCC(=O)OC)C1=O ZINC000852017946 1291956273 /nfs/dbraw/zinc/95/62/73/1291956273.db2.gz HLSMLIYPDGWXPT-INIZCTEOSA-N 0 3 348.443 2.158 20 10 EECDHN Cc1cccc(CNCC(=O)Nc2ccc3c(c2)OCCO3)c1O ZINC000862536764 1295871034 /nfs/dbraw/zinc/87/10/34/1295871034.db2.gz UULUTVDPNATATO-UHFFFAOYSA-N 0 3 328.368 2.200 20 10 EECDHN O=C1c2cccc(O[C@H]3CCNC[C@@H]3F)c2C(=O)c2cccc(O)c21 ZINC001218065281 1297561242 /nfs/dbraw/zinc/56/12/42/1297561242.db2.gz FBSOATSWXKHSFQ-JSGCOSHPSA-N 0 3 341.338 2.246 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@H]4C[C@@H]3C[NH2+]4)cccc21 ZINC001218112792 1297578547 /nfs/dbraw/zinc/57/85/47/1297578547.db2.gz UICODPXTMCWFPD-GLKRBJQHSA-N 0 3 335.359 2.297 20 10 EECDHN C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1Cl ZINC001276838244 1299845739 /nfs/dbraw/zinc/84/57/39/1299845739.db2.gz ZAMGLNCRKHTVNZ-BETUJISGSA-N 0 3 341.858 2.395 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001277442256 1303035493 /nfs/dbraw/zinc/03/54/93/1303035493.db2.gz VHUJXBXOIHGTPD-FCLUMBPUSA-N 0 3 326.400 2.258 20 10 EECDHN Cc1cccc(CN2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c1O ZINC001231592412 1303859441 /nfs/dbraw/zinc/85/94/41/1303859441.db2.gz MSIVZJFMYMKENP-LJQANCHMSA-N 0 3 345.443 2.288 20 10 EECDHN CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(Cl)c(OC)cc3[O-])C[C@@H]2C1 ZINC001232266298 1304058136 /nfs/dbraw/zinc/05/81/36/1304058136.db2.gz VZJCQXVEZRMFTM-SUMWQHHRSA-N 0 3 340.851 2.207 20 10 EECDHN CC[N@H+]1CCO[C@@H]2CN(Cc3cc(Cl)c(OC)cc3[O-])C[C@@H]2C1 ZINC001232266298 1304058138 /nfs/dbraw/zinc/05/81/38/1304058138.db2.gz VZJCQXVEZRMFTM-SUMWQHHRSA-N 0 3 340.851 2.207 20 10 EECDHN CC1(C(N)=O)CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233760568 1304581401 /nfs/dbraw/zinc/58/14/01/1304581401.db2.gz HMJNSEJPGXLRRX-UHFFFAOYSA-N 0 3 332.322 2.378 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1Br ZINC001235997733 1305470869 /nfs/dbraw/zinc/47/08/69/1305470869.db2.gz ZHMHPEBDKVNXAI-YGRLFVJLSA-N 0 3 327.222 2.086 20 10 EECDHN COCCN1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237052075 1305779181 /nfs/dbraw/zinc/77/91/81/1305779181.db2.gz OSVVWHCTGVXRPC-UHFFFAOYSA-N 0 3 348.365 2.097 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001237489053 1305956573 /nfs/dbraw/zinc/95/65/73/1305956573.db2.gz UTCUNGIATQGWQS-GASCZTMLSA-N 0 3 326.396 2.498 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001237489053 1305956581 /nfs/dbraw/zinc/95/65/81/1305956581.db2.gz UTCUNGIATQGWQS-GASCZTMLSA-N 0 3 326.396 2.498 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1[O-] ZINC000840962491 1315446905 /nfs/dbraw/zinc/44/69/05/1315446905.db2.gz HKQSGAWJPDBVGT-BXUZGUMPSA-N 0 3 344.249 2.340 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1[O-] ZINC000840962492 1315447085 /nfs/dbraw/zinc/44/70/85/1315447085.db2.gz HKQSGAWJPDBVGT-FZMZJTMJSA-N 0 3 344.249 2.340 20 10 EECDHN CN(C)c1ccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000841654699 1315591093 /nfs/dbraw/zinc/59/10/93/1315591093.db2.gz PBDMGRLOSYYKQL-IBGZPJMESA-N 0 3 338.455 2.439 20 10 EECDHN CC(=O)c1ccccc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000843299037 1315884259 /nfs/dbraw/zinc/88/42/59/1315884259.db2.gz QNAXZRRBVLAGRC-GOSISDBHSA-N 0 3 325.412 2.385 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC001249725090 1317159806 /nfs/dbraw/zinc/15/98/06/1317159806.db2.gz NAPQFKLJJVQMJT-SFHVURJKSA-N 0 3 337.416 2.071 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC001249725090 1317159812 /nfs/dbraw/zinc/15/98/12/1317159812.db2.gz NAPQFKLJJVQMJT-SFHVURJKSA-N 0 3 337.416 2.071 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001203552543 1321910899 /nfs/dbraw/zinc/91/08/99/1321910899.db2.gz NTAOBVLMYOUEJZ-XLIONFOSSA-N 0 3 340.423 2.452 20 10 EECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001203552543 1321910901 /nfs/dbraw/zinc/91/09/01/1321910901.db2.gz NTAOBVLMYOUEJZ-XLIONFOSSA-N 0 3 340.423 2.452 20 10 EECDHN O=C1CC2(CN1CC1CC1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204277766 1322103479 /nfs/dbraw/zinc/10/34/79/1322103479.db2.gz LGXJGDFHVINZCW-UHFFFAOYSA-N 0 3 330.428 2.322 20 10 EECDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(N3CCCC3)cc2)O1 ZINC001204327860 1322113459 /nfs/dbraw/zinc/11/34/59/1322113459.db2.gz KQAKGICEEPRGCO-QRVBRYPASA-N 0 3 343.471 2.107 20 10 EECDHN COc1cc([O-])c(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205145845 1322297493 /nfs/dbraw/zinc/29/74/93/1322297493.db2.gz KBFHEGGJBCXLOZ-GXSJLCMTSA-N 0 3 329.238 2.190 20 10 EECDHN CC(C)(C)OC(=O)N1CCOC[C@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001208987546 1324750475 /nfs/dbraw/zinc/75/04/75/1324750475.db2.gz PTRCDGKITBFUBX-OAHLLOKOSA-N 0 3 348.443 2.386 20 10 EECDHN CC(C)(C)OC(=O)N1CCOC[C@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001208987546 1324750481 /nfs/dbraw/zinc/75/04/81/1324750481.db2.gz PTRCDGKITBFUBX-OAHLLOKOSA-N 0 3 348.443 2.386 20 10 EECDHN CC(C)(C)OC(=O)N1CCOC[C@H]1CN1CCc2cccc(O)c2C1 ZINC001208987546 1324750491 /nfs/dbraw/zinc/75/04/91/1324750491.db2.gz PTRCDGKITBFUBX-OAHLLOKOSA-N 0 3 348.443 2.386 20 10 EECDHN COc1cccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(C)c2)c1O ZINC001605317691 1351134951 /nfs/dbraw/zinc/13/49/51/1351134951.db2.gz AWMLLPMKQVVAOZ-UHFFFAOYSA-N 0 3 325.372 2.179 20 10 EECDHN COC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001308009675 1331558130 /nfs/dbraw/zinc/55/81/30/1331558130.db2.gz CDUQMFAJPIZXRI-GFCCVEGCSA-N 0 3 328.368 2.468 20 10 EECDHN COc1ccc(O)c(CN2CCCN(Cc3cc(C)on3)CC2)c1 ZINC001320627030 1332924074 /nfs/dbraw/zinc/92/40/74/1332924074.db2.gz ZEQDNUIIBXHUIQ-UHFFFAOYSA-N 0 3 331.416 2.405 20 10 EECDHN CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469053 1349344687 /nfs/dbraw/zinc/34/46/87/1349344687.db2.gz XOHRDHAAIWNFIC-INIZCTEOSA-N 0 3 344.463 2.345 20 10 EECDHN CCN(CC)c1ccc(CN2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001140856065 1372698255 /nfs/dbraw/zinc/69/82/55/1372698255.db2.gz QCCJPLKIXUPXJU-QGZVFWFLSA-N 0 3 333.476 2.143 20 10 EECDHN CCN1CC[C@]2(CCC[N@H+](Cc3c([O-])cc(OC)cc3OC)C2)C1=O ZINC001141026864 1372742236 /nfs/dbraw/zinc/74/22/36/1372742236.db2.gz GKXGKGBVSHIXNU-IBGZPJMESA-N 0 3 348.443 2.244 20 10 EECDHN CCN1CC[C@]2(CCC[N@@H+](Cc3c([O-])cc(OC)cc3OC)C2)C1=O ZINC001141026864 1372742239 /nfs/dbraw/zinc/74/22/39/1372742239.db2.gz GKXGKGBVSHIXNU-IBGZPJMESA-N 0 3 348.443 2.244 20 10 EECDHN COc1nc(C(=O)NC/C=C\CNCc2ccc(OC)c(C)c2)co1 ZINC001754154224 1406851016 /nfs/dbraw/zinc/85/10/16/1406851016.db2.gz UKUQIKIFWSEKQK-PLNGDYQASA-N 0 3 345.399 2.076 20 10 EECDHN CN(CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)CC(C)(C)C ZINC000824712138 788284597 /nfs/dbraw/zinc/28/45/97/788284597.db2.gz SLSRNJJNPIXTTQ-UHFFFAOYSA-N 0 3 347.503 2.242 20 10 EECDHN COc1cc([O-])c(CN2CCC[C@@H]([NH3+])CC2)c(Br)c1 ZINC001205124017 795373674 /nfs/dbraw/zinc/37/36/74/795373674.db2.gz IVRIHGWNPYJYLI-SNVBAGLBSA-N 0 3 329.238 2.477 20 10 EECDHN CCCS(=O)(=O)NC1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000054514205 214242587 /nfs/dbraw/zinc/24/25/87/214242587.db2.gz WLMXRZCVVFNQFS-UHFFFAOYSA-N 0 3 340.489 2.303 20 10 EECDHN CN(C)c1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000093454356 529780513 /nfs/dbraw/zinc/78/05/13/529780513.db2.gz PZSWRTWHTZGAOJ-SFHVURJKSA-N 0 3 328.460 2.432 20 10 EECDHN CC[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000125466827 463547415 /nfs/dbraw/zinc/54/74/15/463547415.db2.gz WOOXXHDCIRUOGN-OAHLLOKOSA-N 0 3 349.450 2.010 20 10 EECDHN CC[C@@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000269039804 463854463 /nfs/dbraw/zinc/85/44/63/463854463.db2.gz TUPXYZNELXWGKH-DOTOQJQBSA-N 0 3 339.505 2.217 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1[O-] ZINC000279357576 464092103 /nfs/dbraw/zinc/09/21/03/464092103.db2.gz GRXMGUNWVXYYOI-QMTHXVAHSA-N 0 3 330.222 2.093 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]C1CCN(CC(F)(F)F)CC1)OCO2 ZINC000264096043 464282274 /nfs/dbraw/zinc/28/22/74/464282274.db2.gz XNRBCHKABDZMFF-UHFFFAOYSA-N 0 3 332.322 2.237 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1[C@@H](C)CC[C@@H]1CC)cc2=O ZINC000271558701 464332850 /nfs/dbraw/zinc/33/28/50/464332850.db2.gz PHZURIMEZFAZSK-AAEUAGOBSA-N 0 3 332.404 2.375 20 10 EECDHN CCN1CCN([C@H]2CCN(Cc3ccc(N(C)C)c(C)c3)C2)CC1 ZINC000293093249 464386952 /nfs/dbraw/zinc/38/69/52/464386952.db2.gz NIQIFTNABJNFCY-IBGZPJMESA-N 0 3 330.520 2.273 20 10 EECDHN O=C(CNCc1cc2c(cc1O)OCO2)N1CCCc2ccccc21 ZINC000238123853 464434706 /nfs/dbraw/zinc/43/47/06/464434706.db2.gz UIZZBXJSBPDOJX-UHFFFAOYSA-N 0 3 340.379 2.190 20 10 EECDHN CCN1CCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000175227704 464510075 /nfs/dbraw/zinc/51/00/75/464510075.db2.gz PSNWKASNMRRQGF-SFHVURJKSA-N 0 3 328.460 2.346 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c([O-])c1C ZINC000273467048 464716207 /nfs/dbraw/zinc/71/62/07/464716207.db2.gz DXRAETHHMAIQRM-HNNXBMFYSA-N 0 3 333.476 2.212 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000184682743 465017892 /nfs/dbraw/zinc/01/78/92/465017892.db2.gz DUOZQAXLORDFRD-OAHLLOKOSA-N 0 3 340.851 2.351 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000184682743 465017894 /nfs/dbraw/zinc/01/78/94/465017894.db2.gz DUOZQAXLORDFRD-OAHLLOKOSA-N 0 3 340.851 2.351 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000184698900 465019780 /nfs/dbraw/zinc/01/97/80/465019780.db2.gz CKLQKMWSDVLVII-ZDUSSCGKSA-N 0 3 340.851 2.208 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000184698900 465019783 /nfs/dbraw/zinc/01/97/83/465019783.db2.gz CKLQKMWSDVLVII-ZDUSSCGKSA-N 0 3 340.851 2.208 20 10 EECDHN CN(C)C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)c2ccccc2O1 ZINC000361709974 466225659 /nfs/dbraw/zinc/22/56/59/466225659.db2.gz AXPIVAIBFWDHHB-MRXNPFEDSA-N 0 3 325.412 2.167 20 10 EECDHN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000370071211 466766112 /nfs/dbraw/zinc/76/61/12/466766112.db2.gz GIHFSHKDQWPRCK-UONOGXRCSA-N 0 3 325.412 2.421 20 10 EECDHN CC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000771868297 577235267 /nfs/dbraw/zinc/23/52/67/577235267.db2.gz JWPJFWHPNXLYLC-CVEARBPZSA-N 0 3 345.409 2.230 20 10 EECDHN NC(=O)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000771934037 577239701 /nfs/dbraw/zinc/23/97/01/577239701.db2.gz SMNNOMXTTKLWFV-OAHLLOKOSA-N 0 3 346.431 2.282 20 10 EECDHN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000734270091 577287571 /nfs/dbraw/zinc/28/75/71/577287571.db2.gz OSLDCBULKDBNAD-INIZCTEOSA-N 0 3 328.460 2.323 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C[C@H]3CCOC3)C1)[C@H](O)CO2 ZINC000773252925 577327208 /nfs/dbraw/zinc/32/72/08/577327208.db2.gz BMUDUCXQZKSPST-HBUWYVDXSA-N 0 3 333.428 2.457 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C[C@H]3CCOC3)C1)[C@H](O)CO2 ZINC000773252925 577327209 /nfs/dbraw/zinc/32/72/09/577327209.db2.gz BMUDUCXQZKSPST-HBUWYVDXSA-N 0 3 333.428 2.457 20 10 EECDHN CCCNC(=O)CN(CCC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775659264 577441972 /nfs/dbraw/zinc/44/19/72/577441972.db2.gz ZRODGCTYPANOBX-UHFFFAOYSA-N 0 3 346.519 2.177 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@H](C)C3)CC2)cc1 ZINC000775729795 577444101 /nfs/dbraw/zinc/44/41/01/577444101.db2.gz SPTGQWHISFKUFP-KRWDZBQOSA-N 0 3 345.487 2.466 20 10 EECDHN COc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000769432572 577577887 /nfs/dbraw/zinc/57/78/87/577577887.db2.gz HPFVNVHETGSVMH-KRWDZBQOSA-N 0 3 331.416 2.080 20 10 EECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756418323 577843799 /nfs/dbraw/zinc/84/37/99/577843799.db2.gz SNOJAZCZSQTASJ-WCQYABFASA-N 0 3 344.452 2.341 20 10 EECDHN CCN(CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)S(C)(=O)=O ZINC000756441104 577844305 /nfs/dbraw/zinc/84/43/05/577844305.db2.gz HYUNEBIYNPEMKW-WCQYABFASA-N 0 3 344.452 2.341 20 10 EECDHN CN(C)[C@H](CNC(=O)NCc1ccccc1O)Cc1ccccc1 ZINC000748463652 577962362 /nfs/dbraw/zinc/96/23/62/577962362.db2.gz ZZPCTQBWQBAVPC-KRWDZBQOSA-N 0 3 327.428 2.364 20 10 EECDHN Cc1ccc([C@H](O)CNCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000741261637 578115785 /nfs/dbraw/zinc/11/57/85/578115785.db2.gz PUYKMLXKCGPQMK-QGZVFWFLSA-N 0 3 334.391 2.387 20 10 EECDHN COc1ccnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891245296 676238129 /nfs/dbraw/zinc/23/81/29/676238129.db2.gz CCZWHXVEQLTEQR-SFHVURJKSA-N 0 3 342.443 2.189 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)N(C)C)cc1 ZINC000891246925 676242329 /nfs/dbraw/zinc/24/23/29/676242329.db2.gz FMMUHTKWPBMZFO-TVFCKZIOSA-N 0 3 331.460 2.039 20 10 EECDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnccn1 ZINC000891248574 676242702 /nfs/dbraw/zinc/24/27/02/676242702.db2.gz ZDVAEARZXBLSQY-KDOFPFPSSA-N 0 3 341.459 2.065 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CC2CCOCC2)N(C)C)cc1 ZINC000891250644 676245472 /nfs/dbraw/zinc/24/54/72/676245472.db2.gz BHAYJIPTOBVTFN-GOSISDBHSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC23CCOCC3)N(C)C)cc1 ZINC000891253055 676249109 /nfs/dbraw/zinc/24/91/09/676249109.db2.gz PTGWFHIFTQPBAX-QZTJIDSGSA-N 0 3 345.487 2.288 20 10 EECDHN Cc1n[nH]c(C)c1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255819 676253101 /nfs/dbraw/zinc/25/31/01/676253101.db2.gz SEPOQAFPVHPHNS-SFHVURJKSA-N 0 3 343.475 2.054 20 10 EECDHN COc1ccc(CNCc2cccc3c2OCCO3)c(O)c1OC ZINC000892405647 679663026 /nfs/dbraw/zinc/66/30/26/679663026.db2.gz SBPIVBIWPVBHIA-UHFFFAOYSA-N 0 3 331.368 2.470 20 10 EECDHN CC[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC000894974532 683445224 /nfs/dbraw/zinc/44/52/24/683445224.db2.gz HGXXQVANUWDLAW-SJORKVTESA-N 0 3 336.480 2.080 20 10 EECDHN CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000899102978 693606908 /nfs/dbraw/zinc/60/69/08/693606908.db2.gz UAZKXRRBDXKBRS-MSOLQXFVSA-N 0 3 348.491 2.176 20 10 EECDHN COC[C@@H]1CCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098688 693611719 /nfs/dbraw/zinc/61/17/19/693611719.db2.gz RBBIXWXCRALATD-ZWKOTPCHSA-N 0 3 348.491 2.176 20 10 EECDHN O=C(c1cc(O)c([O-])c(O)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001270069728 1184825099 /nfs/dbraw/zinc/82/50/99/1184825099.db2.gz PDZQTUXQUSDVOK-OKILXGFUSA-N 0 3 332.400 2.035 20 10 EECDHN O=C(c1cc(O)c([O-])c(O)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001270069728 1184825110 /nfs/dbraw/zinc/82/51/10/1184825110.db2.gz PDZQTUXQUSDVOK-OKILXGFUSA-N 0 3 332.400 2.035 20 10 EECDHN O[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877093865 1199861171 /nfs/dbraw/zinc/86/11/71/1199861171.db2.gz LMRQNHGOHCVAOM-NHCUHLMSSA-N 0 3 338.451 2.396 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000877656526 1200010445 /nfs/dbraw/zinc/01/04/45/1200010445.db2.gz LPAXAPWTRKNWKK-CQSZACIVSA-N 0 3 336.432 2.426 20 10 EECDHN Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000929146172 1206451614 /nfs/dbraw/zinc/45/16/14/1206451614.db2.gz CLHNJJYWMYADFK-HNNXBMFYSA-N 0 3 331.420 2.473 20 10 EECDHN C[C@H]1C[C@H]([NH2+]CC2(OCCO)CCOCC2)c2c1c(F)ccc2[O-] ZINC000800501767 1234222517 /nfs/dbraw/zinc/22/25/17/1234222517.db2.gz CYNWSANNTBQRCO-JSGCOSHPSA-N 0 3 339.407 2.227 20 10 EECDHN CC[C@@H](NCCS(=O)(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000903291160 1240188239 /nfs/dbraw/zinc/18/82/39/1240188239.db2.gz QDFJPJSNAMIEMY-QGZVFWFLSA-N 0 3 339.505 2.219 20 10 EECDHN OCC1CCN(c2ccc(CNCc3cnc4n3CCC4)cc2)CC1 ZINC000850073166 1277017170 /nfs/dbraw/zinc/01/71/70/1277017170.db2.gz WQLZJLYQKOTUGU-UHFFFAOYSA-N 0 3 340.471 2.328 20 10 EECDHN O=C1c2cccc(O[C@@H]3C[C@H]4C[C@@H]3C[NH2+]4)c2C(=O)c2cccc([O-])c21 ZINC001218111894 1297576697 /nfs/dbraw/zinc/57/66/97/1297576697.db2.gz ZDWHJFVPLRHDGO-GLKRBJQHSA-N 0 3 335.359 2.297 20 10 EECDHN COC(=O)[C@H]1CNCCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001222421392 1299564088 /nfs/dbraw/zinc/56/40/88/1299564088.db2.gz LSHWONJIJRKXHY-QGZVFWFLSA-N 0 3 344.386 2.145 20 10 EECDHN O=C([C@@H]1CC12CN(Cc1ccccc1O)C2)N1CC(F)(C2CC2)C1 ZINC001277445413 1303056247 /nfs/dbraw/zinc/05/62/47/1303056247.db2.gz FJVKZUFQRSYLIM-HNNXBMFYSA-N 0 3 330.403 2.175 20 10 EECDHN COc1cc(CN2CCCC[C@](O)(C(F)(F)F)C2)c(O)cc1O ZINC001231634121 1303872339 /nfs/dbraw/zinc/87/23/39/1303872339.db2.gz IKXUKALRZHUEDS-CQSZACIVSA-N 0 3 335.322 2.386 20 10 EECDHN Cc1ccc(C[NH2+]C23CC(C(=O)N[C@@H](C)c4ncc[nH]4)(C2)C3)c([O-])c1 ZINC001277569079 1303923348 /nfs/dbraw/zinc/92/33/48/1303923348.db2.gz VAGWCUBCSKLTDR-MDAWKPQNSA-N 0 3 340.427 2.313 20 10 EECDHN COc1ccc(N2CCN(CCCNCc3cc(C)on3)CC2)cc1 ZINC000782160073 1303973685 /nfs/dbraw/zinc/97/36/85/1303973685.db2.gz IJPRGZLJIGHFLG-UHFFFAOYSA-N 0 3 344.459 2.294 20 10 EECDHN Oc1cc(C(F)(F)F)ccc1CN1CCN([C@@H]2CCOC2)CC1 ZINC001233452054 1304470398 /nfs/dbraw/zinc/47/03/98/1304470398.db2.gz IUWPTYWWYPUUDW-CQSZACIVSA-N 0 3 330.350 2.318 20 10 EECDHN Cc1cccnc1N1CCCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485332 1304478844 /nfs/dbraw/zinc/47/88/44/1304478844.db2.gz RCCNRFOTEXCLER-UHFFFAOYSA-N 0 3 329.400 2.219 20 10 EECDHN CN(C)C(=O)CC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237060503 1305783209 /nfs/dbraw/zinc/78/32/09/1305783209.db2.gz UVIHWOCBXITJBJ-UHFFFAOYSA-N 0 3 334.338 2.243 20 10 EECDHN CN(C)C(=O)CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237060503 1305783217 /nfs/dbraw/zinc/78/32/17/1305783217.db2.gz UVIHWOCBXITJBJ-UHFFFAOYSA-N 0 3 334.338 2.243 20 10 EECDHN Cc1cccc(O)c1CN1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001237492909 1305957720 /nfs/dbraw/zinc/95/77/20/1305957720.db2.gz UHNGZTKVOMVLTD-UHFFFAOYSA-N 0 3 338.455 2.102 20 10 EECDHN CCc1ncoc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120704386 1309701659 /nfs/dbraw/zinc/70/16/59/1309701659.db2.gz XMTLYNRYFNKQQF-MRXNPFEDSA-N 0 3 330.432 2.336 20 10 EECDHN Nc1ccc(CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000832658908 1314692225 /nfs/dbraw/zinc/69/22/25/1314692225.db2.gz HFKSULNOVYCYCP-SFHVURJKSA-N 0 3 338.455 2.235 20 10 EECDHN CCN1CCN(c2ccc(CN3CCc4c(ncn4C)C3)cc2)CC1 ZINC001140306000 1314863353 /nfs/dbraw/zinc/86/33/53/1314863353.db2.gz JYSHZSPGMZIQRA-UHFFFAOYSA-N 0 3 339.487 2.120 20 10 EECDHN C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140467696 1314892849 /nfs/dbraw/zinc/89/28/49/1314892849.db2.gz VMLIWEVRGRUAQH-ZDUSSCGKSA-N 0 3 334.851 2.436 20 10 EECDHN CCN(CCCC(=O)OC)Cc1ccc(N2CCOCC2)cc1F ZINC001140660089 1314923595 /nfs/dbraw/zinc/92/35/95/1314923595.db2.gz FNVJIQUIINNDTK-UHFFFAOYSA-N 0 3 338.423 2.437 20 10 EECDHN O=C1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3F)C[C@@H]12 ZINC001140667868 1314926400 /nfs/dbraw/zinc/92/64/00/1314926400.db2.gz KXSVMZUFXWWPNH-RHSMWYFYSA-N 0 3 332.419 2.463 20 10 EECDHN CCO[C@@H]1CN(Cc2c(O)cc(OC)cc2OC)[C@@H]2CCCO[C@H]12 ZINC001141034986 1315022332 /nfs/dbraw/zinc/02/23/32/1315022332.db2.gz YCLJFQNYGOTVPX-OLMNPRSZSA-N 0 3 337.416 2.178 20 10 EECDHN CN(C)c1ncc(CNCc2ccc(N3CCSCC3)cc2)n1C ZINC000840881020 1315426726 /nfs/dbraw/zinc/42/67/26/1315426726.db2.gz NCQYUGWSEDRFBM-UHFFFAOYSA-N 0 3 345.516 2.329 20 10 EECDHN COC1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000841687408 1315597087 /nfs/dbraw/zinc/59/70/87/1315597087.db2.gz HPEBHXBGABIIQI-ZDUSSCGKSA-N 0 3 347.333 2.361 20 10 EECDHN COC1(C(F)(F)F)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000841687408 1315597090 /nfs/dbraw/zinc/59/70/90/1315597090.db2.gz HPEBHXBGABIIQI-ZDUSSCGKSA-N 0 3 347.333 2.361 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c([O-])c1 ZINC001249207844 1317023190 /nfs/dbraw/zinc/02/31/90/1317023190.db2.gz JWOAOUIXSIVMGS-MRXNPFEDSA-N 0 3 341.354 2.108 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c([O-])c1 ZINC001249207844 1317023198 /nfs/dbraw/zinc/02/31/98/1317023198.db2.gz JWOAOUIXSIVMGS-MRXNPFEDSA-N 0 3 341.354 2.108 20 10 EECDHN CN1CCN(C2CN(Cc3ccc4c(c3O)C=CC(C)(C)O4)C2)CC1 ZINC001249258641 1317035684 /nfs/dbraw/zinc/03/56/84/1317035684.db2.gz LPQUAWJMYUPKDS-UHFFFAOYSA-N 0 3 343.471 2.008 20 10 EECDHN CCOC(=O)CCCOc1ccc(CN2CC[C@@]23CCOC3)c(O)c1 ZINC001249742870 1317162465 /nfs/dbraw/zinc/16/24/65/1317162465.db2.gz CFVLYRHKWZLIHG-IBGZPJMESA-N 0 3 349.427 2.479 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC001203552114 1321910556 /nfs/dbraw/zinc/91/05/56/1321910556.db2.gz BCZWZVVYKAQNAR-QFBILLFUSA-N 0 3 328.412 2.318 20 10 EECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC001203552114 1321910558 /nfs/dbraw/zinc/91/05/58/1321910558.db2.gz BCZWZVVYKAQNAR-QFBILLFUSA-N 0 3 328.412 2.318 20 10 EECDHN O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]21)N1CCCC1 ZINC001203556339 1321911521 /nfs/dbraw/zinc/91/15/21/1321911521.db2.gz NEISFQDKUSOEAD-LMMKCTJWSA-N 0 3 344.455 2.242 20 10 EECDHN O=C(C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]21)N1CCCC1 ZINC001203556339 1321911525 /nfs/dbraw/zinc/91/15/25/1321911525.db2.gz NEISFQDKUSOEAD-LMMKCTJWSA-N 0 3 344.455 2.242 20 10 EECDHN CN(C)c1ccc(CN2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)cc1 ZINC001203932768 1321994042 /nfs/dbraw/zinc/99/40/42/1321994042.db2.gz BZYLSYDICSDQIJ-QRVBRYPASA-N 0 3 343.471 2.011 20 10 EECDHN CCOc1ccc(N2CCN(C[C@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC001208977887 1324746039 /nfs/dbraw/zinc/74/60/39/1324746039.db2.gz WYCYMCCBYLSTOE-GOSISDBHSA-N 0 3 345.487 2.466 20 10 EECDHN CN1CCN(Cc2cccc(CNC(=O)C3=CC(=O)CS3)c2)CC1 ZINC001333803195 1336136790 /nfs/dbraw/zinc/13/67/90/1336136790.db2.gz DPACQRCRXQYRMB-UHFFFAOYSA-N 0 3 345.468 2.131 20 10 EECDHN C[C@@H](CO)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852421736 1369269331 /nfs/dbraw/zinc/26/93/31/1369269331.db2.gz HQYXTQSKAWNCRM-LPHOPBHVSA-N 0 3 347.503 2.194 20 10 EECDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000780904397 1371174963 /nfs/dbraw/zinc/17/49/63/1371174963.db2.gz ZAKRPGMPGROUKU-IBGZPJMESA-N 0 3 335.467 2.434 20 10 EECDHN CCC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140287580 1372557321 /nfs/dbraw/zinc/55/73/21/1372557321.db2.gz YZOYMLWIKIIMRV-QGZVFWFLSA-N 0 3 345.487 2.138 20 10 EECDHN CCc1cccc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1[O-] ZINC000848917242 1373194279 /nfs/dbraw/zinc/19/42/79/1373194279.db2.gz QCYFEGWEDKFJJG-INIZCTEOSA-N 0 3 335.444 2.460 20 10 EECDHN C[C@H]1CCCN1CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089864276 782409455 /nfs/dbraw/zinc/40/94/55/782409455.db2.gz WNHNFGHQTGFPLC-HNNXBMFYSA-N 0 3 346.450 2.348 20 10 EECDHN COCCOCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920412396 770697168 /nfs/dbraw/zinc/69/71/68/770697168.db2.gz QRGYSYYCHSPWBB-UHFFFAOYSA-N 0 3 337.420 2.338 20 10 EECDHN C[C@@H](NC(=O)c1ccnn1CCN(C)C)c1ccc(N(C)C)cc1 ZINC000907494239 784675669 /nfs/dbraw/zinc/67/56/69/784675669.db2.gz WPYBXIHMAZQHMN-CQSZACIVSA-N 0 3 329.448 2.002 20 10 EECDHN O=C(NCc1ccc(O)cc1O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000910951987 787132537 /nfs/dbraw/zinc/13/25/37/787132537.db2.gz NRHFUDPJGCMRDR-INIZCTEOSA-N 0 3 341.411 2.021 20 10 EECDHN CN1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](Cc2ccccc2)C1 ZINC000844742852 789343117 /nfs/dbraw/zinc/34/31/17/789343117.db2.gz QGBJCKFXEFZSAX-KRWDZBQOSA-N 0 3 340.423 2.480 20 10 EECDHN O=C1C[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CCN1Cc1ccccc1 ZINC001172671240 797064712 /nfs/dbraw/zinc/06/47/12/797064712.db2.gz LTHCAVOMLQPRHT-INIZCTEOSA-N 0 3 326.396 2.379 20 10 EECDHN COCCN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000994494222 798093334 /nfs/dbraw/zinc/09/33/34/798093334.db2.gz MUNPWACBJGUBSC-DOMZBBRYSA-N 0 3 347.419 2.078 20 10 EECDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000808174835 812518423 /nfs/dbraw/zinc/51/84/23/812518423.db2.gz KKUQQCXLTFOUSL-HNNXBMFYSA-N 0 3 349.862 2.400 20 10 EECDHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000097600611 529709784 /nfs/dbraw/zinc/70/97/84/529709784.db2.gz CGNFQUFTEQVRGR-OALUTQOASA-N 0 3 347.503 2.336 20 10 EECDHN C[C@H](NC1CC1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000296407261 465183511 /nfs/dbraw/zinc/18/35/11/465183511.db2.gz LVTDJHMFSWZHMY-KXBFYZLASA-N 0 3 345.487 2.401 20 10 EECDHN C[C@H](NC1CC1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000296407254 465184619 /nfs/dbraw/zinc/18/46/19/465184619.db2.gz LVTDJHMFSWZHMY-HNAYVOBHSA-N 0 3 345.487 2.401 20 10 EECDHN COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000185201317 463775426 /nfs/dbraw/zinc/77/54/26/463775426.db2.gz WYNISFCNCSSPNH-ZDUSSCGKSA-N 0 3 344.411 2.490 20 10 EECDHN C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCN3)cc2F)C[C@H](C)O1 ZINC000269260842 463931806 /nfs/dbraw/zinc/93/18/06/463931806.db2.gz WHPHSBTVZCZHTH-ZQIUZPCESA-N 0 3 349.450 2.198 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]CC2(N3CCOCC3)CC2)c1[O-] ZINC000278377397 463963729 /nfs/dbraw/zinc/96/37/29/463963729.db2.gz LGRJDUOUFRXIES-UHFFFAOYSA-N 0 3 326.824 2.009 20 10 EECDHN CCOCc1cc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)ccc1OC ZINC000284036445 464073414 /nfs/dbraw/zinc/07/34/14/464073414.db2.gz ONVDOTSPEODVIC-FUHWJXTLSA-N 0 3 339.476 2.479 20 10 EECDHN CN(C)CCOc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000237201944 464282920 /nfs/dbraw/zinc/28/29/20/464282920.db2.gz BNWUASAASHXFSC-UHFFFAOYSA-N 0 3 327.428 2.068 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284757312 464325374 /nfs/dbraw/zinc/32/53/74/464325374.db2.gz LVEQTGABSQWLIF-OALUTQOASA-N 0 3 345.487 2.354 20 10 EECDHN COc1cccc(CNC(=O)NC[C@@H](C)N2CCC(C)CC2)c1O ZINC000174387823 464403051 /nfs/dbraw/zinc/40/30/51/464403051.db2.gz CEVSQOFJMULPHF-CQSZACIVSA-N 0 3 335.448 2.320 20 10 EECDHN Cc1cc([O-])c(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1C ZINC000295113682 464710863 /nfs/dbraw/zinc/71/08/63/464710863.db2.gz MCHLTDHIQQCGOE-OAHLLOKOSA-N 0 3 338.448 2.326 20 10 EECDHN Cc1cc([O-])c(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1C ZINC000295113682 464710866 /nfs/dbraw/zinc/71/08/66/464710866.db2.gz MCHLTDHIQQCGOE-OAHLLOKOSA-N 0 3 338.448 2.326 20 10 EECDHN Cc1cc(O)c(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1C ZINC000295113682 464710869 /nfs/dbraw/zinc/71/08/69/464710869.db2.gz MCHLTDHIQQCGOE-OAHLLOKOSA-N 0 3 338.448 2.326 20 10 EECDHN CCCOc1ccc(C[NH2+]CCCCCS(C)(=O)=O)c([O-])c1 ZINC000274774071 464754992 /nfs/dbraw/zinc/75/49/92/464754992.db2.gz SSMUAAROVLZATM-UHFFFAOYSA-N 0 3 329.462 2.486 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1C(C)C)cc2=O ZINC000299251940 465665525 /nfs/dbraw/zinc/66/55/25/465665525.db2.gz ZMFDQKXTJOSZIT-CQSZACIVSA-N 0 3 332.404 2.232 20 10 EECDHN C[C@H](O)CN(CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000298144623 525746307 /nfs/dbraw/zinc/74/63/07/525746307.db2.gz OLFVPOJAMWOUGC-INIZCTEOSA-N 0 3 347.503 2.384 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192081209 528765124 /nfs/dbraw/zinc/76/51/24/528765124.db2.gz FVHUBJLOHYHQME-VHSXEESVSA-N 0 3 329.238 2.487 20 10 EECDHN CC(C)[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000160022101 528910105 /nfs/dbraw/zinc/91/01/05/528910105.db2.gz WRCUJWJDXABYRS-GOSISDBHSA-N 0 3 333.476 2.068 20 10 EECDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1 ZINC000775370010 577436093 /nfs/dbraw/zinc/43/60/93/577436093.db2.gz JZEZFUYMKIEHPE-QWRGUYRKSA-N 0 3 337.420 2.064 20 10 EECDHN CCN(CC)c1ccc(CN[C@@H]2CCOC[C@@H]2OCCOC)cc1 ZINC000776812593 577468458 /nfs/dbraw/zinc/46/84/58/577468458.db2.gz LJVZIYIGBPPVBA-MOPGFXCFSA-N 0 3 336.476 2.443 20 10 EECDHN CCOc1cccc(CN(CCC(=O)OC)C[C@@H]2CCCO2)c1O ZINC000769446469 577578072 /nfs/dbraw/zinc/57/80/72/577578072.db2.gz QMQDZVULXBJNBT-HNNXBMFYSA-N 0 3 337.416 2.335 20 10 EECDHN CN(C)CCOc1ccc(N(C)Cc2cnc3cnccn23)cc1 ZINC000761222520 577679567 /nfs/dbraw/zinc/67/95/67/577679567.db2.gz KIGVHFPXDCAFHO-UHFFFAOYSA-N 0 3 325.416 2.306 20 10 EECDHN CCOCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891247327 676241758 /nfs/dbraw/zinc/24/17/58/676241758.db2.gz IFCBCOCEQNFCKG-QGZVFWFLSA-N 0 3 333.476 2.288 20 10 EECDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC000891250026 676245922 /nfs/dbraw/zinc/24/59/22/676245922.db2.gz XZOKILJFKOQKDK-GOSISDBHSA-N 0 3 326.444 2.489 20 10 EECDHN CCCCN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051180072 676652182 /nfs/dbraw/zinc/65/21/82/676652182.db2.gz GNWBMURFGFZZKW-UHFFFAOYSA-N 0 3 337.439 2.010 20 10 EECDHN COc1cc(C)cc(CNCC(=O)N(C)Cc2ccccc2)c1O ZINC000894193506 681203822 /nfs/dbraw/zinc/20/38/22/681203822.db2.gz QZSWFNBGGGWMDK-UHFFFAOYSA-N 0 3 328.412 2.457 20 10 EECDHN CCCNC(=O)CCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894199643 681213496 /nfs/dbraw/zinc/21/34/96/681213496.db2.gz QRUKCISLJIKFAF-UHFFFAOYSA-N 0 3 349.406 2.110 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCOCC2CC2)N(C)C)cc1 ZINC000892895256 683178035 /nfs/dbraw/zinc/17/80/35/683178035.db2.gz PCCFZHLIZDIAQE-GOSISDBHSA-N 0 3 348.491 2.081 20 10 EECDHN CC(C)n1cc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898450331 693319976 /nfs/dbraw/zinc/31/99/76/693319976.db2.gz QFUXHLSEZUPDHK-GOSISDBHSA-N 0 3 330.480 2.318 20 10 EECDHN CN(C)[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841619455 1187186388 /nfs/dbraw/zinc/18/63/88/1187186388.db2.gz NHWOKBNIRNHPGQ-GOSISDBHSA-N 0 3 326.444 2.413 20 10 EECDHN O=C(NCc1cnoc1)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619773 1190934411 /nfs/dbraw/zinc/93/44/11/1190934411.db2.gz ZFMPXPGNOXXNNW-INIZCTEOSA-N 0 3 341.411 2.299 20 10 EECDHN CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Br)ccc1[O-] ZINC000702587166 1196021053 /nfs/dbraw/zinc/02/10/53/1196021053.db2.gz LUHCARNIEQKYEY-DZGCQCFKSA-N 0 3 343.265 2.262 20 10 EECDHN CC(C)CC[C@H](N)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000876740657 1199750425 /nfs/dbraw/zinc/75/04/25/1199750425.db2.gz KQTRYCJSFOASMZ-QAPCUYQASA-N 0 3 333.476 2.464 20 10 EECDHN COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879647865 1201193068 /nfs/dbraw/zinc/19/30/68/1201193068.db2.gz OKYUFUPBRNWHHM-HIFRSBDPSA-N 0 3 345.395 2.269 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c([O-])c1 ZINC000883370450 1202054619 /nfs/dbraw/zinc/05/46/19/1202054619.db2.gz LNZXQWVYMXQRKW-QZTJIDSGSA-N 0 3 347.503 2.148 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@@]3(CCN([C@H](C)C(C)=O)C3=O)C2)c([O-])c1 ZINC001274652967 1205117131 /nfs/dbraw/zinc/11/71/31/1205117131.db2.gz FFBQGRMCRIAKHD-JLTOFOAXSA-N 0 3 344.455 2.357 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@@]3(CCN([C@H](C)C(C)=O)C3=O)C2)c([O-])c1 ZINC001274652967 1205117133 /nfs/dbraw/zinc/11/71/33/1205117133.db2.gz FFBQGRMCRIAKHD-JLTOFOAXSA-N 0 3 344.455 2.357 20 10 EECDHN COc1ccc(N2CCCC[C@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001274791047 1205163302 /nfs/dbraw/zinc/16/33/02/1205163302.db2.gz OYXAWUXVONOJPW-LJQANCHMSA-N 0 3 331.460 2.218 20 10 EECDHN CC(C)NC(=O)N1CCO[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001275267841 1205294550 /nfs/dbraw/zinc/29/45/50/1205294550.db2.gz YPJSGLURGZESTD-LJQANCHMSA-N 0 3 347.459 2.177 20 10 EECDHN CC(C)NC(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001275267841 1205294551 /nfs/dbraw/zinc/29/45/51/1205294551.db2.gz YPJSGLURGZESTD-LJQANCHMSA-N 0 3 347.459 2.177 20 10 EECDHN COCCOCN1CC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001275909341 1205581249 /nfs/dbraw/zinc/58/12/49/1205581249.db2.gz VSPAAZPDWOHMCB-UHFFFAOYSA-N 0 3 338.423 2.050 20 10 EECDHN CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001275952363 1205600283 /nfs/dbraw/zinc/60/02/83/1205600283.db2.gz DVLYXTRNGBAXAW-ZBFHGGJFSA-N 0 3 342.443 2.021 20 10 EECDHN CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001275952363 1205600284 /nfs/dbraw/zinc/60/02/84/1205600284.db2.gz DVLYXTRNGBAXAW-ZBFHGGJFSA-N 0 3 342.443 2.021 20 10 EECDHN COc1cccc([O-])c1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000796501106 1220024240 /nfs/dbraw/zinc/02/42/40/1220024240.db2.gz WSCQBSURISBNKC-UHFFFAOYSA-N 0 3 340.379 2.177 20 10 EECDHN CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001273769391 1285263968 /nfs/dbraw/zinc/26/39/68/1285263968.db2.gz IZUGODFMCMLVAP-HXUWFJFHSA-N 0 3 340.423 2.226 20 10 EECDHN CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001273769391 1285263974 /nfs/dbraw/zinc/26/39/74/1285263974.db2.gz IZUGODFMCMLVAP-HXUWFJFHSA-N 0 3 340.423 2.226 20 10 EECDHN O[C@@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000853107383 1292284313 /nfs/dbraw/zinc/28/43/13/1292284313.db2.gz ROTLYEXSBWWAIZ-KRWDZBQOSA-N 0 3 349.381 2.020 20 10 EECDHN CON(C)C(=O)[C@@H](C)NCc1ccc(OCc2ccccc2)cc1O ZINC000862542299 1295872893 /nfs/dbraw/zinc/87/28/93/1295872893.db2.gz LEIBUDSLUAZQJT-CQSZACIVSA-N 0 3 344.411 2.469 20 10 EECDHN CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000862542299 1295872907 /nfs/dbraw/zinc/87/29/07/1295872907.db2.gz LEIBUDSLUAZQJT-CQSZACIVSA-N 0 3 344.411 2.469 20 10 EECDHN O=C(Nc1nnco1)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441934 1303032486 /nfs/dbraw/zinc/03/24/86/1303032486.db2.gz RSZKWQYQEDLHOF-RDTXWAMCSA-N 0 3 342.399 2.406 20 10 EECDHN O=C(Nc1nnco1)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441934 1303032488 /nfs/dbraw/zinc/03/24/88/1303032488.db2.gz RSZKWQYQEDLHOF-RDTXWAMCSA-N 0 3 342.399 2.406 20 10 EECDHN COCCN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277445078 1303052851 /nfs/dbraw/zinc/05/28/51/1303052851.db2.gz AQNCIDGORMEBPM-PXNSSMCTSA-N 0 3 346.471 2.489 20 10 EECDHN COCCN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277445078 1303052854 /nfs/dbraw/zinc/05/28/54/1303052854.db2.gz AQNCIDGORMEBPM-PXNSSMCTSA-N 0 3 346.471 2.489 20 10 EECDHN COc1ccc(Br)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC001231553549 1303842811 /nfs/dbraw/zinc/84/28/11/1303842811.db2.gz YJVNARLOAIBZQO-LLVKDONJSA-N 0 3 341.249 2.443 20 10 EECDHN COc1ccc(Br)c(CN2CC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC001231553549 1303842818 /nfs/dbraw/zinc/84/28/18/1303842818.db2.gz YJVNARLOAIBZQO-LLVKDONJSA-N 0 3 341.249 2.443 20 10 EECDHN COCCN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC001277567024 1303919009 /nfs/dbraw/zinc/91/90/09/1303919009.db2.gz LCXHOIQDTKGTMS-LVFSCSRESA-N 0 3 346.471 2.310 20 10 EECDHN Cc1cnc2n1CCC21CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010950 1304326147 /nfs/dbraw/zinc/32/61/47/1304326147.db2.gz AEYUXTHXRBVALB-UHFFFAOYSA-N 0 3 329.400 2.246 20 10 EECDHN Oc1cc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc(O)c1O ZINC001233011426 1304326205 /nfs/dbraw/zinc/32/62/05/1304326205.db2.gz HIWKFWANQWQSDM-JKSUJKDBSA-N 0 3 341.411 2.047 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Br ZINC001233140690 1304373467 /nfs/dbraw/zinc/37/34/67/1304373467.db2.gz RDJHZMCHSAPKOK-TXEJJXNPSA-N 0 3 341.249 2.157 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1Br ZINC001233140690 1304373476 /nfs/dbraw/zinc/37/34/76/1304373476.db2.gz RDJHZMCHSAPKOK-TXEJJXNPSA-N 0 3 341.249 2.157 20 10 EECDHN COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001235915967 1305444795 /nfs/dbraw/zinc/44/47/95/1305444795.db2.gz BPVZWJUORVGLFB-RISCZKNCSA-N 0 3 340.851 2.418 20 10 EECDHN COc1cc(CN2CC[C@]3(C2)CC(F)(F)CO3)c(O)c(OC)c1 ZINC001237677357 1306040419 /nfs/dbraw/zinc/04/04/19/1306040419.db2.gz ASSZMIJGOINDHI-OAHLLOKOSA-N 0 3 329.343 2.410 20 10 EECDHN COc1ccc(CN[C@H](C)C(=O)N2CCCC[C@@H]2C)c(O)c1OC ZINC001120027922 1309288579 /nfs/dbraw/zinc/28/85/79/1309288579.db2.gz VDYOAMPNSCLEHT-QWHCGFSZSA-N 0 3 336.432 2.289 20 10 EECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000840933290 1315440498 /nfs/dbraw/zinc/44/04/98/1315440498.db2.gz BKOAEKLVMSKJNH-CQSZACIVSA-N 0 3 329.366 2.314 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1[O-] ZINC000840962493 1315446877 /nfs/dbraw/zinc/44/68/77/1315446877.db2.gz HKQSGAWJPDBVGT-RISCZKNCSA-N 0 3 344.249 2.340 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000841322255 1315529519 /nfs/dbraw/zinc/52/95/19/1315529519.db2.gz RYNMSILVAVJEFU-UHFFFAOYSA-N 0 3 339.443 2.423 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H](O)[C@@](C)(CO)C3)ccc2O1 ZINC001249223451 1317028260 /nfs/dbraw/zinc/02/82/60/1317028260.db2.gz GSGVIYINQLKEMQ-VQIMIIECSA-N 0 3 333.428 2.142 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H](O)[C@@](C)(CO)C3)ccc2O1 ZINC001249223451 1317028264 /nfs/dbraw/zinc/02/82/64/1317028264.db2.gz GSGVIYINQLKEMQ-VQIMIIECSA-N 0 3 333.428 2.142 20 10 EECDHN CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203875502 1321980087 /nfs/dbraw/zinc/98/00/87/1321980087.db2.gz NXTHNPQBXPJAIU-OKILXGFUSA-N 0 3 334.416 2.397 20 10 EECDHN Oc1ccc(CN2CC3(C2)CCN(Cc2cccnc2)C3)cc1O ZINC001203877399 1321980780 /nfs/dbraw/zinc/98/07/80/1321980780.db2.gz FUBSNFNGGZXKAC-UHFFFAOYSA-N 0 3 325.412 2.201 20 10 EECDHN COc1cnc(O[C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)nc1 ZINC001203935598 1321994990 /nfs/dbraw/zinc/99/49/90/1321994990.db2.gz AATVCFCLACHXDD-INIZCTEOSA-N 0 3 328.416 2.205 20 10 EECDHN CN(C)c1ccc(CN2CCN(C3COC3)CC2)c2ccccc21 ZINC001204234076 1322086625 /nfs/dbraw/zinc/08/66/25/1322086625.db2.gz WRPWIORXXFDRSJ-UHFFFAOYSA-N 0 3 325.456 2.422 20 10 EECDHN COC(=O)c1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c[nH]1 ZINC001308232166 1331575854 /nfs/dbraw/zinc/57/58/54/1331575854.db2.gz QDCGCFRPHOIMQM-CQSZACIVSA-N 0 3 343.427 2.489 20 10 EECDHN Cc1n[nH]c(=O)c(CNCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC001324922936 1333787633 /nfs/dbraw/zinc/78/76/33/1333787633.db2.gz DTPBYTGNHYJGRJ-UHFFFAOYSA-N 0 3 346.406 2.065 20 10 EECDHN Cc1conc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001333514619 1336061765 /nfs/dbraw/zinc/06/17/65/1336061765.db2.gz VKLRGTYXHUJJQC-OAHLLOKOSA-N 0 3 331.420 2.473 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](C)[C@]2(CO)CCOC2)c1[O-] ZINC000862427133 1369535040 /nfs/dbraw/zinc/53/50/40/1369535040.db2.gz UERKHUBQHPQYLG-AWEZNQCLSA-N 0 3 330.222 2.046 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](C)[C@]2(CO)CCOC2)c1[O-] ZINC000862427133 1369535042 /nfs/dbraw/zinc/53/50/42/1369535042.db2.gz UERKHUBQHPQYLG-AWEZNQCLSA-N 0 3 330.222 2.046 20 10 EECDHN CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)N1CCCCC1 ZINC000906386406 783893306 /nfs/dbraw/zinc/89/33/06/783893306.db2.gz UTQKDFAEHJMELS-UHFFFAOYSA-N 0 3 345.487 2.404 20 10 EECDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(C)C ZINC000823271125 787647530 /nfs/dbraw/zinc/64/75/30/787647530.db2.gz POOMGDJUHACXTN-MRXNPFEDSA-N 0 3 348.443 2.157 20 10 EECDHN O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824828269 788330213 /nfs/dbraw/zinc/33/02/13/788330213.db2.gz MVSICBCMVGGBEM-CMPLNLGQSA-N 0 3 346.324 2.374 20 10 EECDHN O=C(N1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824828269 788330222 /nfs/dbraw/zinc/33/02/22/788330222.db2.gz MVSICBCMVGGBEM-CMPLNLGQSA-N 0 3 346.324 2.374 20 10 EECDHN COCCN1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000140235007 794164449 /nfs/dbraw/zinc/16/44/49/794164449.db2.gz IACXGPQGLDYLNF-UHFFFAOYSA-N 0 3 348.491 2.005 20 10 EECDHN Cc1cc(O)c(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1C(C)C ZINC000793565288 810412923 /nfs/dbraw/zinc/41/29/23/810412923.db2.gz CMLNEIABHDQKEL-OAHLLOKOSA-N 0 3 340.489 2.290 20 10 EECDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CN1C1CC1 ZINC000127632460 462570483 /nfs/dbraw/zinc/57/04/83/462570483.db2.gz RBITWEPQLLVGQB-OCCSQVGLSA-N 0 3 334.439 2.316 20 10 EECDHN C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185002789 463734438 /nfs/dbraw/zinc/73/44/38/463734438.db2.gz NEBAJVNEBMWWIU-ZDUSSCGKSA-N 0 3 332.444 2.204 20 10 EECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCn1cc(CO)nn1 ZINC000289893540 464100626 /nfs/dbraw/zinc/10/06/26/464100626.db2.gz QLLFMODMSRGAPJ-UHFFFAOYSA-N 0 3 338.411 2.323 20 10 EECDHN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1[O-] ZINC000284944688 464401172 /nfs/dbraw/zinc/40/11/72/464401172.db2.gz VRNXRQVTMBXUBY-WPKBUWHJSA-N 0 3 328.416 2.138 20 10 EECDHN CN1CCN(C)[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000264736526 464443566 /nfs/dbraw/zinc/44/35/66/464443566.db2.gz JBDKDSICZXJSGU-IBGZPJMESA-N 0 3 325.456 2.395 20 10 EECDHN CC[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000183349551 464853542 /nfs/dbraw/zinc/85/35/42/464853542.db2.gz PKFPERRPXGPJHA-GJZGRUSLSA-N 0 3 328.416 2.362 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@]1(CO)CCOC1 ZINC000184196470 464952189 /nfs/dbraw/zinc/95/21/89/464952189.db2.gz FXXJOZMRJOIAIM-IBGZPJMESA-N 0 3 329.396 2.212 20 10 EECDHN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000377687940 467116816 /nfs/dbraw/zinc/11/68/16/467116816.db2.gz AZUYCGMVBHNFOJ-HOTGVXAUSA-N 0 3 334.416 2.262 20 10 EECDHN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000377687940 467116818 /nfs/dbraw/zinc/11/68/18/467116818.db2.gz AZUYCGMVBHNFOJ-HOTGVXAUSA-N 0 3 334.416 2.262 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378377135 467285114 /nfs/dbraw/zinc/28/51/14/467285114.db2.gz MCUDVNDTZXCEIF-HZPDHXFCSA-N 0 3 331.416 2.222 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378377135 467285116 /nfs/dbraw/zinc/28/51/16/467285116.db2.gz MCUDVNDTZXCEIF-HZPDHXFCSA-N 0 3 331.416 2.222 20 10 EECDHN CN(C)c1ccc(CNC(=O)CN[C@@](C)(CO)C2CCCCC2)cc1 ZINC000299411185 522190175 /nfs/dbraw/zinc/19/01/75/522190175.db2.gz VYZGZJLLGCIRPL-FQEVSTJZSA-N 0 3 347.503 2.290 20 10 EECDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000771791746 577230115 /nfs/dbraw/zinc/23/01/15/577230115.db2.gz SUTZLRPTMDBVQN-UHFFFAOYSA-N 0 3 339.443 2.499 20 10 EECDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC000775653838 577441909 /nfs/dbraw/zinc/44/19/09/577441909.db2.gz CZWTYTFFTFOLPE-UHFFFAOYSA-N 0 3 346.349 2.291 20 10 EECDHN C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000777113698 577473431 /nfs/dbraw/zinc/47/34/31/577473431.db2.gz HWPYYIPDZNYPMD-GLJUWKHASA-N 0 3 341.459 2.331 20 10 EECDHN COCCOCCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765321970 577499218 /nfs/dbraw/zinc/49/92/18/577499218.db2.gz AWYXIHZMGHRVKD-CQSZACIVSA-N 0 3 342.867 2.490 20 10 EECDHN Cc1cc(NC(=O)NCc2ccccc2O)n(C2CCN(C)CC2)n1 ZINC000751010472 577746899 /nfs/dbraw/zinc/74/68/99/577746899.db2.gz HJSUEANEETUQPZ-UHFFFAOYSA-N 0 3 343.431 2.486 20 10 EECDHN CCc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891243102 676233899 /nfs/dbraw/zinc/23/38/99/676233899.db2.gz HPLOZXPBWXLFIX-QGZVFWFLSA-N 0 3 330.432 2.336 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/[C@H]2CCOC2)N(C)C)cc1 ZINC000891246231 676239824 /nfs/dbraw/zinc/23/98/24/676239824.db2.gz AYCDKHNENVIBOZ-RNDMVKOESA-N 0 3 331.460 2.064 20 10 EECDHN C[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000891249727 676244589 /nfs/dbraw/zinc/24/45/89/676244589.db2.gz VZQDVNVKJXEJSO-KYJSFNMBSA-N 0 3 333.476 2.287 20 10 EECDHN Cc1ccncc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251102 676247635 /nfs/dbraw/zinc/24/76/35/676247635.db2.gz DVTOOOAUZYBXHE-GOSISDBHSA-N 0 3 326.444 2.489 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cccnc2)N(C)C)cc1 ZINC000891253363 676248644 /nfs/dbraw/zinc/24/86/44/676248644.db2.gz RQXKKBJUNZEAGH-SFHVURJKSA-N 0 3 326.444 2.109 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCC[C@H]2CCOC2)N(C)C)cc1 ZINC000894154546 681794119 /nfs/dbraw/zinc/79/41/19/681794119.db2.gz NNMJJBSBYKJBSZ-YJBOKZPZSA-N 0 3 348.491 2.081 20 10 EECDHN COc1ccc(CN2CC=C(c3ccnn3C)CC2)c(O)c1OC ZINC000894393855 682793653 /nfs/dbraw/zinc/79/36/53/682793653.db2.gz FNWDELKXHSGVCO-UHFFFAOYSA-N 0 3 329.400 2.432 20 10 EECDHN CN(Cc1ccccc1O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892812512 683093570 /nfs/dbraw/zinc/09/35/70/683093570.db2.gz UDLUQGGZYPBVSN-KRWDZBQOSA-N 0 3 325.412 2.248 20 10 EECDHN CC[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895322115 684488611 /nfs/dbraw/zinc/48/86/11/684488611.db2.gz ZDJGOLKMCCEJTJ-KURKYZTESA-N 0 3 348.491 2.222 20 10 EECDHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H](C)O1 ZINC000899102278 693606454 /nfs/dbraw/zinc/60/64/54/693606454.db2.gz PMENBMHAJCMRKO-RVKKMQEKSA-N 0 3 348.491 2.174 20 10 EECDHN COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001272766601 1193488263 /nfs/dbraw/zinc/48/82/63/1193488263.db2.gz RKISFPAGFHYLHD-QGZVFWFLSA-N 0 3 346.471 2.455 20 10 EECDHN COCCCN1CC[C@]2(CCCN2Cc2cc(F)ccc2O)C1=O ZINC001273286061 1197955374 /nfs/dbraw/zinc/95/53/74/1197955374.db2.gz YCUCBYAZDOSFQT-GOSISDBHSA-N 0 3 336.407 2.135 20 10 EECDHN CCOc1cccc(CNC[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000865682461 1198330086 /nfs/dbraw/zinc/33/00/86/1198330086.db2.gz GAIBQMRFUNBVOE-GFCCVEGCSA-N 0 3 330.310 2.276 20 10 EECDHN COc1cc(Br)cc(CN(C)CCn2cccn2)c1O ZINC000125250168 1199111419 /nfs/dbraw/zinc/11/14/19/1199111419.db2.gz ACCLIPBPWFACPD-UHFFFAOYSA-N 0 3 340.221 2.492 20 10 EECDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c(Cn3cccn3)c2)[C@H]1OC ZINC000877351900 1199911582 /nfs/dbraw/zinc/91/15/82/1199911582.db2.gz RPEGQHZIIXAMRY-QXAKKESOSA-N 0 3 345.443 2.222 20 10 EECDHN CC(C)NC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]2CC1 ZINC001275952944 1205601522 /nfs/dbraw/zinc/60/15/22/1205601522.db2.gz PQHXLCAZBBLCCS-GASCZTMLSA-N 0 3 347.459 2.360 20 10 EECDHN CC(C)NC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]2CC1 ZINC001275952944 1205601523 /nfs/dbraw/zinc/60/15/23/1205601523.db2.gz PQHXLCAZBBLCCS-GASCZTMLSA-N 0 3 347.459 2.360 20 10 EECDHN Cc1ccc(C)c(CN2C[C@@H]3COC[C@H](C2)N3C(=O)NC(C)C)c1O ZINC001275968555 1205607841 /nfs/dbraw/zinc/60/78/41/1205607841.db2.gz CCRSQSOXKZHGQR-IYBDPMFKSA-N 0 3 347.459 2.012 20 10 EECDHN CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246852293 1213338374 /nfs/dbraw/zinc/33/83/74/1213338374.db2.gz PCQGQFDUDWKSFA-ZWKOTPCHSA-N 0 3 337.460 2.407 20 10 EECDHN CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246852293 1213338380 /nfs/dbraw/zinc/33/83/80/1213338380.db2.gz PCQGQFDUDWKSFA-ZWKOTPCHSA-N 0 3 337.460 2.407 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC[C@]2(CN(C)CCO2)C1 ZINC001276368374 1225904465 /nfs/dbraw/zinc/90/44/65/1225904465.db2.gz LYBMBILCHJRHHS-IBGZPJMESA-N 0 3 333.476 2.058 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCN(CCCF)C2)cc1 ZINC001009687151 1223333005 /nfs/dbraw/zinc/33/30/05/1223333005.db2.gz YJPMDUKAKUCMBN-CQSZACIVSA-N 0 3 335.383 2.403 20 10 EECDHN C/C(=C\C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21)c1cnccn1 ZINC000827096744 1249873637 /nfs/dbraw/zinc/87/36/37/1249873637.db2.gz ZWAAYSYFYMRPKG-YVGNARHYSA-N 0 3 338.411 2.236 20 10 EECDHN Cn1ncc(C2CC2)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000850069384 1277017091 /nfs/dbraw/zinc/01/70/91/1277017091.db2.gz MGUCWQSQRORZBP-UHFFFAOYSA-N 0 3 326.444 2.424 20 10 EECDHN CN(C)c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850405822 1277215963 /nfs/dbraw/zinc/21/59/63/1277215963.db2.gz GFHNALWLZLWUHJ-UHFFFAOYSA-N 0 3 340.471 2.399 20 10 EECDHN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(OC)c(O)cc2O)C1=O ZINC001273787789 1285864293 /nfs/dbraw/zinc/86/42/93/1285864293.db2.gz DYOSKOFSFKUTCI-YJYMSZOUSA-N 0 3 348.443 2.472 20 10 EECDHN COc1ccc(N2CCC[C@]3(CCN(CC(=O)N(C)C)C3)C2)c(C)c1 ZINC001277018087 1300882131 /nfs/dbraw/zinc/88/21/31/1300882131.db2.gz BFIVQTDQCKDDRT-HXUWFJFHSA-N 0 3 345.487 2.384 20 10 EECDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226466569 1301426196 /nfs/dbraw/zinc/42/61/96/1301426196.db2.gz AEJTZVJGIGFCOD-JQWIXIFHSA-N 0 3 347.367 2.114 20 10 EECDHN Cc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001277566858 1303919202 /nfs/dbraw/zinc/91/92/02/1303919202.db2.gz BZGJHKPFJDPUJC-MJEZEWASSA-N 0 3 344.455 2.301 20 10 EECDHN COC(=O)c1c(CN2CC[C@](C)(C(=O)OC)C2)c2ccccc2n1C ZINC001232403635 1304109443 /nfs/dbraw/zinc/10/94/43/1304109443.db2.gz AEYCUXHSEGLHGH-IBGZPJMESA-N 0 3 344.411 2.350 20 10 EECDHN C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccccc1[O-] ZINC000783505203 1304289668 /nfs/dbraw/zinc/28/96/68/1304289668.db2.gz GBBJJJBNHUUSDF-BUXKBTBVSA-N 0 3 339.395 2.298 20 10 EECDHN Oc1cc(O)c(CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cc1O ZINC001233484052 1304477527 /nfs/dbraw/zinc/47/75/27/1304477527.db2.gz WIHLIEZPBGGZRL-HNAYVOBHSA-N 0 3 349.427 2.354 20 10 EECDHN CC1(C)CN(Cc2ccc(I)cc2[O-])CC[NH2+]1 ZINC001235838075 1305415347 /nfs/dbraw/zinc/41/53/47/1305415347.db2.gz OZHFPUMCPJXAFR-UHFFFAOYSA-N 0 3 346.212 2.181 20 10 EECDHN COc1cc(C)c(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001236811435 1305686072 /nfs/dbraw/zinc/68/60/72/1305686072.db2.gz OIRJWXPNNDYRDO-CALCHBBNSA-N 0 3 332.444 2.004 20 10 EECDHN COC[C@]12COC[C@H]1C[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237110759 1305797036 /nfs/dbraw/zinc/79/70/36/1305797036.db2.gz JYXAMVNJHVOHAI-IAQYHMDHSA-N 0 3 347.333 2.386 20 10 EECDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C2 ZINC001237110759 1305797046 /nfs/dbraw/zinc/79/70/46/1305797046.db2.gz JYXAMVNJHVOHAI-IAQYHMDHSA-N 0 3 347.333 2.386 20 10 EECDHN COC[C@]12COC[C@H]1CN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237110759 1305797054 /nfs/dbraw/zinc/79/70/54/1305797054.db2.gz JYXAMVNJHVOHAI-IAQYHMDHSA-N 0 3 347.333 2.386 20 10 EECDHN O=S1(=O)CCN(c2ccc(CN3CCC4(CC4)CC3)cc2)CC1 ZINC001237208478 1305848864 /nfs/dbraw/zinc/84/88/64/1305848864.db2.gz RDNKXSXTIDSZGG-UHFFFAOYSA-N 0 3 334.485 2.297 20 10 EECDHN Cc1cc(F)cc(CN2CC[C@H]3O[C@H](C(=O)NC(C)C)C[C@H]32)c1O ZINC001238059912 1306204512 /nfs/dbraw/zinc/20/45/12/1306204512.db2.gz FMSNIONADBGGNP-OAGGEKHMSA-N 0 3 336.407 2.096 20 10 EECDHN CC[C@H](C)C[C@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001121926178 1310174713 /nfs/dbraw/zinc/17/47/13/1310174713.db2.gz KCOUPHHGHAMTJH-BBRMVZONSA-N 0 3 337.439 2.246 20 10 EECDHN CCN1CCN(c2ccc(CN3CCC[C@@H](F)C(=O)C3)cc2)CC1 ZINC001140302393 1314860748 /nfs/dbraw/zinc/86/07/48/1314860748.db2.gz QTPNVUMAXYCLPA-GOSISDBHSA-N 0 3 333.451 2.332 20 10 EECDHN CCN1CCN(c2ccc(CN3CCC[C@H](F)C(=O)C3)cc2)CC1 ZINC001140302394 1314860854 /nfs/dbraw/zinc/86/08/54/1314860854.db2.gz QTPNVUMAXYCLPA-SFHVURJKSA-N 0 3 333.451 2.332 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3ccncc3)C2)c(OC)c1 ZINC001141029656 1315021038 /nfs/dbraw/zinc/02/10/38/1315021038.db2.gz YPZPPCRLIVHKGN-CQSZACIVSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(OC)c1 ZINC001141029656 1315021043 /nfs/dbraw/zinc/02/10/43/1315021043.db2.gz YPZPPCRLIVHKGN-CQSZACIVSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(OC)c1 ZINC001141029656 1315021048 /nfs/dbraw/zinc/02/10/48/1315021048.db2.gz YPZPPCRLIVHKGN-CQSZACIVSA-N 0 3 330.384 2.458 20 10 EECDHN [NH3+][C@H](Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccccc1[O-] ZINC001249339709 1317056956 /nfs/dbraw/zinc/05/69/56/1317056956.db2.gz RNMWWGWMVVYAHJ-SNVBAGLBSA-N 0 3 345.290 2.127 20 10 EECDHN CCOC(=O)N1CCC(N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256245984 1318690613 /nfs/dbraw/zinc/69/06/13/1318690613.db2.gz PULJISPXBFOVAS-UHFFFAOYSA-N 0 3 334.416 2.467 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001203552548 1321911052 /nfs/dbraw/zinc/91/10/52/1321911052.db2.gz NWWDLMAVJOGERQ-HKUYNNGSSA-N 0 3 343.427 2.039 20 10 EECDHN [O-]c1ccccc1C[N@H+]1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001203552548 1321911054 /nfs/dbraw/zinc/91/10/54/1321911054.db2.gz NWWDLMAVJOGERQ-HKUYNNGSSA-N 0 3 343.427 2.039 20 10 EECDHN COc1cccc(CN2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1O ZINC001203593181 1321918848 /nfs/dbraw/zinc/91/88/48/1321918848.db2.gz KLOFASUBMUPKQC-DZGCQCFKSA-N 0 3 342.395 2.340 20 10 EECDHN CCOc1cccc(CN2CC[C@H](Oc3ncc(F)cn3)C2)c1O ZINC001203617322 1321924338 /nfs/dbraw/zinc/92/43/38/1321924338.db2.gz NKSRGROSKWXORV-AWEZNQCLSA-N 0 3 333.363 2.373 20 10 EECDHN CCN(C)c1ncnc2c1CC[N@H+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203622357 1321924789 /nfs/dbraw/zinc/92/47/89/1321924789.db2.gz YZUQYYQXLDOVLK-UHFFFAOYSA-N 0 3 342.443 2.248 20 10 EECDHN CCN(C)c1ncnc2c1CC[N@@H+](Cc1ccc(OC)cc1[O-])CC2 ZINC001203622357 1321924791 /nfs/dbraw/zinc/92/47/91/1321924791.db2.gz YZUQYYQXLDOVLK-UHFFFAOYSA-N 0 3 342.443 2.248 20 10 EECDHN Nc1ccc(CNCc2ccccc2OCCN2CCOCC2)cc1 ZINC001356083614 1338790795 /nfs/dbraw/zinc/79/07/95/1338790795.db2.gz VITJXDFQORBHKU-UHFFFAOYSA-N 0 3 341.455 2.270 20 10 EECDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000815557319 1368035581 /nfs/dbraw/zinc/03/55/81/1368035581.db2.gz QQYRRWBNULRYKK-CYBMUJFWSA-N 0 3 326.462 2.084 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846824288 790598699 /nfs/dbraw/zinc/59/86/99/790598699.db2.gz LXLISCZHQXKHRK-GOSISDBHSA-N 0 3 336.432 2.196 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846824288 790598706 /nfs/dbraw/zinc/59/87/06/790598706.db2.gz LXLISCZHQXKHRK-GOSISDBHSA-N 0 3 336.432 2.196 20 10 EECDHN COc1cc(Br)cc(C[NH2+]C[C@@H](O)C2CCC2)c1[O-] ZINC000825240025 788531465 /nfs/dbraw/zinc/53/14/65/788531465.db2.gz FRCHDIOQIAUVLK-GFCCVEGCSA-N 0 3 330.222 2.414 20 10 EECDHN COc1cc([O-])c(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206200974 797475937 /nfs/dbraw/zinc/47/59/37/797475937.db2.gz UUAYXFFZAWDHDS-RYUDHWBXSA-N 0 3 347.228 2.425 20 10 EECDHN CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000113332634 237166541 /nfs/dbraw/zinc/16/65/41/237166541.db2.gz LBAPQFODUCJIHB-HNNXBMFYSA-N 0 3 339.867 2.078 20 10 EECDHN CCn1nccc1N1CCC[C@H](NCc2ccc(N(C)C)cc2)C1=O ZINC000191636513 237264309 /nfs/dbraw/zinc/26/43/09/237264309.db2.gz BSADRMQAVXYPOK-KRWDZBQOSA-N 0 3 341.459 2.254 20 10 EECDHN Cc1cc(C(=O)NC[C@](C)(O)CN(C)C)c(C)n1-c1ccccc1C ZINC000153398987 462646462 /nfs/dbraw/zinc/64/64/62/462646462.db2.gz CXHPJDPSBVUHFC-FQEVSTJZSA-N 0 3 343.471 2.445 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)[C@H]1CC)cc2=O ZINC000185620262 463851637 /nfs/dbraw/zinc/85/16/37/463851637.db2.gz NJNHDDSVGCRAHQ-SMDDNHRTSA-N 0 3 332.404 2.232 20 10 EECDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](N)C(C)C ZINC000269129418 463884083 /nfs/dbraw/zinc/88/40/83/463884083.db2.gz UXHLWMJIPVSTHE-CYBMUJFWSA-N 0 3 329.238 2.487 20 10 EECDHN CC(C)(N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000269261381 463932350 /nfs/dbraw/zinc/93/23/50/463932350.db2.gz MQEXOKGMMSNVKK-NSHDSACASA-N 0 3 327.375 2.110 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@H](c3nc(C)no3)C2)cc1OC ZINC000179476310 464142874 /nfs/dbraw/zinc/14/28/74/464142874.db2.gz GUKDPGJUNWOYAQ-GFCCVEGCSA-N 0 3 333.388 2.480 20 10 EECDHN C[C@H](O)CN1CCN(Cc2cc(Br)ccc2O)[C@H](C)C1 ZINC000284455899 464198279 /nfs/dbraw/zinc/19/82/79/464198279.db2.gz USCANTPFUVJUBX-NEPJUHHUSA-N 0 3 343.265 2.042 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@]2(C)CCCO)cc1 ZINC000271193554 464286760 /nfs/dbraw/zinc/28/67/60/464286760.db2.gz NVVJISVVQSAAIX-FQEVSTJZSA-N 0 3 347.503 2.338 20 10 EECDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237348254 464306774 /nfs/dbraw/zinc/30/67/74/464306774.db2.gz MJMLMTZTVRYINZ-CYBMUJFWSA-N 0 3 334.441 2.493 20 10 EECDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000180681298 464368264 /nfs/dbraw/zinc/36/82/64/464368264.db2.gz PFCFEBAYSLEUDX-SNVBAGLBSA-N 0 3 329.238 2.277 20 10 EECDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000180681298 464368269 /nfs/dbraw/zinc/36/82/69/464368269.db2.gz PFCFEBAYSLEUDX-SNVBAGLBSA-N 0 3 329.238 2.277 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000180727935 464381184 /nfs/dbraw/zinc/38/11/84/464381184.db2.gz UTOGCHULXOEOIB-SUMWQHHRSA-N 0 3 331.416 2.080 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000180727935 464381191 /nfs/dbraw/zinc/38/11/91/464381191.db2.gz UTOGCHULXOEOIB-SUMWQHHRSA-N 0 3 331.416 2.080 20 10 EECDHN O=S(=O)(c1ccc(C[NH2+]Cc2ccccc2[O-])cc1)N1CCCC1 ZINC000238106979 464432738 /nfs/dbraw/zinc/43/27/38/464432738.db2.gz XOWGUMKHKQMONP-UHFFFAOYSA-N 0 3 346.452 2.467 20 10 EECDHN CCCOc1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c([O-])c1 ZINC000174640531 464433241 /nfs/dbraw/zinc/43/32/41/464433241.db2.gz OIUDZMYHUAMRAX-UHFFFAOYSA-N 0 3 329.462 2.484 20 10 EECDHN O=C1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCN1 ZINC000295003319 464675610 /nfs/dbraw/zinc/67/56/10/464675610.db2.gz RYIYVBFBLFULRD-NVXWUHKLSA-N 0 3 332.444 2.290 20 10 EECDHN O=C1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCN1 ZINC000295003319 464675615 /nfs/dbraw/zinc/67/56/15/464675615.db2.gz RYIYVBFBLFULRD-NVXWUHKLSA-N 0 3 332.444 2.290 20 10 EECDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000286022320 464777738 /nfs/dbraw/zinc/77/77/38/464777738.db2.gz JVBSXFPHXIBVCA-MRXNPFEDSA-N 0 3 344.411 2.448 20 10 EECDHN C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1[O-] ZINC000183602355 464885447 /nfs/dbraw/zinc/88/54/47/464885447.db2.gz BIIKZICJKSMINB-LLVKDONJSA-N 0 3 348.415 2.307 20 10 EECDHN C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000282851234 464974220 /nfs/dbraw/zinc/97/42/20/464974220.db2.gz UBXJSYNGHYWVRK-HNNXBMFYSA-N 0 3 349.471 2.480 20 10 EECDHN COc1c([O-])c(C[N@@H+]2C[C@@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000377696811 467119076 /nfs/dbraw/zinc/11/90/76/467119076.db2.gz NOQLQFRHVRNMBK-OCCSQVGLSA-N 0 3 335.404 2.368 20 10 EECDHN COc1c([O-])c(C[N@H+]2C[C@@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000377696811 467119078 /nfs/dbraw/zinc/11/90/78/467119078.db2.gz NOQLQFRHVRNMBK-OCCSQVGLSA-N 0 3 335.404 2.368 20 10 EECDHN C[C@H](O)C[C@@H]1CCCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298384942 525789858 /nfs/dbraw/zinc/78/98/58/525789858.db2.gz DLOWYSBRAQIFLU-LPHOPBHVSA-N 0 3 347.503 2.384 20 10 EECDHN CCN(CC)C(=O)CNCc1cc(Br)cc(OC)c1O ZINC000725848574 576067672 /nfs/dbraw/zinc/06/76/72/576067672.db2.gz XCVFNVRFFXTWFJ-UHFFFAOYSA-N 0 3 345.237 2.121 20 10 EECDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 ZINC000775368666 577436060 /nfs/dbraw/zinc/43/60/60/577436060.db2.gz DMQVICMYGSLDNX-CMPLNLGQSA-N 0 3 346.431 2.429 20 10 EECDHN O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])N1CCOCC1 ZINC000776498776 577461006 /nfs/dbraw/zinc/46/10/06/577461006.db2.gz YEGDCPJMNMNNEQ-UHFFFAOYSA-N 0 3 326.396 2.008 20 10 EECDHN CNC(=O)CCCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765402591 577500313 /nfs/dbraw/zinc/50/03/13/577500313.db2.gz CRAALTVOWRYRFA-CYBMUJFWSA-N 0 3 339.867 2.353 20 10 EECDHN CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000766033382 577511526 /nfs/dbraw/zinc/51/15/26/577511526.db2.gz YPUUGZAIZXKPNK-SUMWQHHRSA-N 0 3 349.427 2.372 20 10 EECDHN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000766033382 577511527 /nfs/dbraw/zinc/51/15/27/577511527.db2.gz YPUUGZAIZXKPNK-SUMWQHHRSA-N 0 3 349.427 2.372 20 10 EECDHN C[N@H+](CCOc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441965 577555635 /nfs/dbraw/zinc/55/56/35/577555635.db2.gz MULMUYIUSCVAGT-KRWDZBQOSA-N 0 3 333.359 2.468 20 10 EECDHN C[N@@H+](CCOc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441965 577555636 /nfs/dbraw/zinc/55/56/36/577555636.db2.gz MULMUYIUSCVAGT-KRWDZBQOSA-N 0 3 333.359 2.468 20 10 EECDHN CN(CC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccccc1 ZINC000768452737 577556096 /nfs/dbraw/zinc/55/60/96/577556096.db2.gz SCCXFBFZDZAXHE-GOSISDBHSA-N 0 3 328.412 2.386 20 10 EECDHN CN(CC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccccc1 ZINC000768452737 577556097 /nfs/dbraw/zinc/55/60/97/577556097.db2.gz SCCXFBFZDZAXHE-GOSISDBHSA-N 0 3 328.412 2.386 20 10 EECDHN Cc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)c(C)n1-c1cccc(C)c1 ZINC000762719133 577706501 /nfs/dbraw/zinc/70/65/01/577706501.db2.gz PNCUWYKYORTDSI-FQEVSTJZSA-N 0 3 341.455 2.199 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cn2)N(C)C)cc1 ZINC000891243100 676233861 /nfs/dbraw/zinc/23/38/61/676233861.db2.gz HOHQSQZNYAWNPY-SFHVURJKSA-N 0 3 344.434 2.248 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000891245277 676238229 /nfs/dbraw/zinc/23/82/29/676238229.db2.gz BUAOWPNJYPKYLA-DSLXNQLJSA-N 0 3 345.487 2.287 20 10 EECDHN COC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCCC1 ZINC000891249353 676243889 /nfs/dbraw/zinc/24/38/89/676243889.db2.gz RIVBSZBSGJGYRW-QGZVFWFLSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCCOC2)N(C)C)cc1 ZINC000891249116 676245032 /nfs/dbraw/zinc/24/50/32/676245032.db2.gz QDLZKLFVPOGSBC-QAPCUYQASA-N 0 3 333.476 2.288 20 10 EECDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nc(C)n1 ZINC000891249025 676245190 /nfs/dbraw/zinc/24/51/90/676245190.db2.gz PAPPSNLWWFRKAM-GOSISDBHSA-N 0 3 341.459 2.192 20 10 EECDHN Cc1noc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251225 676247678 /nfs/dbraw/zinc/24/76/78/676247678.db2.gz BARTUEGBLRHRLS-MRXNPFEDSA-N 0 3 330.432 2.390 20 10 EECDHN CCC1(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)COC1 ZINC000895226320 684314570 /nfs/dbraw/zinc/31/45/70/684314570.db2.gz MFDRYOTZWXSMJC-KRWDZBQOSA-N 0 3 348.491 2.081 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=S)NCc2ccon2)N(C)C)cc1 ZINC000899725757 693846959 /nfs/dbraw/zinc/84/69/59/693846959.db2.gz ZVZAKIFQWYWSQV-INIZCTEOSA-N 0 3 347.488 2.008 20 10 EECDHN COCCCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101022 693612636 /nfs/dbraw/zinc/61/26/36/693612636.db2.gz GWUWPLAWRLIKBF-QGZVFWFLSA-N 0 3 336.480 2.033 20 10 EECDHN CO[C@H](C)CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100541 693612688 /nfs/dbraw/zinc/61/26/88/693612688.db2.gz AKOCNJIGPFHPAB-RHSMWYFYSA-N 0 3 336.480 2.032 20 10 EECDHN O=C(c1cc(O)c([O-])c(O)c1)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001270070091 1184824705 /nfs/dbraw/zinc/82/47/05/1184824705.db2.gz UWTNDXTWVROPNX-UHFFFAOYSA-N 0 3 346.427 2.284 20 10 EECDHN CCCCN1C(=O)C[C@]2(CCCN(Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272903565 1193598495 /nfs/dbraw/zinc/59/84/95/1193598495.db2.gz WOWNFALPUMOPCS-IBGZPJMESA-N 0 3 346.427 2.239 20 10 EECDHN COCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272387057 1190796789 /nfs/dbraw/zinc/79/67/89/1190796789.db2.gz SCIBZAFLNBPITO-IBGZPJMESA-N 0 3 348.443 2.091 20 10 EECDHN O=C1N(CC2CCOCC2)CC[C@@]12CCC[N@H+]2Cc1ccccc1[O-] ZINC001272618487 1190933039 /nfs/dbraw/zinc/93/30/39/1190933039.db2.gz JHYGBGLDQXTLIV-FQEVSTJZSA-N 0 3 344.455 2.386 20 10 EECDHN O=C1N(CC2CCOCC2)CC[C@@]12CCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618487 1190933041 /nfs/dbraw/zinc/93/30/41/1190933041.db2.gz JHYGBGLDQXTLIV-FQEVSTJZSA-N 0 3 344.455 2.386 20 10 EECDHN CN1CC[NH+](C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000877746588 1200070139 /nfs/dbraw/zinc/07/01/39/1200070139.db2.gz SEMLNLVOHOFRSB-UHFFFAOYSA-N 0 3 341.858 2.397 20 10 EECDHN CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121045330 1201513241 /nfs/dbraw/zinc/51/32/41/1201513241.db2.gz PCQGQFDUDWKSFA-ROUUACIJSA-N 0 3 337.460 2.407 20 10 EECDHN CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121045330 1201513246 /nfs/dbraw/zinc/51/32/46/1201513246.db2.gz PCQGQFDUDWKSFA-ROUUACIJSA-N 0 3 337.460 2.407 20 10 EECDHN COc1cccc([C@@H](C)NC[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000866436020 1201516937 /nfs/dbraw/zinc/51/69/37/1201516937.db2.gz IVUYRTYGRBQZOH-BXKDBHETSA-N 0 3 330.310 2.447 20 10 EECDHN Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4[O-])[C@@H]3C2)n(C)n1 ZINC001275267829 1205294594 /nfs/dbraw/zinc/29/45/94/1205294594.db2.gz YHTMYEXWYIRWNK-MAUKXSAKSA-N 0 3 326.444 2.140 20 10 EECDHN Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4[O-])[C@@H]3C2)n(C)n1 ZINC001275267829 1205294596 /nfs/dbraw/zinc/29/45/96/1205294596.db2.gz YHTMYEXWYIRWNK-MAUKXSAKSA-N 0 3 326.444 2.140 20 10 EECDHN Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(F)ccc2[O-])C3)n(C)n1 ZINC001275912601 1205581977 /nfs/dbraw/zinc/58/19/77/1205581977.db2.gz CVETWWYQPGHIRQ-KDOFPFPSSA-N 0 3 344.434 2.280 20 10 EECDHN Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cc(F)ccc2[O-])C3)n(C)n1 ZINC001275912601 1205581978 /nfs/dbraw/zinc/58/19/78/1205581978.db2.gz CVETWWYQPGHIRQ-KDOFPFPSSA-N 0 3 344.434 2.280 20 10 EECDHN CCn1nccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000930707384 1206577089 /nfs/dbraw/zinc/57/70/89/1206577089.db2.gz XFIZSEWEKHNBHH-MRXNPFEDSA-N 0 3 344.463 2.393 20 10 EECDHN CN(C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000779489659 1210395690 /nfs/dbraw/zinc/39/56/90/1210395690.db2.gz RGVBPXPNGJRMGB-KAMXEHQASA-N 0 3 340.423 2.400 20 10 EECDHN CCOc1ccc(N2CCN(Cc3cc(C)ccc3O)CC2)nn1 ZINC000827797271 1248763215 /nfs/dbraw/zinc/76/32/15/1248763215.db2.gz AHUIAGYORHAUQO-UHFFFAOYSA-N 0 3 328.416 2.212 20 10 EECDHN C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000903290771 1240187323 /nfs/dbraw/zinc/18/73/23/1240187323.db2.gz FHHGSWXTOFITSH-WCQYABFASA-N 0 3 342.436 2.095 20 10 EECDHN CC[C@H](C)NC(=O)[C@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001273842253 1286683191 /nfs/dbraw/zinc/68/31/91/1286683191.db2.gz BRIBGKHCTGKEGE-GXTWGEPZSA-N 0 3 348.443 2.320 20 10 EECDHN COc1cc(CN2CC[C@@H](CO)[C@H]2C)c(O)cc1Br ZINC001236749094 1305657435 /nfs/dbraw/zinc/65/74/35/1305657435.db2.gz YMQQQBXIKMPKHV-ZJUUUORDSA-N 0 3 330.222 2.366 20 10 EECDHN COc1ccc(Br)c(CN2CC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC001231553550 1303842676 /nfs/dbraw/zinc/84/26/76/1303842676.db2.gz YJVNARLOAIBZQO-NSHDSACASA-N 0 3 341.249 2.443 20 10 EECDHN COc1ccc(Br)c(CN2CC[N@H+]3CCC[C@H]3C2)c1[O-] ZINC001231553550 1303842682 /nfs/dbraw/zinc/84/26/82/1303842682.db2.gz YJVNARLOAIBZQO-NSHDSACASA-N 0 3 341.249 2.443 20 10 EECDHN COc1ccc(Br)c(CN2CCC3(COC3)C2)c1O ZINC001231550705 1303842704 /nfs/dbraw/zinc/84/27/04/1303842704.db2.gz PMPAMMLDIYFBRP-UHFFFAOYSA-N 0 3 328.206 2.386 20 10 EECDHN C[C@@H]1CN(Cc2cc(O)c(O)cc2O)CCC[C@@]1(O)C(F)(F)F ZINC001233483275 1304476902 /nfs/dbraw/zinc/47/69/02/1304476902.db2.gz TZRPFASVZLHFFJ-OTYXRUKQSA-N 0 3 335.322 2.329 20 10 EECDHN COc1ccccc1O[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485476 1304478819 /nfs/dbraw/zinc/47/88/19/1304478819.db2.gz XERPTVKPKUZHST-CYBMUJFWSA-N 0 3 331.368 2.465 20 10 EECDHN COc1cc(O)c(CN2C[C@@H]3COC[C@H](C2)C3(F)F)cc1OC ZINC001236755403 1305659678 /nfs/dbraw/zinc/65/96/78/1305659678.db2.gz CYTJMEUSINHQND-TXEJJXNPSA-N 0 3 329.343 2.123 20 10 EECDHN CCN1CCN(Cc2cc(O)c(Br)cc2O)C[C@H]1C ZINC001236765395 1305666622 /nfs/dbraw/zinc/66/66/22/1305666622.db2.gz NZQRSSFZUDZSCF-SNVBAGLBSA-N 0 3 329.238 2.386 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001236807983 1305683703 /nfs/dbraw/zinc/68/37/03/1305683703.db2.gz JBWWAAFNHLZAPB-LJQANCHMSA-N 0 3 340.427 2.354 20 10 EECDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c([O-])c1 ZINC001236807983 1305683707 /nfs/dbraw/zinc/68/37/07/1305683707.db2.gz JBWWAAFNHLZAPB-LJQANCHMSA-N 0 3 340.427 2.354 20 10 EECDHN COc1cc(C)c(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c([O-])c1 ZINC001236809215 1305685180 /nfs/dbraw/zinc/68/51/80/1305685180.db2.gz FPKKHPBKYUYCES-MRXNPFEDSA-N 0 3 332.444 2.400 20 10 EECDHN O=S1(=O)CCN(c2ccc(CN(CC3CC3)C3CC3)cc2)CC1 ZINC001237220663 1305855708 /nfs/dbraw/zinc/85/57/08/1305855708.db2.gz QBEFIHVBGDYUNY-UHFFFAOYSA-N 0 3 334.485 2.296 20 10 EECDHN CCc1[nH]ncc1CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC001237654289 1306030718 /nfs/dbraw/zinc/03/07/18/1306030718.db2.gz FJHKCRPMARPBST-UHFFFAOYSA-N 0 3 330.432 2.312 20 10 EECDHN O=C(c1cc(O)c([O-])c(O)c1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161432283 1320498724 /nfs/dbraw/zinc/49/87/24/1320498724.db2.gz CAALEJXIPCNLFJ-UHFFFAOYSA-N 0 3 342.395 2.198 20 10 EECDHN CCN(C(C)=O)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500539 1314623220 /nfs/dbraw/zinc/62/32/20/1314623220.db2.gz ZPJMTTHILPQLNT-UHFFFAOYSA-N 0 3 345.487 2.356 20 10 EECDHN [O-]c1ccc(F)cc1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001140053907 1314806032 /nfs/dbraw/zinc/80/60/32/1314806032.db2.gz FAHFVGRKDSCANL-HZPDHXFCSA-N 0 3 327.403 2.490 20 10 EECDHN CC[C@@H]1[N@H+](Cc2c([O-])cc(OC)cc2OC)CCC[C@]12CCC(=O)N2 ZINC001141035000 1315022648 /nfs/dbraw/zinc/02/26/48/1315022648.db2.gz YJDPZZOQJBGBLQ-HKUYNNGSSA-N 0 3 348.443 2.433 20 10 EECDHN CC[C@@H]1[N@@H+](Cc2c([O-])cc(OC)cc2OC)CCC[C@]12CCC(=O)N2 ZINC001141035000 1315022649 /nfs/dbraw/zinc/02/26/49/1315022649.db2.gz YJDPZZOQJBGBLQ-HKUYNNGSSA-N 0 3 348.443 2.433 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1[O-] ZINC000840975541 1315449464 /nfs/dbraw/zinc/44/94/64/1315449464.db2.gz PEFGCUYYXPIRLH-UHFFFAOYSA-N 0 3 347.864 2.359 20 10 EECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@]1(O)CCc2ccccc21 ZINC000842624111 1315736268 /nfs/dbraw/zinc/73/62/68/1315736268.db2.gz NBVMEQRJDLGOED-ICSRJNTNSA-N 0 3 341.407 2.084 20 10 EECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@]1(O)CCc2ccccc21 ZINC000842624111 1315736269 /nfs/dbraw/zinc/73/62/69/1315736269.db2.gz NBVMEQRJDLGOED-ICSRJNTNSA-N 0 3 341.407 2.084 20 10 EECDHN COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843435655 1315915261 /nfs/dbraw/zinc/91/52/61/1315915261.db2.gz XANRCRZKCCCZQI-ROUUACIJSA-N 0 3 341.407 2.415 20 10 EECDHN COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843435655 1315915264 /nfs/dbraw/zinc/91/52/64/1315915264.db2.gz XANRCRZKCCCZQI-ROUUACIJSA-N 0 3 341.407 2.415 20 10 EECDHN O=C(c1ccccc1)N1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203877939 1321980488 /nfs/dbraw/zinc/98/04/88/1321980488.db2.gz LSISJNCAWJXDNK-CALCHBBNSA-N 0 3 338.407 2.302 20 10 EECDHN Cc1noc([C@@H]2C[C@@H]3CCN(Cc4ccc(O)cc4O)C[C@H]3O2)n1 ZINC001204272986 1322098745 /nfs/dbraw/zinc/09/87/45/1322098745.db2.gz INPOWANEIBJLBW-KNXALSJPSA-N 0 3 331.372 2.141 20 10 EECDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])C[C@@H]1c1ccccc1 ZINC001204281773 1322102998 /nfs/dbraw/zinc/10/29/98/1322102998.db2.gz IQXFQCNQGIVUMU-SJORKVTESA-N 0 3 327.380 2.486 20 10 EECDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])C[C@@H]1c1ccccc1 ZINC001204281773 1322103002 /nfs/dbraw/zinc/10/30/02/1322103002.db2.gz IQXFQCNQGIVUMU-SJORKVTESA-N 0 3 327.380 2.486 20 10 EECDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N(CC)CC)c(F)c1 ZINC001261482445 1322113264 /nfs/dbraw/zinc/11/32/64/1322113264.db2.gz MKQJZVMDVZFZGH-KRWDZBQOSA-N 0 3 337.439 2.009 20 10 EECDHN C[C@@H]1CCN(Cc2ccc(I)cc2[O-])C[C@@H]1[NH3+] ZINC001205881067 1323330041 /nfs/dbraw/zinc/33/00/41/1323330041.db2.gz WBRUOZGQNMVDSP-SKDRFNHKSA-N 0 3 346.212 2.166 20 10 EECDHN COC(=O)c1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c[nH]1 ZINC001308232162 1331575669 /nfs/dbraw/zinc/57/56/69/1331575669.db2.gz QDCGCFRPHOIMQM-AWEZNQCLSA-N 0 3 343.427 2.489 20 10 EECDHN COc1cc(C)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC001308780472 1331605079 /nfs/dbraw/zinc/60/50/79/1331605079.db2.gz JRWRHFPEQGFQFO-ZDUSSCGKSA-N 0 3 347.436 2.370 20 10 EECDHN Cn1c(C2SC=CC2=O)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC001341279918 1337288641 /nfs/dbraw/zinc/28/86/41/1337288641.db2.gz JKGWDEUPBFUBBT-LBPRGKRZSA-N 0 3 333.461 2.314 20 10 EECDHN CO[C@H](C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001355311630 1338705506 /nfs/dbraw/zinc/70/55/06/1338705506.db2.gz GKVRRMKIEFCTNR-PBHICJAKSA-N 0 3 336.480 2.080 20 10 EECDHN CCN(CC)c1ccc(CN2CC[C@H]3CNC(=O)[C@H]3C2)c(OC)c1 ZINC001138389229 1372389016 /nfs/dbraw/zinc/38/90/16/1372389016.db2.gz GPFKXQVVUSWUGE-YOEHRIQHSA-N 0 3 331.460 2.109 20 10 EECDHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CCC(C)(C)C2)cc1C ZINC001755638444 1407698652 /nfs/dbraw/zinc/69/86/52/1407698652.db2.gz VBCZVARBSYPDCR-IAGOWNOFSA-N 0 3 348.487 2.397 20 10 EECDHN CCN(CC)CC(=O)NCCC1=CCN(c2cc(C)nc(C)n2)CC1 ZINC001089834550 777424494 /nfs/dbraw/zinc/42/44/94/777424494.db2.gz CVAVRKAHSGQSSR-UHFFFAOYSA-N 0 3 345.491 2.078 20 10 EECDHN COCCN(C)C[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000846805503 790626129 /nfs/dbraw/zinc/62/61/29/790626129.db2.gz XNPOGLHZSWRXBO-SFHVURJKSA-N 0 3 336.476 2.076 20 10 EECDHN COCCN(C)C[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000846805503 790626139 /nfs/dbraw/zinc/62/61/39/790626139.db2.gz XNPOGLHZSWRXBO-SFHVURJKSA-N 0 3 336.476 2.076 20 10 EECDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccccc2OC)c1 ZINC000182425755 778942694 /nfs/dbraw/zinc/94/26/94/778942694.db2.gz ZNMVHKOBIXLQKP-ZDUSSCGKSA-N 0 3 344.411 2.376 20 10 EECDHN CCN1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816535460 784103895 /nfs/dbraw/zinc/10/38/95/784103895.db2.gz PCNQOIPJEDHRSO-LBPRGKRZSA-N 0 3 329.847 2.300 20 10 EECDHN COC[C@@]1(CO)CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000825158724 788489417 /nfs/dbraw/zinc/48/94/17/788489417.db2.gz XGWWJSHZERWTCX-HNNXBMFYSA-N 0 3 344.249 2.294 20 10 EECDHN COC[C@@]1(CO)CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000825158724 788489413 /nfs/dbraw/zinc/48/94/13/788489413.db2.gz XGWWJSHZERWTCX-HNNXBMFYSA-N 0 3 344.249 2.294 20 10 EECDHN COC[C@@]1(CO)CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000825158724 788489421 /nfs/dbraw/zinc/48/94/21/788489421.db2.gz XGWWJSHZERWTCX-HNNXBMFYSA-N 0 3 344.249 2.294 20 10 EECDHN FC(F)(F)[C@@H](CNCc1ccc2c(c1)CCCO2)N1CCOCC1 ZINC000922124467 799034790 /nfs/dbraw/zinc/03/47/90/799034790.db2.gz SMIINYXTXZCPEM-MRXNPFEDSA-N 0 3 344.377 2.364 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000092011562 462919286 /nfs/dbraw/zinc/91/92/86/462919286.db2.gz PSYCKZAAUFUNTR-WMLDXEAASA-N 0 3 331.416 2.080 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000092011562 462919290 /nfs/dbraw/zinc/91/92/90/462919290.db2.gz PSYCKZAAUFUNTR-WMLDXEAASA-N 0 3 331.416 2.080 20 10 EECDHN COc1cc(Br)cc(CN2CC[C@@H]([NH3+])C[C@H]2C)c1[O-] ZINC000097095756 463321816 /nfs/dbraw/zinc/32/18/16/463321816.db2.gz UBPAARONCGZSRS-BXKDBHETSA-N 0 3 329.238 2.475 20 10 EECDHN CC(C)N(CCN(C)C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000151808192 463594635 /nfs/dbraw/zinc/59/46/35/463594635.db2.gz OYPBMTWUGLBRKL-JXMROGBWSA-N 0 3 345.487 2.335 20 10 EECDHN C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185002808 463734283 /nfs/dbraw/zinc/73/42/83/463734283.db2.gz NEBAJVNEBMWWIU-CYBMUJFWSA-N 0 3 332.444 2.204 20 10 EECDHN C[C@H](NCCN1C(=O)CNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000185202658 463776950 /nfs/dbraw/zinc/77/69/50/463776950.db2.gz MLGPSNPYTVPLKE-ZDUSSCGKSA-N 0 3 348.422 2.018 20 10 EECDHN COc1ccc([O-])c(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000289591277 464086197 /nfs/dbraw/zinc/08/61/97/464086197.db2.gz KKHHRZIUOIMRAW-UHFFFAOYSA-N 0 3 340.379 2.177 20 10 EECDHN CC[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000280075655 464185617 /nfs/dbraw/zinc/18/56/17/464185617.db2.gz LJNHMXBIKMWHQC-ZFWWWQNUSA-N 0 3 326.462 2.165 20 10 EECDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(N3CCCC3)cc2)C1(C)C ZINC000188093733 464198515 /nfs/dbraw/zinc/19/85/15/464198515.db2.gz NULRDDIJIMCGMS-XLIONFOSSA-N 0 3 345.487 2.436 20 10 EECDHN CCOc1ccc(O)c(CN2CCSC[C@@H]2CC(=O)OC)c1 ZINC000271165893 464285595 /nfs/dbraw/zinc/28/55/95/464285595.db2.gz CBJYLWNXDIMDGJ-ZDUSSCGKSA-N 0 3 325.430 2.271 20 10 EECDHN Cc1cc(CN2CCC(N3CCCNC3=O)CC2)ccc1N(C)C ZINC000293904777 464425381 /nfs/dbraw/zinc/42/53/81/464425381.db2.gz WJFSBMXZTDPANF-UHFFFAOYSA-N 0 3 330.476 2.441 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc2c(cc1[O-])CCCC2 ZINC000273360958 464711587 /nfs/dbraw/zinc/71/15/87/464711587.db2.gz AGLQDWKCABIICZ-KDOFPFPSSA-N 0 3 345.487 2.261 20 10 EECDHN CO[C@@H]1CCCC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000275181695 464765684 /nfs/dbraw/zinc/76/56/84/464765684.db2.gz DKZLBGNCOPPDFV-QZTJIDSGSA-N 0 3 333.476 2.258 20 10 EECDHN CN(C)CCOc1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000299467019 465759732 /nfs/dbraw/zinc/75/97/32/465759732.db2.gz BTQWGCNKIQDIAU-UHFFFAOYSA-N 0 3 343.427 2.332 20 10 EECDHN COc1ccc2c(c1)c1c(n2CC(=O)N2CCCNCC2)CCCC1 ZINC000653044005 471463619 /nfs/dbraw/zinc/46/36/19/471463619.db2.gz NDQODKILJPGNLA-UHFFFAOYSA-N 0 3 341.455 2.351 20 10 EECDHN CN1CCN(c2ccc(CN3CCC[C@H](n4ccnc4)C3)cc2)CC1 ZINC000775674443 577442417 /nfs/dbraw/zinc/44/24/17/577442417.db2.gz BGUSYVVCNUWOFS-FQEVSTJZSA-N 0 3 339.487 2.472 20 10 EECDHN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437615 577555570 /nfs/dbraw/zinc/55/55/70/577555570.db2.gz BGHVSHGNVZBGMF-MRXNPFEDSA-N 0 3 343.379 2.221 20 10 EECDHN C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437615 577555571 /nfs/dbraw/zinc/55/55/71/577555571.db2.gz BGHVSHGNVZBGMF-MRXNPFEDSA-N 0 3 343.379 2.221 20 10 EECDHN Cc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)c(C)n1-c1ccccc1C ZINC000762714765 577706367 /nfs/dbraw/zinc/70/63/67/577706367.db2.gz DCGJUSACNJSNRS-FQEVSTJZSA-N 0 3 341.455 2.199 20 10 EECDHN C[C@@H](CC(N)=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000763398228 577720598 /nfs/dbraw/zinc/72/05/98/577720598.db2.gz KIYYSOZRHPFEQJ-RYUDHWBXSA-N 0 3 325.840 2.091 20 10 EECDHN COc1cc([O-])c(C[N@H+](C)CCCNC(=O)C2CCC2)cc1OC ZINC000763625811 577723552 /nfs/dbraw/zinc/72/35/52/577723552.db2.gz JTUUXLQNJORIAA-UHFFFAOYSA-N 0 3 336.432 2.148 20 10 EECDHN COc1cc([O-])c(C[N@@H+](C)CCCNC(=O)C2CCC2)cc1OC ZINC000763625811 577723553 /nfs/dbraw/zinc/72/35/53/577723553.db2.gz JTUUXLQNJORIAA-UHFFFAOYSA-N 0 3 336.432 2.148 20 10 EECDHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC12CC2 ZINC000763731282 577725459 /nfs/dbraw/zinc/72/54/59/577725459.db2.gz VAMIKEQLAPLHRT-HOTGVXAUSA-N 0 3 331.412 2.469 20 10 EECDHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC12CC2 ZINC000763731282 577725460 /nfs/dbraw/zinc/72/54/60/577725460.db2.gz VAMIKEQLAPLHRT-HOTGVXAUSA-N 0 3 331.412 2.469 20 10 EECDHN C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756771559 577850052 /nfs/dbraw/zinc/85/00/52/577850052.db2.gz ZEBKXCVDKVZCJK-DMDPSCGWSA-N 0 3 342.436 2.093 20 10 EECDHN CNC(=O)COc1cccc(C[NH2+]Cc2cc(C)c(C)cc2[O-])c1 ZINC000742367494 577871931 /nfs/dbraw/zinc/87/19/31/577871931.db2.gz XIWJMJYKTGKVTC-UHFFFAOYSA-N 0 3 328.412 2.424 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)CC3(C)C)CC2)cc1 ZINC000746678121 577932407 /nfs/dbraw/zinc/93/24/07/577932407.db2.gz LTYQRACSTYCJMZ-MRXNPFEDSA-N 0 3 345.487 2.464 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)C[C@H]3C)CC2)cc1 ZINC000740882423 578108664 /nfs/dbraw/zinc/10/86/64/578108664.db2.gz IRDGSAVFJOGVHL-JKSUJKDBSA-N 0 3 331.460 2.074 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ncccc2F)N(C)C)cc1 ZINC000891247606 676242125 /nfs/dbraw/zinc/24/21/25/676242125.db2.gz IIOYORKTWBEALN-GOSISDBHSA-N 0 3 344.434 2.248 20 10 EECDHN C[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)O1 ZINC000891248548 676242781 /nfs/dbraw/zinc/24/27/81/676242781.db2.gz YJXDHHCQOPNJDW-KNCCTNLNSA-N 0 3 333.476 2.285 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCCOC2)N(C)C)cc1 ZINC000891249114 676245218 /nfs/dbraw/zinc/24/52/18/676245218.db2.gz QDLZKLFVPOGSBC-MAUKXSAKSA-N 0 3 333.476 2.288 20 10 EECDHN CCOC(=O)[C@@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250523 676245462 /nfs/dbraw/zinc/24/54/62/676245462.db2.gz WNJWNTXLAJDLBD-IRXDYDNUSA-N 0 3 349.475 2.061 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCCCO2)N(C)C)cc1 ZINC000891252650 676248505 /nfs/dbraw/zinc/24/85/05/676248505.db2.gz LTGXKUHRDUIXDT-ROUUACIJSA-N 0 3 333.476 2.431 20 10 EECDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000891252880 676249079 /nfs/dbraw/zinc/24/90/79/676249079.db2.gz OHRDYUSJEGEPOO-KDOFPFPSSA-N 0 3 343.475 2.009 20 10 EECDHN COCCN(CCOC)Cc1cc(Br)cc(OC)c1O ZINC000158188784 678351899 /nfs/dbraw/zinc/35/18/99/678351899.db2.gz DLYNSKJNKBTUDH-UHFFFAOYSA-N 0 3 348.237 2.258 20 10 EECDHN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCN(C2CC2)C1 ZINC000924885154 681742961 /nfs/dbraw/zinc/74/29/61/681742961.db2.gz IYEGXUGODFLYQY-CQSZACIVSA-N 0 3 349.818 2.047 20 10 EECDHN COc1ccc(CN[C@]2(CO)CCc3ccccc32)c(O)c1OC ZINC000893205947 684131872 /nfs/dbraw/zinc/13/18/72/684131872.db2.gz NGSXEAIIESPRSC-IBGZPJMESA-N 0 3 329.396 2.333 20 10 EECDHN Cc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000897695258 691744284 /nfs/dbraw/zinc/74/42/84/691744284.db2.gz CQCHNCXFSMIXLG-SFHVURJKSA-N 0 3 336.432 2.162 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](CF)C2)N(C)C)cc1 ZINC000899097768 693601976 /nfs/dbraw/zinc/60/19/76/693601976.db2.gz GMPGRAFIECSMAW-YOEHRIQHSA-N 0 3 336.455 2.356 20 10 EECDHN Cc1ccc(CN2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c(O)c1 ZINC001272766831 1193488230 /nfs/dbraw/zinc/48/82/30/1193488230.db2.gz USAKCHIOHSDNEP-IBGZPJMESA-N 0 3 341.411 2.456 20 10 EECDHN CC(C)(C)C(=O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618856 1190933776 /nfs/dbraw/zinc/93/37/76/1190933776.db2.gz PFNBCPDYTRTWRE-HXUWFJFHSA-N 0 3 344.455 2.432 20 10 EECDHN CC(C)(C)C(=O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618856 1190933780 /nfs/dbraw/zinc/93/37/80/1190933780.db2.gz PFNBCPDYTRTWRE-HXUWFJFHSA-N 0 3 344.455 2.432 20 10 EECDHN CC[C@H](C)N1C[C@@]2(CCN(Cc3cccc(OC)c3O)C2)OCC1=O ZINC001272623299 1190936115 /nfs/dbraw/zinc/93/61/15/1190936115.db2.gz ZCMXPQJABXUSED-LIRRHRJNSA-N 0 3 348.443 2.003 20 10 EECDHN CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625275 1190937522 /nfs/dbraw/zinc/93/75/22/1190937522.db2.gz JNYADAWKOBUWMG-KUHUBIRLSA-N 0 3 348.443 2.003 20 10 EECDHN CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625275 1190937524 /nfs/dbraw/zinc/93/75/24/1190937524.db2.gz JNYADAWKOBUWMG-KUHUBIRLSA-N 0 3 348.443 2.003 20 10 EECDHN CC[C@H](C)N1CC[C@@]2(CCN(Cc3cc(O)c(O)c(OC)c3)C2)C1=O ZINC001272987417 1194295841 /nfs/dbraw/zinc/29/58/41/1194295841.db2.gz BFZIBJWZADCGIV-ORAYPTAESA-N 0 3 348.443 2.329 20 10 EECDHN O=C1C[C@]2(CN1CC(F)F)CCCC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001272988390 1194297469 /nfs/dbraw/zinc/29/74/69/1194297469.db2.gz QTDIPQSTOWSCFS-KRWDZBQOSA-N 0 3 340.370 2.320 20 10 EECDHN O=C1C[C@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001272988390 1194297470 /nfs/dbraw/zinc/29/74/70/1194297470.db2.gz QTDIPQSTOWSCFS-KRWDZBQOSA-N 0 3 340.370 2.320 20 10 EECDHN CN(C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000865435642 1198216280 /nfs/dbraw/zinc/21/62/80/1198216280.db2.gz MFGQWZCKKRJBEK-HNNXBMFYSA-N 0 3 343.383 2.160 20 10 EECDHN [O-]c1ccccc1C[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC000865442786 1198219671 /nfs/dbraw/zinc/21/96/71/1198219671.db2.gz SWCAZKWMPKHQDI-UHFFFAOYSA-N 0 3 342.439 2.393 20 10 EECDHN COc1ccc(CN[C@@H](CO)CC(F)F)cc1Cn1cccn1 ZINC000873114597 1198502979 /nfs/dbraw/zinc/50/29/79/1198502979.db2.gz MDEIWVIESYKOLU-CQSZACIVSA-N 0 3 325.359 2.046 20 10 EECDHN COC[C@H](NCc1ccc(OC)c(Cn2cccn2)c1)[C@@H]1CCCO1 ZINC000873117721 1198503816 /nfs/dbraw/zinc/50/38/16/1198503816.db2.gz YPHUJEVDKUYQDE-HKUYNNGSSA-N 0 3 345.443 2.224 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@H](N)CCC(C)C)CC2)c(OC)c1 ZINC000877228168 1199884414 /nfs/dbraw/zinc/88/44/14/1199884414.db2.gz VUEQFCFRZVCEOE-MRXNPFEDSA-N 0 3 349.475 2.116 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1Cl ZINC000826015795 1200255586 /nfs/dbraw/zinc/25/55/86/1200255586.db2.gz CTAKBXXIGDHKFY-CQSZACIVSA-N 0 3 336.823 2.275 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1Cl ZINC000826015795 1200255590 /nfs/dbraw/zinc/25/55/90/1200255590.db2.gz CTAKBXXIGDHKFY-CQSZACIVSA-N 0 3 336.823 2.275 20 10 EECDHN COc1cccc(O)c1CN[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000812782738 1200912159 /nfs/dbraw/zinc/91/21/59/1200912159.db2.gz GSJPBGOWLUJZPI-LBPRGKRZSA-N 0 3 330.359 2.435 20 10 EECDHN CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000092303539 1214418516 /nfs/dbraw/zinc/41/85/16/1214418516.db2.gz OXXWJTZNOGLCTN-OAHLLOKOSA-N 0 3 340.489 2.338 20 10 EECDHN C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc(CO)on1 ZINC000903448983 1240497549 /nfs/dbraw/zinc/49/75/49/1240497549.db2.gz UYHMZTQOAYGTKU-ACJLOTCBSA-N 0 3 332.448 2.186 20 10 EECDHN COCCN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072103207 1295242283 /nfs/dbraw/zinc/24/22/83/1295242283.db2.gz VICZRFIJNYTIFI-WFASDCNBSA-N 0 3 347.419 2.078 20 10 EECDHN CCc1ccc(CN2CC3(CCN3CCn3ccnc3)C2)c(O)c1 ZINC001276804599 1298006714 /nfs/dbraw/zinc/00/67/14/1298006714.db2.gz IOFPDWJAQLFFOZ-UHFFFAOYSA-N 0 3 326.444 2.111 20 10 EECDHN c1c[nH]c(CN2CCC3(CN(c4ccc5c(c4)OCCO5)C3)C2)c1 ZINC001277013992 1300865487 /nfs/dbraw/zinc/86/54/87/1300865487.db2.gz KTRVNCHPYWSEBI-UHFFFAOYSA-N 0 3 325.412 2.498 20 10 EECDHN COc1cc(N2CCN(Cc3c(C)cc(C)cc3O)CC2)ncn1 ZINC001231846135 1303929733 /nfs/dbraw/zinc/92/97/33/1303929733.db2.gz BUEORLPSOUJILE-UHFFFAOYSA-N 0 3 328.416 2.130 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)CC(C)(C)C1)cc2=O ZINC000784349950 1304469250 /nfs/dbraw/zinc/46/92/50/1304469250.db2.gz HRNLIHNKSJGEIK-LBPRGKRZSA-N 0 3 346.431 2.480 20 10 EECDHN COC(=O)[C@]1(N)CCN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236278333 1305549633 /nfs/dbraw/zinc/54/96/33/1305549633.db2.gz PDJHMBYRAIIAEG-IBGZPJMESA-N 0 3 327.428 2.170 20 10 EECDHN COc1cc(CN2CCN3CC[C@H]3C2)c(O)cc1Br ZINC001236752233 1305657908 /nfs/dbraw/zinc/65/79/08/1305657908.db2.gz UXFQBADHPBYJJR-NSHDSACASA-N 0 3 327.222 2.053 20 10 EECDHN COC[C@H]1Cn2nccc2CN(Cc2c(C)cc(OC)cc2O)C1 ZINC001236811739 1305684929 /nfs/dbraw/zinc/68/49/29/1305684929.db2.gz SSEAJHBGBMNQQJ-CQSZACIVSA-N 0 3 331.416 2.184 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC001237489078 1305956550 /nfs/dbraw/zinc/95/65/50/1305956550.db2.gz VCTOCJXTACNVCG-CALCHBBNSA-N 0 3 337.423 2.300 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC001237489078 1305956553 /nfs/dbraw/zinc/95/65/53/1305956553.db2.gz VCTOCJXTACNVCG-CALCHBBNSA-N 0 3 337.423 2.300 20 10 EECDHN C[C@@H]1CN(C(=O)C23CC([NH2+]Cc4cc(F)ccc4[O-])(C2)C3)C[C@H](C)O1 ZINC001278254982 1308919577 /nfs/dbraw/zinc/91/95/77/1308919577.db2.gz KVWGYKFKENMMHK-NFAYLAGKSA-N 0 3 348.418 2.179 20 10 EECDHN CCO[C@@H]1C[C@](N)(C(=O)N[C@H](C)c2cc(OC)ccc2O)C1(C)C ZINC000828667888 1314469350 /nfs/dbraw/zinc/46/93/50/1314469350.db2.gz VXOGQODVNGJKFZ-MZKGEVEHSA-N 0 3 336.432 2.111 20 10 EECDHN CO[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000831528177 1314596379 /nfs/dbraw/zinc/59/63/79/1314596379.db2.gz MJYGDIPAZFOQBO-MAUKXSAKSA-N 0 3 333.476 2.068 20 10 EECDHN O=C1NCCCC12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138498928 1314622277 /nfs/dbraw/zinc/62/22/77/1314622277.db2.gz NJNSXQMOSQQISJ-UHFFFAOYSA-N 0 3 343.471 2.015 20 10 EECDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001157435628 1318640855 /nfs/dbraw/zinc/64/08/55/1318640855.db2.gz UMAWIVUJTOKQFS-PBHICJAKSA-N 0 3 342.443 2.042 20 10 EECDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001157435628 1318640870 /nfs/dbraw/zinc/64/08/70/1318640870.db2.gz UMAWIVUJTOKQFS-PBHICJAKSA-N 0 3 342.443 2.042 20 10 EECDHN COc1ccc(C[NH+]2CCC(Oc3nccc(OC)n3)CC2)c([O-])c1 ZINC001203634996 1321929329 /nfs/dbraw/zinc/92/93/29/1321929329.db2.gz FMJNCIDQAITMAT-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(CN2CCC(Oc3nccc(OC)n3)CC2)c(O)c1 ZINC001203634996 1321929330 /nfs/dbraw/zinc/92/93/30/1321929330.db2.gz FMJNCIDQAITMAT-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN Cn1cc([C@@H]2COC3(C2)CCN(Cc2ccc(O)c(O)c2)CC3)cn1 ZINC001203878170 1321981529 /nfs/dbraw/zinc/98/15/29/1321981529.db2.gz QLPWSHQBKOIDHB-HNNXBMFYSA-N 0 3 343.427 2.370 20 10 EECDHN CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]Cc2ccccc2[O-])C1 ZINC000705017889 1323768170 /nfs/dbraw/zinc/76/81/70/1323768170.db2.gz OIWBZCNLTNIOQT-SFHVURJKSA-N 0 3 336.432 2.244 20 10 EECDHN O=C1NCCN1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001322772757 1333323836 /nfs/dbraw/zinc/32/38/36/1333323836.db2.gz LEXCNPWKUVMYIX-UHFFFAOYSA-N 0 3 328.460 2.276 20 10 EECDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)CN1C ZINC001324159128 1333621327 /nfs/dbraw/zinc/62/13/27/1333621327.db2.gz MWDFTMCCJXMHHF-CVEARBPZSA-N 0 3 334.483 2.102 20 10 EECDHN CCN1CC2(CC1=O)CC[NH+](Cc1c([O-])cc(OC)cc1OC)CC2 ZINC001141033051 1372745932 /nfs/dbraw/zinc/74/59/32/1372745932.db2.gz XUBQFCXAINZDJH-UHFFFAOYSA-N 0 3 348.443 2.244 20 10 EECDHN CCN(CCO)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000183938967 782231757 /nfs/dbraw/zinc/23/17/57/782231757.db2.gz XGSUEZLMWRUJRG-UHFFFAOYSA-N 0 3 343.471 2.447 20 10 EECDHN COCCNC(=O)C1(N[C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000840824559 783021887 /nfs/dbraw/zinc/02/18/87/783021887.db2.gz OPGBMIMNSHYPPL-LLVKDONJSA-N 0 3 326.824 2.300 20 10 EECDHN COCCNC(=O)C1([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000840824559 783021888 /nfs/dbraw/zinc/02/18/88/783021888.db2.gz OPGBMIMNSHYPPL-LLVKDONJSA-N 0 3 326.824 2.300 20 10 EECDHN CC[C@H](C(=O)NCCC1=CCN(c2cccc(F)n2)CC1)N(C)C ZINC001089834904 777396373 /nfs/dbraw/zinc/39/63/73/777396373.db2.gz OODAWWJWKWYFQV-OAHLLOKOSA-N 0 3 334.439 2.204 20 10 EECDHN CCN1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000824886843 788351384 /nfs/dbraw/zinc/35/13/84/788351384.db2.gz LLRCXLVVLIGHNO-LBPRGKRZSA-N 0 3 329.366 2.482 20 10 EECDHN COc1ccc(N2CCN([C@H]3CCN4C(=O)CC[C@H]4C3)CC2)c(C)c1 ZINC001172185882 796897801 /nfs/dbraw/zinc/89/78/01/796897801.db2.gz QVKFJDFYOGFSLH-IRXDYDNUSA-N 0 3 343.471 2.279 20 10 EECDHN COc1ccc(CNCc2cc(Br)nn2C)c(O)c1 ZINC000793386065 810311162 /nfs/dbraw/zinc/31/11/62/810311162.db2.gz INLUYNLFFRFMIH-UHFFFAOYSA-N 0 3 326.194 2.187 20 10 EECDHN COc1cccc(CN2CCCN(c3nc(C)ns3)CC2)c1O ZINC000093717035 533476990 /nfs/dbraw/zinc/47/69/90/533476990.db2.gz WVSAGYVLTUUYQX-UHFFFAOYSA-N 0 3 334.445 2.273 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000296564617 465224685 /nfs/dbraw/zinc/22/46/85/465224685.db2.gz LCUFRSZHSAGUSM-IBGZPJMESA-N 0 3 330.476 2.380 20 10 EECDHN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000296586026 465225865 /nfs/dbraw/zinc/22/58/65/465225865.db2.gz UQUCDPDJISEMBN-DZGCQCFKSA-N 0 3 327.494 2.121 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN(C[C@H]2CCOC2)C2CC2)cc1 ZINC000046092645 462647407 /nfs/dbraw/zinc/64/74/07/462647407.db2.gz VTCYJSMHBUDRMO-QGZVFWFLSA-N 0 3 345.487 2.212 20 10 EECDHN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000122389906 463260797 /nfs/dbraw/zinc/26/07/97/463260797.db2.gz LJNXIEHFIDOJEP-ZACQAIPSSA-N 0 3 345.487 2.401 20 10 EECDHN C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185341600 463804646 /nfs/dbraw/zinc/80/46/46/463804646.db2.gz MRNTXQKQRQPMBR-HNNXBMFYSA-N 0 3 345.487 2.086 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CC2(S(C)(=O)=O)CC2)c1[O-] ZINC000279740197 464138934 /nfs/dbraw/zinc/13/89/34/464138934.db2.gz XEDRWPRYUAPZQW-UHFFFAOYSA-N 0 3 348.262 2.130 20 10 EECDHN CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(C)cc1[O-] ZINC000280124072 464189724 /nfs/dbraw/zinc/18/97/24/464189724.db2.gz ONELOCMBIKRUHN-UKRRQHHQSA-N 0 3 330.432 2.494 20 10 EECDHN COc1ccc(N2CCCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000174830700 464456298 /nfs/dbraw/zinc/45/62/98/464456298.db2.gz DDJIYMNIXNSKRF-UHFFFAOYSA-N 0 3 345.403 2.012 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1F ZINC000272457364 464619192 /nfs/dbraw/zinc/61/91/92/464619192.db2.gz NRKFYPUGKJHPFD-YOEHRIQHSA-N 0 3 334.439 2.127 20 10 EECDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Br)ccc1[O-] ZINC000273417183 464715677 /nfs/dbraw/zinc/71/56/77/464715677.db2.gz RCYXXUNLQYPZAI-DGCLKSJQSA-N 0 3 343.265 2.262 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1C ZINC000273598016 464721336 /nfs/dbraw/zinc/72/13/36/464721336.db2.gz RBYWLYOECPCSPM-KBPBESRZSA-N 0 3 326.462 2.084 20 10 EECDHN CCCN(CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccccc1O ZINC000299649690 465842787 /nfs/dbraw/zinc/84/27/87/465842787.db2.gz OGNHQOIMUQZDPW-UHFFFAOYSA-N 0 3 348.443 2.016 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000363847033 466636532 /nfs/dbraw/zinc/63/65/32/466636532.db2.gz DCBMRFGEUQQYAL-JCGVRSQUSA-N 0 3 331.416 2.072 20 10 EECDHN CCCC(=O)NC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000101905904 527931699 /nfs/dbraw/zinc/93/16/99/527931699.db2.gz TWPFXIWCNCNAOK-ZDUSSCGKSA-N 0 3 334.416 2.249 20 10 EECDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000101905904 527931704 /nfs/dbraw/zinc/93/17/04/527931704.db2.gz TWPFXIWCNCNAOK-ZDUSSCGKSA-N 0 3 334.416 2.249 20 10 EECDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000101905904 527931706 /nfs/dbraw/zinc/93/17/06/527931706.db2.gz TWPFXIWCNCNAOK-ZDUSSCGKSA-N 0 3 334.416 2.249 20 10 EECDHN CC[C@@H](O)[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000097600614 529238499 /nfs/dbraw/zinc/23/84/99/529238499.db2.gz CGNFQUFTEQVRGR-RTBURBONSA-N 0 3 347.503 2.336 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCCC(C)(C)C3)CC2)cc1 ZINC000732984484 577199413 /nfs/dbraw/zinc/19/94/13/577199413.db2.gz YXZRKPCGEQRWDF-UHFFFAOYSA-N 0 3 345.487 2.466 20 10 EECDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000733298152 577220995 /nfs/dbraw/zinc/22/09/95/577220995.db2.gz ATQLYRXLQVFWNE-OAHLLOKOSA-N 0 3 340.489 2.338 20 10 EECDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775634756 577441419 /nfs/dbraw/zinc/44/14/19/577441419.db2.gz WIGKOQUFDIDTGY-SFHVURJKSA-N 0 3 345.487 2.214 20 10 EECDHN CCN(CC)C(=O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776098301 577452085 /nfs/dbraw/zinc/45/20/85/577452085.db2.gz YPJXLAXGVIKCOS-UHFFFAOYSA-N 0 3 329.238 2.421 20 10 EECDHN C[C@@H](NCc1ccc(OCC(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000765406188 577500351 /nfs/dbraw/zinc/50/03/51/577500351.db2.gz QZBXZPLLCPSYOB-CQSZACIVSA-N 0 3 327.428 2.468 20 10 EECDHN C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765410066 577500482 /nfs/dbraw/zinc/50/04/82/577500482.db2.gz QBJWJVJUISNASB-HNNXBMFYSA-N 0 3 347.484 2.382 20 10 EECDHN COCC(=O)NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768884629 577564976 /nfs/dbraw/zinc/56/49/76/577564976.db2.gz KDZGLPNSWKDDQG-UHFFFAOYSA-N 0 3 345.487 2.404 20 10 EECDHN CO[C@]1(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000763572578 577722844 /nfs/dbraw/zinc/72/28/44/577722844.db2.gz MNDBQDKTSVXWTO-KSSFIOAISA-N 0 3 338.423 2.118 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c([O-])c1 ZINC000756484636 577844903 /nfs/dbraw/zinc/84/49/03/577844903.db2.gz ZUXRYMQOSOXWPT-AWEZNQCLSA-N 0 3 334.441 2.330 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@]23C[C@H]2COC3(C)C)N(C)C)cc1 ZINC000891246546 676240691 /nfs/dbraw/zinc/24/06/91/676240691.db2.gz PBRQLCQDCNJXEE-KNBMTAEXSA-N 0 3 345.487 2.287 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCCCO2)N(C)C)cc1 ZINC000891248490 676242740 /nfs/dbraw/zinc/24/27/40/676242740.db2.gz NHENMXLQMZFXJO-PKOBYXMFSA-N 0 3 333.476 2.431 20 10 EECDHN CCn1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000891248272 676243342 /nfs/dbraw/zinc/24/33/42/676243342.db2.gz XIIHXSSRLZVRTD-GOSISDBHSA-N 0 3 343.475 2.310 20 10 EECDHN CCc1n[nH]cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255232 676252502 /nfs/dbraw/zinc/25/25/02/676252502.db2.gz NWMMQWHWNCPUJV-KRWDZBQOSA-N 0 3 329.448 2.071 20 10 EECDHN COC[C@H](C)N1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340763 681185559 /nfs/dbraw/zinc/18/55/59/681185559.db2.gz XAIKRZAYWMPFKM-SWLSCSKDSA-N 0 3 347.419 2.078 20 10 EECDHN CNC(=O)C[C@H](NCc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000894196638 681208575 /nfs/dbraw/zinc/20/85/75/681208575.db2.gz XLUUPDILCMICDH-HNNXBMFYSA-N 0 3 344.411 2.376 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCC=CO2)N(C)C)cc1 ZINC000894326367 682484919 /nfs/dbraw/zinc/48/49/19/682484919.db2.gz CVIIQTXZKFKVAG-MSOLQXFVSA-N 0 3 346.475 2.347 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CCC[S@](C)=O)c1[O-] ZINC000116918444 682837129 /nfs/dbraw/zinc/83/71/29/682837129.db2.gz ITLZZZSUENFADO-GOSISDBHSA-N 0 3 336.251 2.022 20 10 EECDHN C[C@@H]1COCC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894450164 682899741 /nfs/dbraw/zinc/89/97/41/682899741.db2.gz YRBIXVBBNFFMOT-OLMNPRSZSA-N 0 3 348.491 2.080 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NOC/C=C/Cl)N(C)C)cc1 ZINC000894991363 683453832 /nfs/dbraw/zinc/45/38/32/683453832.db2.gz NUVPBHWOASLLSZ-RNOHYWCBSA-N 0 3 340.855 2.339 20 10 EECDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)CO1 ZINC000899103444 693607144 /nfs/dbraw/zinc/60/71/44/693607144.db2.gz MKWMCGFVEHWKEF-DAYGRLMNSA-N 0 3 348.491 2.174 20 10 EECDHN CCOCCN1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272766266 1193487865 /nfs/dbraw/zinc/48/78/65/1193487865.db2.gz NGKMDCIPNMLBBP-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN CCOCCN1CC[C@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272766266 1193487866 /nfs/dbraw/zinc/48/78/66/1193487866.db2.gz NGKMDCIPNMLBBP-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001272766635 1193488013 /nfs/dbraw/zinc/48/80/13/1193488013.db2.gz SODSTBVFMSLCNI-KRWDZBQOSA-N 0 3 346.471 2.455 20 10 EECDHN COc1ccc(CNC[C@H](O)c2ccco2)cc1Cn1cccn1 ZINC000873010668 1198473737 /nfs/dbraw/zinc/47/37/37/1198473737.db2.gz LCDYRXQOCXHFJJ-INIZCTEOSA-N 0 3 327.384 2.356 20 10 EECDHN Cc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c([O-])c1 ZINC000876660501 1199713340 /nfs/dbraw/zinc/71/33/40/1199713340.db2.gz UMMNLLPFXPUNGX-UHFFFAOYSA-N 0 3 342.443 2.076 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](C(C)(C)O)C2)cc1 ZINC000879959216 1201323785 /nfs/dbraw/zinc/32/37/85/1201323785.db2.gz KRDZOJXQTWJVDB-KRWDZBQOSA-N 0 3 347.503 2.194 20 10 EECDHN COCc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000883283643 1202040350 /nfs/dbraw/zinc/04/03/50/1202040350.db2.gz MSSPDVFUQGRBFX-UHFFFAOYSA-N 0 3 329.444 2.468 20 10 EECDHN Cc1ncsc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324845 1202492666 /nfs/dbraw/zinc/49/26/66/1202492666.db2.gz JIUAAXIYNMSEBR-UHFFFAOYSA-N 0 3 344.484 2.443 20 10 EECDHN CN1C[C@]2(CC[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C2)OCC1=O ZINC001274380982 1205015789 /nfs/dbraw/zinc/01/57/89/1205015789.db2.gz KYRMKBPNBODXNB-IBGZPJMESA-N 0 3 332.444 2.123 20 10 EECDHN CN1C[C@]2(CC[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C2)OCC1=O ZINC001274380982 1205015791 /nfs/dbraw/zinc/01/57/91/1205015791.db2.gz KYRMKBPNBODXNB-IBGZPJMESA-N 0 3 332.444 2.123 20 10 EECDHN Cc1cc(Cl)cc(C[N@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c1[O-] ZINC001274399331 1205022484 /nfs/dbraw/zinc/02/24/84/1205022484.db2.gz PPCGFKBSAAQMIY-KRWDZBQOSA-N 0 3 338.835 2.035 20 10 EECDHN Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c1[O-] ZINC001274399331 1205022486 /nfs/dbraw/zinc/02/24/86/1205022486.db2.gz PPCGFKBSAAQMIY-KRWDZBQOSA-N 0 3 338.835 2.035 20 10 EECDHN Cc1cc(Cl)cc(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)c1O ZINC001274399331 1205022489 /nfs/dbraw/zinc/02/24/89/1205022489.db2.gz PPCGFKBSAAQMIY-KRWDZBQOSA-N 0 3 338.835 2.035 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001274779320 1205160557 /nfs/dbraw/zinc/16/05/57/1205160557.db2.gz FYPPAYSXBDIIHD-LJQANCHMSA-N 0 3 330.428 2.487 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001274779320 1205160559 /nfs/dbraw/zinc/16/05/59/1205160559.db2.gz FYPPAYSXBDIIHD-LJQANCHMSA-N 0 3 330.428 2.487 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001274780271 1205161049 /nfs/dbraw/zinc/16/10/49/1205161049.db2.gz UFPDICDOPXQJNS-LJQANCHMSA-N 0 3 332.444 2.196 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001274780271 1205161050 /nfs/dbraw/zinc/16/10/50/1205161050.db2.gz UFPDICDOPXQJNS-LJQANCHMSA-N 0 3 332.444 2.196 20 10 EECDHN Cc1ccc(O)c(CN2CC3(CN(Cc4cccc(=O)[nH]4)C3)C2)c1 ZINC001275311997 1205305733 /nfs/dbraw/zinc/30/57/33/1205305733.db2.gz XVEQQJHYHCJRIR-UHFFFAOYSA-N 0 3 325.412 2.119 20 10 EECDHN Cc1cc(CN2CC3(C2)CN(Cc2cc(C)ccc2O)C3)n(C)n1 ZINC001275313246 1205306436 /nfs/dbraw/zinc/30/64/36/1205306436.db2.gz FEHNWUNAIUEUIB-UHFFFAOYSA-N 0 3 326.444 2.060 20 10 EECDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CN(Cc3cn[nH]c3)C2)CC1 ZINC001275909456 1205581264 /nfs/dbraw/zinc/58/12/64/1205581264.db2.gz ZLWFZCQBWUVMQO-UHFFFAOYSA-N 0 3 330.407 2.352 20 10 EECDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC001276077267 1205761671 /nfs/dbraw/zinc/76/16/71/1205761671.db2.gz BYTDEOUVUYQWEM-CALCHBBNSA-N 0 3 342.439 2.424 20 10 EECDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC001276077267 1205761672 /nfs/dbraw/zinc/76/16/72/1205761672.db2.gz BYTDEOUVUYQWEM-CALCHBBNSA-N 0 3 342.439 2.424 20 10 EECDHN COCCOCN1C[C@H]2C[C@@H](C1)N2Cc1c(O)ccc2ccccc21 ZINC001276077267 1205761674 /nfs/dbraw/zinc/76/16/74/1205761674.db2.gz BYTDEOUVUYQWEM-CALCHBBNSA-N 0 3 342.439 2.424 20 10 EECDHN C[C@H]1C[C@@H]([NH2+]CC2(OCCO)CCOCC2)c2c1c(F)ccc2[O-] ZINC000800501766 1234222647 /nfs/dbraw/zinc/22/26/47/1234222647.db2.gz CYNWSANNTBQRCO-GXTWGEPZSA-N 0 3 339.407 2.227 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc(Cl)cn2)N(C)C)cc1 ZINC000900863793 1234923516 /nfs/dbraw/zinc/92/35/16/1234923516.db2.gz RZWVRAFKMBCXAC-OAHLLOKOSA-N 0 3 347.850 2.229 20 10 EECDHN CCN1CCC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000903391863 1240376131 /nfs/dbraw/zinc/37/61/31/1240376131.db2.gz IPYFUZKUFOJEQR-RHSMWYFYSA-N 0 3 349.450 2.324 20 10 EECDHN C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cc(CO)on1 ZINC000903448986 1240497647 /nfs/dbraw/zinc/49/76/47/1240497647.db2.gz UYHMZTQOAYGTKU-UGSOOPFHSA-N 0 3 332.448 2.186 20 10 EECDHN CC[C@H](F)CN[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188252104 1279815582 /nfs/dbraw/zinc/81/55/82/1279815582.db2.gz XAPJRWOKMPZJSP-GXTWGEPZSA-N 0 3 335.383 2.401 20 10 EECDHN O=C1c2cccc(O[C@H]3C[C@H]4C[C@@H]3C[NH2+]4)c2C(=O)c2cccc([O-])c21 ZINC001218142898 1297582488 /nfs/dbraw/zinc/58/24/88/1297582488.db2.gz ZDWHJFVPLRHDGO-UVWXRNBGSA-N 0 3 335.359 2.297 20 10 EECDHN O=C1c2cccc(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)c2C(=O)c2cccc([O-])c21 ZINC001218330994 1297633544 /nfs/dbraw/zinc/63/35/44/1297633544.db2.gz OZVNTBYKEAQZGK-OWRWGESLSA-N 0 3 335.359 2.154 20 10 EECDHN Cn1cncc1C[C@H](N)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218955465 1297881851 /nfs/dbraw/zinc/88/18/51/1297881851.db2.gz LKYZFFGQGRWOLI-IBGZPJMESA-N 0 3 349.438 2.106 20 10 EECDHN O=C(NCc1c[nH]cn1)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277440509 1303025407 /nfs/dbraw/zinc/02/54/07/1303025407.db2.gz BBBGACFBSUUICV-INIZCTEOSA-N 0 3 340.427 2.034 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c1[O-] ZINC001233105868 1304361494 /nfs/dbraw/zinc/36/14/94/1304361494.db2.gz BTQCSZQKWGZYEI-CYBMUJFWSA-N 0 3 346.265 2.417 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c1[O-] ZINC001233105868 1304361498 /nfs/dbraw/zinc/36/14/98/1304361498.db2.gz BTQCSZQKWGZYEI-CYBMUJFWSA-N 0 3 346.265 2.417 20 10 EECDHN C[NH+](C)CCCN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418586 1304462335 /nfs/dbraw/zinc/46/23/35/1304462335.db2.gz NDVJAKXCVTZCTO-UHFFFAOYSA-N 0 3 345.409 2.480 20 10 EECDHN CC(=O)N[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233754309 1304577651 /nfs/dbraw/zinc/57/76/51/1304577651.db2.gz CZCCSHFWYSEPSE-GFCCVEGCSA-N 0 3 332.322 2.391 20 10 EECDHN COCCCN1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233761088 1304580921 /nfs/dbraw/zinc/58/09/21/1304580921.db2.gz PLLXZYAXCGDEFS-UHFFFAOYSA-N 0 3 348.365 2.445 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)c2c1 ZINC000799144043 1305166888 /nfs/dbraw/zinc/16/68/88/1305166888.db2.gz XBQVDKLKZCBKNR-DYVFJYSZSA-N 0 3 342.395 2.484 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)c2c1 ZINC000799144043 1305166895 /nfs/dbraw/zinc/16/68/95/1305166895.db2.gz XBQVDKLKZCBKNR-DYVFJYSZSA-N 0 3 342.395 2.484 20 10 EECDHN COc1cc([O-])c(CN2CC3(C2)CCCC[NH2+]3)c(Br)c1 ZINC001235922063 1305450083 /nfs/dbraw/zinc/45/00/83/1305450083.db2.gz LIHUJJPYNWUNAD-UHFFFAOYSA-N 0 3 341.249 2.491 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(Br)c1 ZINC001235986288 1305468528 /nfs/dbraw/zinc/46/85/28/1305468528.db2.gz DOKFYVTTYZDMRV-YMTOWFKASA-N 0 3 327.222 2.086 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3ncc(C)cn3)C2)cc1OC ZINC001236753316 1305659785 /nfs/dbraw/zinc/65/97/85/1305659785.db2.gz LMKAVRSIJRJVFW-AWEZNQCLSA-N 0 3 345.399 2.161 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C(C)=O)[C@H]3CC2)c([O-])c1 ZINC001236785561 1305673341 /nfs/dbraw/zinc/67/33/41/1305673341.db2.gz KWMVNIWZUWUYAR-HKUYNNGSSA-N 0 3 332.444 2.166 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@@H]3OCCN(C(C)=O)[C@H]3CC2)c([O-])c1 ZINC001236785561 1305673350 /nfs/dbraw/zinc/67/33/50/1305673350.db2.gz KWMVNIWZUWUYAR-HKUYNNGSSA-N 0 3 332.444 2.166 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(OC)cn3)C2)c([O-])c1 ZINC001236789388 1305678115 /nfs/dbraw/zinc/67/81/15/1305678115.db2.gz WGDJTHOIEUDTBJ-OAHLLOKOSA-N 0 3 329.400 2.407 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@@H](Oc3ncc(OC)cn3)C2)c([O-])c1 ZINC001236789388 1305678124 /nfs/dbraw/zinc/67/81/24/1305678124.db2.gz WGDJTHOIEUDTBJ-OAHLLOKOSA-N 0 3 329.400 2.407 20 10 EECDHN O=C1COCC2(CC[NH+](Cc3cc4ccccc4cc3[O-])CC2)N1 ZINC001236827405 1305690362 /nfs/dbraw/zinc/69/03/62/1305690362.db2.gz RQOBEYQQAWQCTK-UHFFFAOYSA-N 0 3 326.396 2.026 20 10 EECDHN CN1CCN(c2ccc(CN3CC4(C3)CCCOC4)c(F)c2)CC1 ZINC001236933942 1305735597 /nfs/dbraw/zinc/73/55/97/1305735597.db2.gz AXFKDSPJOZQLPP-UHFFFAOYSA-N 0 3 333.451 2.190 20 10 EECDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054054 1305781385 /nfs/dbraw/zinc/78/13/85/1305781385.db2.gz UMMXQAZGDNAZOG-LLVKDONJSA-N 0 3 333.306 2.328 20 10 EECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237054054 1305781390 /nfs/dbraw/zinc/78/13/90/1305781390.db2.gz UMMXQAZGDNAZOG-LLVKDONJSA-N 0 3 333.306 2.328 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001237640937 1306021460 /nfs/dbraw/zinc/02/14/60/1306021460.db2.gz IHTOGMQQINKULK-QFBILLFUSA-N 0 3 331.387 2.373 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001237640937 1306021473 /nfs/dbraw/zinc/02/14/73/1306021473.db2.gz IHTOGMQQINKULK-QFBILLFUSA-N 0 3 331.387 2.373 20 10 EECDHN C[C@@H]1CN(C(=O)C23CC([NH2+]Cc4cc(F)ccc4[O-])(C2)C3)C[C@@H](C)O1 ZINC001278254983 1308919374 /nfs/dbraw/zinc/91/93/74/1308919374.db2.gz KVWGYKFKENMMHK-NYYJTOMGSA-N 0 3 348.418 2.179 20 10 EECDHN c1c(CN2CCN([C@H]3CCOC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141074352 1315036643 /nfs/dbraw/zinc/03/66/43/1315036643.db2.gz GAJMMEZPOBRRPK-FQEVSTJZSA-N 0 3 341.499 2.292 20 10 EECDHN C[C@@H]1NCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H]1C ZINC000841850413 1315623309 /nfs/dbraw/zinc/62/33/09/1315623309.db2.gz SKWJQAGAIFQVIH-RYUDHWBXSA-N 0 3 330.457 2.139 20 10 EECDHN CN1CCC2(C[NH+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C2)C1=O ZINC001249263690 1317037477 /nfs/dbraw/zinc/03/74/77/1317037477.db2.gz SDVWRQQNOWEIMZ-UHFFFAOYSA-N 0 3 328.412 2.241 20 10 EECDHN COc1cccc(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)c1O ZINC001203602062 1321920960 /nfs/dbraw/zinc/92/09/60/1321920960.db2.gz YWKPDQNTHSJCNO-OAHLLOKOSA-N 0 3 333.432 2.171 20 10 EECDHN COc1ccc(O)c(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001203680843 1321939824 /nfs/dbraw/zinc/93/98/24/1321939824.db2.gz HCDCHEFEUKORIV-DZGCQCFKSA-N 0 3 334.416 2.452 20 10 EECDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001262273008 1322267926 /nfs/dbraw/zinc/26/79/26/1322267926.db2.gz LPOIMSADXFUJAG-SFHVURJKSA-N 0 3 349.450 2.151 20 10 EECDHN [NH3+][C@H]1CCCN(Cc2ccc(I)cc2[O-])CC1 ZINC001205117728 1322288433 /nfs/dbraw/zinc/28/84/33/1322288433.db2.gz TUSBEQIBGARIFA-LBPRGKRZSA-N 0 3 346.212 2.310 20 10 EECDHN O[C@@H]1CCC[C@H]1N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319715015 1332749503 /nfs/dbraw/zinc/74/95/03/1332749503.db2.gz ASNWNSBXXFWTOM-WOJBJXKFSA-N 0 3 329.488 2.318 20 10 EECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001605482497 1351168748 /nfs/dbraw/zinc/16/87/48/1351168748.db2.gz TVUUIMJCPCPBMI-GJZGRUSLSA-N 0 3 349.475 2.015 20 10 EECDHN Cc1cc([O-])c(C[NH2+][C@H](C)CCN2CCN(C)CC2)cc1Cl ZINC000825537026 1369129028 /nfs/dbraw/zinc/12/90/28/1369129028.db2.gz QDDGKUJIDXVCJY-CQSZACIVSA-N 0 3 325.884 2.470 20 10 EECDHN C[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1CCO ZINC000852457717 1369274520 /nfs/dbraw/zinc/27/45/20/1369274520.db2.gz ZARDBYPMCQOYIT-APWZRJJASA-N 0 3 347.503 2.194 20 10 EECDHN CN(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCC1 ZINC000863869646 1369574822 /nfs/dbraw/zinc/57/48/22/1369574822.db2.gz PCCOLDHCJJUFDB-KRWDZBQOSA-N 0 3 332.444 2.384 20 10 EECDHN Cc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)c(O)c1 ZINC001140948677 1372725291 /nfs/dbraw/zinc/72/52/91/1372725291.db2.gz VGYMAUCOWNJPGK-LJQANCHMSA-N 0 3 326.440 2.379 20 10 EECDHN CC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920868908 770890650 /nfs/dbraw/zinc/89/06/50/770890650.db2.gz FBYXLTWQMLQZLT-XHSDSOJGSA-N 0 3 333.476 2.477 20 10 EECDHN CC[C@@H]([NH2+]C[C@@H]1CNCCO1)c1cc(Br)ccc1[O-] ZINC000817982397 785130520 /nfs/dbraw/zinc/13/05/20/785130520.db2.gz DFDXCOVBUGGERI-WCQYABFASA-N 0 3 329.238 2.184 20 10 EECDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000818011469 785170818 /nfs/dbraw/zinc/17/08/18/785170818.db2.gz GMSMCUJTCZVTBC-MRXNPFEDSA-N 0 3 347.846 2.466 20 10 EECDHN CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000323797321 788721454 /nfs/dbraw/zinc/72/14/54/788721454.db2.gz FOCALFLUTYYNMD-HNNXBMFYSA-N 0 3 338.473 2.173 20 10 EECDHN CN(C)Cc1ccccc1N(C)S(=O)(=O)CCc1ccc(N)cc1 ZINC001173930919 797657707 /nfs/dbraw/zinc/65/77/07/797657707.db2.gz BHOQYBCSDCSYIJ-UHFFFAOYSA-N 0 3 347.484 2.339 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1C(C)C)cc2=O ZINC000063618921 462658078 /nfs/dbraw/zinc/65/80/78/462658078.db2.gz ZMFDQKXTJOSZIT-AWEZNQCLSA-N 0 3 332.404 2.232 20 10 EECDHN CC(C)(N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166291217 463654049 /nfs/dbraw/zinc/65/40/49/463654049.db2.gz JTGGKYQKBTVHHA-UHFFFAOYSA-N 0 3 327.375 2.110 20 10 EECDHN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@](C)(O)CN(C)C)cc1 ZINC000152517057 463699508 /nfs/dbraw/zinc/69/95/08/463699508.db2.gz FEWYYOPUYTUMKR-IBGZPJMESA-N 0 3 329.444 2.137 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278522446 463968863 /nfs/dbraw/zinc/96/88/63/463968863.db2.gz SILRXUIKPIIZGV-OAHLLOKOSA-N 0 3 330.432 2.283 20 10 EECDHN COc1cc(Cl)cc(CN2CCC(C(=O)N(C)OC)CC2)c1O ZINC000291155914 464146140 /nfs/dbraw/zinc/14/61/40/464146140.db2.gz BWFJDFAOTWOQEF-UHFFFAOYSA-N 0 3 342.823 2.286 20 10 EECDHN C[C@@H](O)C[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279963818 464174394 /nfs/dbraw/zinc/17/43/94/464174394.db2.gz YMGCTFZCECGUHD-APWZRJJASA-N 0 3 347.503 2.336 20 10 EECDHN C[C@H](O)CN1CCN(Cc2cc(Br)ccc2O)[C@@H](C)C1 ZINC000284455907 464198746 /nfs/dbraw/zinc/19/87/46/464198746.db2.gz USCANTPFUVJUBX-RYUDHWBXSA-N 0 3 343.265 2.042 20 10 EECDHN Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccccc2[O-])CCC(=O)N1C1CC1 ZINC000284621291 464266108 /nfs/dbraw/zinc/26/61/08/464266108.db2.gz SQKFKCMIEOYCTL-DNVCBOLYSA-N 0 3 340.427 2.110 20 10 EECDHN CCN(C)c1ccc([C@H](C)NCCS(=O)(=O)NC(C)C)cc1 ZINC000180476924 464317948 /nfs/dbraw/zinc/31/79/48/464317948.db2.gz VNMSOUMOMCOGDC-AWEZNQCLSA-N 0 3 327.494 2.121 20 10 EECDHN COc1cccc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000293720731 464418930 /nfs/dbraw/zinc/41/89/30/464418930.db2.gz TXUQKPJSJWZZTO-QGZVFWFLSA-N 0 3 340.423 2.334 20 10 EECDHN COc1ccc(O)c(CN2CCCNC(=O)[C@H]2Cc2ccccc2)c1 ZINC000293722428 464418960 /nfs/dbraw/zinc/41/89/60/464418960.db2.gz UCESYSOVJKEKRW-GOSISDBHSA-N 0 3 340.423 2.334 20 10 EECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c([O-])c1 ZINC000285143399 464465846 /nfs/dbraw/zinc/46/58/46/464465846.db2.gz LXJPPFUYYDFTEO-ZIAGYGMSSA-N 0 3 326.462 2.084 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000245561164 464495069 /nfs/dbraw/zinc/49/50/69/464495069.db2.gz NIOVDBJUBXATRZ-BFYDXBDKSA-N 0 3 334.460 2.474 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000245561164 464495075 /nfs/dbraw/zinc/49/50/75/464495075.db2.gz NIOVDBJUBXATRZ-BFYDXBDKSA-N 0 3 334.460 2.474 20 10 EECDHN COC(=O)/C=C/c1ccc(N2CC[C@@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272223775 464524913 /nfs/dbraw/zinc/52/49/13/464524913.db2.gz SLJGWXLQGJPRKH-HMHLKJFASA-N 0 3 345.399 2.311 20 10 EECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000182125152 464577317 /nfs/dbraw/zinc/57/73/17/464577317.db2.gz OKJCPZDGXXOMDW-KRWDZBQOSA-N 0 3 346.427 2.465 20 10 EECDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000295066143 464694650 /nfs/dbraw/zinc/69/46/50/464694650.db2.gz OVXVYRUTBREGRF-INIZCTEOSA-N 0 3 343.807 2.066 20 10 EECDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000295066143 464694655 /nfs/dbraw/zinc/69/46/55/464694655.db2.gz OVXVYRUTBREGRF-INIZCTEOSA-N 0 3 343.807 2.066 20 10 EECDHN C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cc(F)ccc1[O-] ZINC000273372600 464713518 /nfs/dbraw/zinc/71/35/18/464713518.db2.gz GKQFTVULUFDKGU-AAEUAGOBSA-N 0 3 349.358 2.351 20 10 EECDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cc1[O-] ZINC000273362548 464714103 /nfs/dbraw/zinc/71/41/03/464714103.db2.gz DFHXPIQPMKNNJD-DGCLKSJQSA-N 0 3 343.265 2.262 20 10 EECDHN COc1cc([O-])c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1OC ZINC000295177158 464735044 /nfs/dbraw/zinc/73/50/44/464735044.db2.gz VEELEEYHQQMDLW-OAHLLOKOSA-N 0 3 335.375 2.242 20 10 EECDHN Cc1cc(O)c(C[NH2+]C[C@@]([O-])(c2nccn2C)C(F)(F)F)cc1C ZINC000266236484 464768669 /nfs/dbraw/zinc/76/86/69/464768669.db2.gz VXEDAZRFWNMBQJ-OAHLLOKOSA-N 0 3 343.349 2.282 20 10 EECDHN CNC(=O)C[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000298717065 465482060 /nfs/dbraw/zinc/48/20/60/465482060.db2.gz YHZLKHHULGTSQL-BFHYXJOUSA-N 0 3 337.439 2.054 20 10 EECDHN C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367411688 466321243 /nfs/dbraw/zinc/32/12/43/466321243.db2.gz BKBIXTFFOCISBH-RDTXWAMCSA-N 0 3 331.460 2.183 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c([O-])c1C ZINC000375849451 466879450 /nfs/dbraw/zinc/87/94/50/466879450.db2.gz PTWSWSXTPMQOOU-NJSLBKSFSA-N 0 3 345.443 2.380 20 10 EECDHN Cc1cnn([C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000365620579 466884805 /nfs/dbraw/zinc/88/48/05/466884805.db2.gz SRQKAYKAXWUGDR-LJQANCHMSA-N 0 3 326.444 2.475 20 10 EECDHN [O-]c1ccccc1C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C[C@H]1CCCO1 ZINC000378443032 467303260 /nfs/dbraw/zinc/30/32/60/467303260.db2.gz QCQPZEBXRITEQI-QRVBRYPASA-N 0 3 346.471 2.236 20 10 EECDHN [O-]c1ccccc1C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C[C@H]1CCCO1 ZINC000378443032 467303263 /nfs/dbraw/zinc/30/32/63/467303263.db2.gz QCQPZEBXRITEQI-QRVBRYPASA-N 0 3 346.471 2.236 20 10 EECDHN C[C@@H](O)CN(CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000298144628 525785103 /nfs/dbraw/zinc/78/51/03/525785103.db2.gz OLFVPOJAMWOUGC-MRXNPFEDSA-N 0 3 347.503 2.384 20 10 EECDHN CCCN(Cc1ccccc1O)C(=O)NC1CCN(CCOC)CC1 ZINC000108929564 528147019 /nfs/dbraw/zinc/14/70/19/528147019.db2.gz MDLOJVWLKDLNHL-UHFFFAOYSA-N 0 3 349.475 2.425 20 10 EECDHN O=S1(=O)CCN(c2ccc(CNCc3ccccc3)cc2)CC1 ZINC000733331095 577223311 /nfs/dbraw/zinc/22/33/11/577223311.db2.gz ZXKGRJJJBBBIFR-UHFFFAOYSA-N 0 3 330.453 2.211 20 10 EECDHN CN1CCCc2cc(CNC(=O)N[C@@H]3CCN(C4CC4)C3)ccc21 ZINC000734271980 577286316 /nfs/dbraw/zinc/28/63/16/577286316.db2.gz HESINVMOBXVHEL-MRXNPFEDSA-N 0 3 328.460 2.105 20 10 EECDHN CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000773328842 577333897 /nfs/dbraw/zinc/33/38/97/577333897.db2.gz LRKLLMDBCQEKRR-APWZRJJASA-N 0 3 349.427 2.229 20 10 EECDHN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000773328842 577333900 /nfs/dbraw/zinc/33/39/00/577333900.db2.gz LRKLLMDBCQEKRR-APWZRJJASA-N 0 3 349.427 2.229 20 10 EECDHN CCOCCO[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775738373 577444398 /nfs/dbraw/zinc/44/43/98/577444398.db2.gz CDGYGGKZPPSGBY-FQEVSTJZSA-N 0 3 347.503 2.066 20 10 EECDHN CC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](O)C(F)(F)F ZINC000765786416 577507111 /nfs/dbraw/zinc/50/71/11/577507111.db2.gz FSSVPPORFVWIHE-LSDHHAIUSA-N 0 3 332.366 2.315 20 10 EECDHN COc1cc(O)c(CN2CCC(NC(=O)C(C)C)CC2)cc1OC ZINC000768439311 577555668 /nfs/dbraw/zinc/55/56/68/577555668.db2.gz KHIRABKZQDSNKS-UHFFFAOYSA-N 0 3 336.432 2.146 20 10 EECDHN CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768462186 577556328 /nfs/dbraw/zinc/55/63/28/577556328.db2.gz KYZGJTWFHYTMEH-SUMWQHHRSA-N 0 3 349.427 2.373 20 10 EECDHN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768462186 577556329 /nfs/dbraw/zinc/55/63/29/577556329.db2.gz KYZGJTWFHYTMEH-SUMWQHHRSA-N 0 3 349.427 2.373 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000769340846 577575491 /nfs/dbraw/zinc/57/54/91/577575491.db2.gz YBQKRFPGVZNEOQ-CYBMUJFWSA-N 0 3 328.416 2.318 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000769340846 577575492 /nfs/dbraw/zinc/57/54/92/577575492.db2.gz YBQKRFPGVZNEOQ-CYBMUJFWSA-N 0 3 328.416 2.318 20 10 EECDHN CCOc1ccc(O)c(CN(CCC(=O)OC)C[C@H]2CCCO2)c1 ZINC000769445793 577578062 /nfs/dbraw/zinc/57/80/62/577578062.db2.gz JUCFFUZECGVCOV-MRXNPFEDSA-N 0 3 337.416 2.335 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+](CCC(=O)OC)C[C@H]2CCCO2)c1 ZINC000769445793 577578063 /nfs/dbraw/zinc/57/80/63/577578063.db2.gz JUCFFUZECGVCOV-MRXNPFEDSA-N 0 3 337.416 2.335 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+](CCC(=O)OC)C[C@H]2CCCO2)c1 ZINC000769445793 577578064 /nfs/dbraw/zinc/57/80/64/577578064.db2.gz JUCFFUZECGVCOV-MRXNPFEDSA-N 0 3 337.416 2.335 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)C3(C)CC3)CC2)cc1 ZINC000752357033 577769583 /nfs/dbraw/zinc/76/95/83/577769583.db2.gz VGXKHJXYXBEKKY-INIZCTEOSA-N 0 3 345.487 2.464 20 10 EECDHN Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256211 676252083 /nfs/dbraw/zinc/25/20/83/676252083.db2.gz VUVZMFVQEVVHRK-KRWDZBQOSA-N 0 3 343.475 2.136 20 10 EECDHN COC(=O)c1c(CNCCC(=O)NC(C)C)c2cc(F)ccc2n1C ZINC000894169905 682036857 /nfs/dbraw/zinc/03/68/57/682036857.db2.gz KJWHXMWJBKNHAB-UHFFFAOYSA-N 0 3 349.406 2.108 20 10 EECDHN CCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000895005931 683461692 /nfs/dbraw/zinc/46/16/92/683461692.db2.gz CACWAYUCHXOAPN-MSOLQXFVSA-N 0 3 340.423 2.492 20 10 EECDHN CCOc1ccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000895005931 683461697 /nfs/dbraw/zinc/46/16/97/683461697.db2.gz CACWAYUCHXOAPN-MSOLQXFVSA-N 0 3 340.423 2.492 20 10 EECDHN C[C@@H]1CC[C@H](CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000895287254 684449536 /nfs/dbraw/zinc/44/95/36/684449536.db2.gz XWGQVALQXZCPKG-ZTFGCOKTSA-N 0 3 348.491 2.222 20 10 EECDHN CCOCCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105491 693608207 /nfs/dbraw/zinc/60/82/07/693608207.db2.gz XODOJVIWQWORDN-QGZVFWFLSA-N 0 3 336.480 2.033 20 10 EECDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C4COC4)C3=O)CC2)c([O-])c1 ZINC001272765376 1193486720 /nfs/dbraw/zinc/48/67/20/1193486720.db2.gz HNCIWPPJXFXNRB-FQEVSTJZSA-N 0 3 344.455 2.304 20 10 EECDHN Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(C4COC4)C3=O)CC2)c([O-])c1 ZINC001272765376 1193486721 /nfs/dbraw/zinc/48/67/21/1193486721.db2.gz HNCIWPPJXFXNRB-FQEVSTJZSA-N 0 3 344.455 2.304 20 10 EECDHN Cc1cc(C(=O)CON=C(N)CCO)c(C)n1-c1ccccc1C ZINC000842040237 1188239823 /nfs/dbraw/zinc/23/98/23/1188239823.db2.gz FCFFJSKOQOQZOY-UHFFFAOYSA-N 0 3 329.400 2.466 20 10 EECDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])N1Cc1cnoc1 ZINC001272618839 1190932922 /nfs/dbraw/zinc/93/29/22/1190932922.db2.gz PCCYYMFEVOKVES-HZPDHXFCSA-N 0 3 327.384 2.146 20 10 EECDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])N1Cc1cnoc1 ZINC001272618839 1190932923 /nfs/dbraw/zinc/93/29/23/1190932923.db2.gz PCCYYMFEVOKVES-HZPDHXFCSA-N 0 3 327.384 2.146 20 10 EECDHN COCCCN1CC[C@@]2(CCCN2Cc2cc(F)ccc2O)C1=O ZINC001273286062 1197955927 /nfs/dbraw/zinc/95/59/27/1197955927.db2.gz YCUCBYAZDOSFQT-SFHVURJKSA-N 0 3 336.407 2.135 20 10 EECDHN CCOc1ccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c([O-])c1 ZINC000865683171 1198331808 /nfs/dbraw/zinc/33/18/08/1198331808.db2.gz QFXZQMIEEWHELT-CYBMUJFWSA-N 0 3 330.310 2.276 20 10 EECDHN CCOc1ccc(CNC[C@@H](n2cncn2)C(F)(F)F)c(O)c1 ZINC000865683171 1198331816 /nfs/dbraw/zinc/33/18/16/1198331816.db2.gz QFXZQMIEEWHELT-CYBMUJFWSA-N 0 3 330.310 2.276 20 10 EECDHN Cc1ccc(CNCc2ccccc2S(=O)(=O)N(C)C)c(O)c1 ZINC000876922331 1199819243 /nfs/dbraw/zinc/81/92/43/1199819243.db2.gz WEUBRAKEWTXXJQ-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN O[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877093867 1199861163 /nfs/dbraw/zinc/86/11/63/1199861163.db2.gz LMRQNHGOHCVAOM-SFTDATJTSA-N 0 3 338.451 2.396 20 10 EECDHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccccc1O ZINC000867835066 1201690762 /nfs/dbraw/zinc/69/07/62/1201690762.db2.gz RPXGMBBLXXXHTM-CYBMUJFWSA-N 0 3 334.441 2.493 20 10 EECDHN COc1ccc(N2CCC[C@]23CCN(CCN(C)C)C3=O)c(C)c1 ZINC001274874772 1205194737 /nfs/dbraw/zinc/19/47/37/1205194737.db2.gz KRVPAGNUNOQNRD-LJQANCHMSA-N 0 3 331.460 2.137 20 10 EECDHN CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000192844241 1210605528 /nfs/dbraw/zinc/60/55/28/1210605528.db2.gz KNAOTYCNAMXPBT-CYBMUJFWSA-N 0 3 326.462 2.247 20 10 EECDHN COc1cc(C(=O)N[C@@H]2CCCN(CC[C@H](C)F)C2)cc(OC)n1 ZINC001007791824 1222421366 /nfs/dbraw/zinc/42/13/66/1222421366.db2.gz LRENQMHOMCFRIF-GXTWGEPZSA-N 0 3 339.411 2.041 20 10 EECDHN CCN1CCN(c2ccc(CNCc3cnc(C)n3C)cc2F)CC1 ZINC000850126909 1277048298 /nfs/dbraw/zinc/04/82/98/1277048298.db2.gz RYGYVGMJPSPKHS-UHFFFAOYSA-N 0 3 345.466 2.299 20 10 EECDHN CCOCCN(C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194374099 1282996474 /nfs/dbraw/zinc/99/64/74/1282996474.db2.gz CJKSMNCNXIXDLQ-HNNXBMFYSA-N 0 3 347.419 2.032 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCNC2=O)c1[O-] ZINC000886745105 1296706489 /nfs/dbraw/zinc/70/64/89/1296706489.db2.gz OGOGXSITCUHVDW-JTQLQIEISA-N 0 3 342.237 2.139 20 10 EECDHN O=C([C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2)N1CCCCO1 ZINC001277196924 1301768098 /nfs/dbraw/zinc/76/80/98/1301768098.db2.gz SVMKCNZUMBTBCB-MRXNPFEDSA-N 0 3 346.427 2.254 20 10 EECDHN O=C(NCC1COC1)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441774 1303031112 /nfs/dbraw/zinc/03/11/12/1303031112.db2.gz OXZYPEOQYVILKP-FXAWDEMLSA-N 0 3 344.455 2.147 20 10 EECDHN O=C(NCC1COC1)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441774 1303031118 /nfs/dbraw/zinc/03/11/18/1303031118.db2.gz OXZYPEOQYVILKP-FXAWDEMLSA-N 0 3 344.455 2.147 20 10 EECDHN CN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231882189 1303936869 /nfs/dbraw/zinc/93/68/69/1303936869.db2.gz FRSNRZJPJGZQBY-QGZVFWFLSA-N 0 3 341.455 2.188 20 10 EECDHN CN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231882189 1303936870 /nfs/dbraw/zinc/93/68/70/1303936870.db2.gz FRSNRZJPJGZQBY-QGZVFWFLSA-N 0 3 341.455 2.188 20 10 EECDHN Cc1ccc(N2CCN(Cc3ccc(N(C)C)cc3O)CC2)nc1 ZINC001232839498 1304266951 /nfs/dbraw/zinc/26/69/51/1304266951.db2.gz OUGOCUHIQMYUSM-UHFFFAOYSA-N 0 3 326.444 2.484 20 10 EECDHN O=C1N(CC2CC2)CC[C@@]12CCCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233011270 1304326768 /nfs/dbraw/zinc/32/67/68/1304326768.db2.gz DNWXVHHUQSAXEE-LJQANCHMSA-N 0 3 346.427 2.028 20 10 EECDHN CNC(=O)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233726686 1304569405 /nfs/dbraw/zinc/56/94/05/1304569405.db2.gz FZLMFNQLVOEDOC-UHFFFAOYSA-N 0 3 332.322 2.249 20 10 EECDHN CN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236837788 1305694930 /nfs/dbraw/zinc/69/49/30/1305694930.db2.gz UQKMOCOMVIYOGP-GOSISDBHSA-N 0 3 341.455 2.188 20 10 EECDHN CN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236837788 1305694934 /nfs/dbraw/zinc/69/49/34/1305694934.db2.gz UQKMOCOMVIYOGP-GOSISDBHSA-N 0 3 341.455 2.188 20 10 EECDHN CCOc1ccc(C[NH+]2CCC3(CC2)N=C(CC)N(C)C3=O)c([O-])c1 ZINC001237048636 1305778425 /nfs/dbraw/zinc/77/84/25/1305778425.db2.gz VCTPXBIHROGTEH-UHFFFAOYSA-N 0 3 345.443 2.406 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001237486280 1305954368 /nfs/dbraw/zinc/95/43/68/1305954368.db2.gz PVUFVTFBPWZZQI-KBAYOESNSA-N 0 3 344.455 2.017 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001237486280 1305954374 /nfs/dbraw/zinc/95/43/74/1305954374.db2.gz PVUFVTFBPWZZQI-KBAYOESNSA-N 0 3 344.455 2.017 20 10 EECDHN COc1cc(CN2CCC(c3nnc(C)o3)CC2)c(O)c(OC)c1 ZINC001237681752 1306044466 /nfs/dbraw/zinc/04/44/66/1306044466.db2.gz RTXBPULWVVYNON-UHFFFAOYSA-N 0 3 333.388 2.480 20 10 EECDHN O=C(NCC(F)F)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001278254620 1308919422 /nfs/dbraw/zinc/91/94/22/1308919422.db2.gz BWLJUIMLLPGJHH-JBNLSRPWSA-N 0 3 342.361 2.417 20 10 EECDHN O=C(NCC(F)F)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278254773 1308919740 /nfs/dbraw/zinc/91/97/40/1308919740.db2.gz HOUSTJVOCBPFKC-CULMDFNYSA-N 0 3 342.361 2.371 20 10 EECDHN O=C(NCC(F)F)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278254773 1308919745 /nfs/dbraw/zinc/91/97/45/1308919745.db2.gz HOUSTJVOCBPFKC-CULMDFNYSA-N 0 3 342.361 2.371 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC001278255757 1308921536 /nfs/dbraw/zinc/92/15/36/1308921536.db2.gz XZBXEMNWMILCDH-VGGPVPOVSA-N 0 3 344.390 2.397 20 10 EECDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1ccccn1 ZINC001140059962 1314806503 /nfs/dbraw/zinc/80/65/03/1314806503.db2.gz DCLIKVPTMZQPHF-UHFFFAOYSA-N 0 3 329.375 2.321 20 10 EECDHN O=C(NCCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(O)c1 ZINC000834555325 1314849080 /nfs/dbraw/zinc/84/90/80/1314849080.db2.gz RFIXCPHYLFJJJF-MRXNPFEDSA-N 0 3 326.396 2.495 20 10 EECDHN CCN1CCN(c2ccc(CN3CC(F)(F)C[C@H]3CO)cc2)CC1 ZINC001140301069 1314858891 /nfs/dbraw/zinc/85/88/91/1314858891.db2.gz XULZOCCHDOGAID-KRWDZBQOSA-N 0 3 339.430 2.030 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC[C@H](N1CCOCC1)C(F)(F)F ZINC000840946600 1315443429 /nfs/dbraw/zinc/44/34/29/1315443429.db2.gz AUTWMQQIWBQYRA-INIZCTEOSA-N 0 3 345.409 2.414 20 10 EECDHN O=C1[C@@H](NCc2cc3c(cc2O)OCO3)CCN1c1ccc(F)cc1 ZINC000840968349 1315448199 /nfs/dbraw/zinc/44/81/99/1315448199.db2.gz XLXRZNIMZPOYKQ-AWEZNQCLSA-N 0 3 344.342 2.155 20 10 EECDHN COc1nc(C)ccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[O-])n1 ZINC001249338361 1317056558 /nfs/dbraw/zinc/05/65/58/1317056558.db2.gz ALLZEBFUARBFJF-CYBMUJFWSA-N 0 3 326.356 2.397 20 10 EECDHN [O-]c1cccc2c1C[N@H+](C[C@H](O)COCC(F)(F)C(F)F)CC2 ZINC001251584048 1317473134 /nfs/dbraw/zinc/47/31/34/1317473134.db2.gz QXLLVUIKPKTFNR-NSHDSACASA-N 0 3 337.313 2.028 20 10 EECDHN [O-]c1cccc2c1C[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)CC2 ZINC001251584048 1317473138 /nfs/dbraw/zinc/47/31/38/1317473138.db2.gz QXLLVUIKPKTFNR-NSHDSACASA-N 0 3 337.313 2.028 20 10 EECDHN COc1cc(C)c(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC001308807089 1331605132 /nfs/dbraw/zinc/60/51/32/1331605132.db2.gz OHNORDFAEKEYHF-HXUWFJFHSA-N 0 3 340.423 2.338 20 10 EECDHN COc1cc(C)c(C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC001308807089 1331605136 /nfs/dbraw/zinc/60/51/36/1331605136.db2.gz OHNORDFAEKEYHF-HXUWFJFHSA-N 0 3 340.423 2.338 20 10 EECDHN COC[C@]1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCCCN1 ZINC001578976041 1344325460 /nfs/dbraw/zinc/32/54/60/1344325460.db2.gz YYZNBSHIBHIXKW-JXFKEZNVSA-N 0 3 347.503 2.267 20 10 EECDHN CC(=O)NCc1ncn2c1CN(Cc1c(C)ccc(C)c1O)CCC2 ZINC001140179898 1372546341 /nfs/dbraw/zinc/54/63/41/1372546341.db2.gz QUGZGEOAEUZVRP-UHFFFAOYSA-N 0 3 342.443 2.248 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1[O-] ZINC000835061110 1372585181 /nfs/dbraw/zinc/58/51/81/1372585181.db2.gz PTVTUWFHUHUFMV-CQSZACIVSA-N 0 3 327.222 2.221 20 10 EECDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)c([O-])c1 ZINC001140952008 1372725672 /nfs/dbraw/zinc/72/56/72/1372725672.db2.gz BJEWUJXJKQLVRQ-ZHALLVOQSA-N 0 3 344.455 2.206 20 10 EECDHN Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)c([O-])c1 ZINC001140952008 1372725676 /nfs/dbraw/zinc/72/56/76/1372725676.db2.gz BJEWUJXJKQLVRQ-ZHALLVOQSA-N 0 3 344.455 2.206 20 10 EECDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)c([O-])c1 ZINC001140950215 1372725838 /nfs/dbraw/zinc/72/58/38/1372725838.db2.gz VVLJWQPKZIJEEC-LJQANCHMSA-N 0 3 338.411 2.120 20 10 EECDHN Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)c([O-])c1 ZINC001140950215 1372725841 /nfs/dbraw/zinc/72/58/41/1372725841.db2.gz VVLJWQPKZIJEEC-LJQANCHMSA-N 0 3 338.411 2.120 20 10 EECDHN CC[C@@H](C(=O)NCCC1=CCN(c2nc(C)ncc2C)CC1)N(C)C ZINC001089835314 777444252 /nfs/dbraw/zinc/44/42/52/777444252.db2.gz VCUHSCASUAVWTO-KRWDZBQOSA-N 0 3 345.491 2.076 20 10 EECDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cnccc1N ZINC000817889775 785024253 /nfs/dbraw/zinc/02/42/53/785024253.db2.gz VODLYURWDUKBNM-CYBMUJFWSA-N 0 3 330.407 2.321 20 10 EECDHN CCN(CC)c1ccc(CNCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000323914645 791119978 /nfs/dbraw/zinc/11/99/78/791119978.db2.gz GTWUMRLSBNHDJW-UHFFFAOYSA-N 0 3 347.484 2.470 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](C)C3)CC2)cc1 ZINC000009996484 785718550 /nfs/dbraw/zinc/71/85/50/785718550.db2.gz XEBLTSTVIFHBJX-MRXNPFEDSA-N 0 3 331.460 2.076 20 10 EECDHN O=C(c1cc(O)c([O-])c(O)c1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001148584144 792569961 /nfs/dbraw/zinc/56/99/61/792569961.db2.gz PNYUNIIKUTZGSJ-UHFFFAOYSA-N 0 3 340.379 2.085 20 10 EECDHN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N(C)C)cc1 ZINC000090116314 533542691 /nfs/dbraw/zinc/54/26/91/533542691.db2.gz ZACKWVMVUWPYKT-PBHICJAKSA-N 0 3 341.459 2.332 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c([O-])c1 ZINC000291495087 276019656 /nfs/dbraw/zinc/01/96/56/276019656.db2.gz GYTSDNAOZBIIOS-CRAIPNDOSA-N 0 3 334.460 2.476 20 10 EECDHN CCCOc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c([O-])c1 ZINC000291495087 276019657 /nfs/dbraw/zinc/01/96/57/276019657.db2.gz GYTSDNAOZBIIOS-CRAIPNDOSA-N 0 3 334.460 2.476 20 10 EECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000296647660 465227980 /nfs/dbraw/zinc/22/79/80/465227980.db2.gz VWPWBXPRTVNHEV-HNNXBMFYSA-N 0 3 336.432 2.426 20 10 EECDHN COc1cccc(C(=O)NCC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297581388 465261588 /nfs/dbraw/zinc/26/15/88/465261588.db2.gz HENLIKVMNBIEBG-MRXNPFEDSA-N 0 3 326.396 2.408 20 10 EECDHN COc1cccc(CN2CCC([C@@H](O)c3nccn3C)CC2)c1O ZINC000093454887 463038006 /nfs/dbraw/zinc/03/80/06/463038006.db2.gz FXACLEDBHNVTNY-QGZVFWFLSA-N 0 3 331.416 2.080 20 10 EECDHN CCOc1cccc(CN2CCC([C@@H](O)c3nccn3C)CC2)c1O ZINC000093454660 463038814 /nfs/dbraw/zinc/03/88/14/463038814.db2.gz UPOIFPXUEKHOAO-GOSISDBHSA-N 0 3 345.443 2.470 20 10 EECDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1C1CC1 ZINC000126124696 463608165 /nfs/dbraw/zinc/60/81/65/463608165.db2.gz RATUKIIQAXJTQX-RDJZCZTQSA-N 0 3 340.471 2.487 20 10 EECDHN CCNC(=O)C1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCC1 ZINC000277110269 463876599 /nfs/dbraw/zinc/87/65/99/463876599.db2.gz HXQYXKCREJUHCN-UHFFFAOYSA-N 0 3 326.824 2.450 20 10 EECDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000290199918 464111272 /nfs/dbraw/zinc/11/12/72/464111272.db2.gz UPXBMIHKEXOFQC-ZDUSSCGKSA-N 0 3 327.446 2.095 20 10 EECDHN COc1ccc(O)c(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291345772 464152403 /nfs/dbraw/zinc/15/24/03/464152403.db2.gz WMNGOTRZBGQZKA-CYBMUJFWSA-N 0 3 330.359 2.435 20 10 EECDHN O=C1[C@@H](NCc2cc3c(cc2O)OCO3)CCN1Cc1ccccc1 ZINC000263729157 464169115 /nfs/dbraw/zinc/16/91/15/464169115.db2.gz XNNZLCRMBDWXDY-HNNXBMFYSA-N 0 3 340.379 2.012 20 10 EECDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc3c(c2)CCCN3C)C1(C)C ZINC000188136285 464208134 /nfs/dbraw/zinc/20/81/34/464208134.db2.gz REQCUJIGZIYRNP-XLIONFOSSA-N 0 3 345.487 2.218 20 10 EECDHN CCOCCO[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000271091832 464279202 /nfs/dbraw/zinc/27/92/02/464279202.db2.gz LGZCWKPWXICDAS-AWEZNQCLSA-N 0 3 325.405 2.037 20 10 EECDHN C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)C[C@@H](C)O1 ZINC000245561745 464495238 /nfs/dbraw/zinc/49/52/38/464495238.db2.gz OINKDMGFPSSJDF-IIAWOOMASA-N 0 3 348.443 2.195 20 10 EECDHN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)C[C@@H](C)O1 ZINC000245561745 464495239 /nfs/dbraw/zinc/49/52/39/464495239.db2.gz OINKDMGFPSSJDF-IIAWOOMASA-N 0 3 348.443 2.195 20 10 EECDHN COc1ccc([O-])c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000294853540 464626318 /nfs/dbraw/zinc/62/63/18/464626318.db2.gz SNYNPEZGZTVXHR-UHFFFAOYSA-N 0 3 327.446 2.094 20 10 EECDHN CS[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1N1CCCC1 ZINC000275352371 464771472 /nfs/dbraw/zinc/77/14/72/464771472.db2.gz ZLGPFGOESPKTBM-UHZVSMRUSA-N 0 3 348.468 2.149 20 10 EECDHN CC1CCN(c2ccc(CNC(=O)[C@H](N)C3CCOCC3)cc2)CC1 ZINC000282605875 464882018 /nfs/dbraw/zinc/88/20/18/464882018.db2.gz KLHDZWWOOSRXEL-LJQANCHMSA-N 0 3 345.487 2.293 20 10 EECDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCc3c2cnn3CCO)c1 ZINC000324394102 466646629 /nfs/dbraw/zinc/64/66/29/466646629.db2.gz QZKPTOAJZRUQRZ-LRDDRELGSA-N 0 3 331.416 2.318 20 10 EECDHN CN(C)c1ccc(CNC(=O)CN2CCCC3(CCOCC3)C2)cc1 ZINC000375902995 466881789 /nfs/dbraw/zinc/88/17/89/466881789.db2.gz OANQBXADMVSGHW-UHFFFAOYSA-N 0 3 345.487 2.261 20 10 EECDHN COc1cc(O)c(CN2CCC(Oc3cnccn3)CC2)cc1OC ZINC000365827396 466953610 /nfs/dbraw/zinc/95/36/10/466953610.db2.gz BXHHGPLQPBPXCX-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000374389675 467045205 /nfs/dbraw/zinc/04/52/05/467045205.db2.gz GJGJGQKIEAZIJR-QZTJIDSGSA-N 0 3 345.487 2.069 20 10 EECDHN CC(C)[C@@]1(CO)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000377685461 467115875 /nfs/dbraw/zinc/11/58/75/467115875.db2.gz YXPGHRVJOFPUPS-FQEVSTJZSA-N 0 3 347.503 2.051 20 10 EECDHN COc1cccc2c1OC[C@H]([NH2+]Cc1cc3c(cc1[O-])OCO3)C2 ZINC000728300513 576488976 /nfs/dbraw/zinc/48/89/76/576488976.db2.gz FKJAFXQOLQIISR-CYBMUJFWSA-N 0 3 329.352 2.223 20 10 EECDHN CN(C)c1ccc(CNCc2ccnc(N3CCOCC3)c2)cc1F ZINC000733324340 577222776 /nfs/dbraw/zinc/22/27/76/577222776.db2.gz QQRRWRIJIDBDAE-UHFFFAOYSA-N 0 3 344.434 2.413 20 10 EECDHN COc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)cc1O ZINC000771827479 577233002 /nfs/dbraw/zinc/23/30/02/577233002.db2.gz KAEHVMJYDUJXQA-UHFFFAOYSA-N 0 3 341.455 2.442 20 10 EECDHN CCN(C)c1ccc(CN2CCN(C(=O)CN(CC)CC)CC2)cc1 ZINC000773747873 577362586 /nfs/dbraw/zinc/36/25/86/577362586.db2.gz KQIDITOUROWUGH-UHFFFAOYSA-N 0 3 346.519 2.129 20 10 EECDHN COC[C@@H](O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000765791476 577507173 /nfs/dbraw/zinc/50/71/73/577507173.db2.gz PKLWUSBKYVZAPN-HNNXBMFYSA-N 0 3 337.420 2.072 20 10 EECDHN COc1cc(Br)cc(C[NH2+]C[C@]2(OC)CCOC2)c1[O-] ZINC000763481416 577721801 /nfs/dbraw/zinc/72/18/01/577721801.db2.gz UAODMKSAZIBSIC-CQSZACIVSA-N 0 3 346.221 2.058 20 10 EECDHN COc1cccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000821868415 599397708 /nfs/dbraw/zinc/39/77/08/599397708.db2.gz QMBTZOQSUNZJQK-LLVKDONJSA-N 0 3 325.372 2.432 20 10 EECDHN CNc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000891246887 676240478 /nfs/dbraw/zinc/24/04/78/676240478.db2.gz QRHNSKYLOHNSBU-OAHLLOKOSA-N 0 3 347.488 2.284 20 10 EECDHN C[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@H](C)O1 ZINC000891248545 676242800 /nfs/dbraw/zinc/24/28/00/676242800.db2.gz YJXDHHCQOPNJDW-BODMPHMZSA-N 0 3 333.476 2.285 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CCOCC2CC2)N(C)C)cc1 ZINC000891250663 676245617 /nfs/dbraw/zinc/24/56/17/676245617.db2.gz BOULTANMKMXALZ-SFHVURJKSA-N 0 3 333.476 2.288 20 10 EECDHN C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000891252888 676248970 /nfs/dbraw/zinc/24/89/70/676248970.db2.gz OHRDYUSJEGEPOO-RDTXWAMCSA-N 0 3 343.475 2.009 20 10 EECDHN CC(C)OCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894174601 682137459 /nfs/dbraw/zinc/13/74/59/682137459.db2.gz LWEFXESXXPNTIK-KRWDZBQOSA-N 0 3 336.480 2.080 20 10 EECDHN COc1ccc(CN[C@@H](C)C(=O)NCc2ccccc2)c(O)c1OC ZINC000892669787 682212684 /nfs/dbraw/zinc/21/26/84/682212684.db2.gz XEBGIXTXOBWFIK-ZDUSSCGKSA-N 0 3 344.411 2.204 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccon2)N(C)C)cc1 ZINC000899102191 693606518 /nfs/dbraw/zinc/60/65/18/693606518.db2.gz NVAYVADOHRJENJ-QGZVFWFLSA-N 0 3 345.447 2.185 20 10 EECDHN CC[C@@]1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCOC1 ZINC000899102120 693606544 /nfs/dbraw/zinc/60/65/44/693606544.db2.gz KFZLYOUQCQFZMX-IEBWSBKVSA-N 0 3 348.491 2.224 20 10 EECDHN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(OC)cc1[O-] ZINC001272624793 1190936996 /nfs/dbraw/zinc/93/69/96/1190936996.db2.gz CXXOVMFOFNSCNU-IAGOWNOFSA-N 0 3 348.443 2.003 20 10 EECDHN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(OC)cc1[O-] ZINC001272624793 1190937002 /nfs/dbraw/zinc/93/70/02/1190937002.db2.gz CXXOVMFOFNSCNU-IAGOWNOFSA-N 0 3 348.443 2.003 20 10 EECDHN CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982127 1194291127 /nfs/dbraw/zinc/29/11/27/1194291127.db2.gz GCAPMVHRGCEUTE-LJQANCHMSA-N 0 3 346.427 2.239 20 10 EECDHN CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982127 1194291130 /nfs/dbraw/zinc/29/11/30/1194291130.db2.gz GCAPMVHRGCEUTE-LJQANCHMSA-N 0 3 346.427 2.239 20 10 EECDHN O=C1N(CC(F)F)CCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001272988374 1194297193 /nfs/dbraw/zinc/29/71/93/1194297193.db2.gz QBONFKOTMAOXCV-UHFFFAOYSA-N 0 3 340.370 2.177 20 10 EECDHN CO[C@H](C)CN1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700308 1195092079 /nfs/dbraw/zinc/09/20/79/1195092079.db2.gz XCEMIYLXKOTLGP-DOMZBBRYSA-N 0 3 347.419 2.030 20 10 EECDHN O=c1cccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4[O-])[C@@H]3C2)[nH]1 ZINC001275267014 1205294211 /nfs/dbraw/zinc/29/42/11/1205294211.db2.gz IHZAPRAQUSMRLW-WMLDXEAASA-N 0 3 325.412 2.199 20 10 EECDHN O=c1cccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4[O-])[C@@H]3C2)[nH]1 ZINC001275267014 1205294212 /nfs/dbraw/zinc/29/42/12/1205294212.db2.gz IHZAPRAQUSMRLW-WMLDXEAASA-N 0 3 325.412 2.199 20 10 EECDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000827500858 1248296773 /nfs/dbraw/zinc/29/67/73/1248296773.db2.gz MFNCDVGTIHTMCB-DKTWLAJQSA-N 0 3 344.205 2.205 20 10 EECDHN CC(C)CNC(=O)[C@@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001273842603 1286684630 /nfs/dbraw/zinc/68/46/30/1286684630.db2.gz DWSLMSHDOADPJE-AWEZNQCLSA-N 0 3 348.443 2.178 20 10 EECDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCCO1 ZINC001234568769 1304972496 /nfs/dbraw/zinc/97/24/96/1304972496.db2.gz CGHKFOZKKZVGPX-SFHVURJKSA-N 0 3 345.395 2.318 20 10 EECDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)CCCO1 ZINC001234568769 1304972501 /nfs/dbraw/zinc/97/25/01/1304972501.db2.gz CGHKFOZKKZVGPX-SFHVURJKSA-N 0 3 345.395 2.318 20 10 EECDHN COc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000857061006 1293710532 /nfs/dbraw/zinc/71/05/32/1293710532.db2.gz HVKSXGSKXBZMHO-SFHVURJKSA-N 0 3 331.416 2.080 20 10 EECDHN CCOc1ccc(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)c([O-])c1 ZINC000857061255 1293711083 /nfs/dbraw/zinc/71/10/83/1293711083.db2.gz MZHCJLHFUZDBMZ-LJQANCHMSA-N 0 3 345.443 2.470 20 10 EECDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231586516 1303856044 /nfs/dbraw/zinc/85/60/44/1303856044.db2.gz IQKIZZBYIWNOFT-LIRRHRJNSA-N 0 3 327.380 2.167 20 10 EECDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC001231586516 1303856046 /nfs/dbraw/zinc/85/60/46/1303856046.db2.gz IQKIZZBYIWNOFT-LIRRHRJNSA-N 0 3 327.380 2.167 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)N4CC=CC4)O[C@H]3C2)c([O-])c1 ZINC001277568563 1303922556 /nfs/dbraw/zinc/92/25/56/1303922556.db2.gz SJCYKSIQQZQGKJ-AOIWGVFYSA-N 0 3 342.439 2.078 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](CC(=O)N4CC=CC4)O[C@H]3C2)c([O-])c1 ZINC001277568563 1303922560 /nfs/dbraw/zinc/92/25/60/1303922560.db2.gz SJCYKSIQQZQGKJ-AOIWGVFYSA-N 0 3 342.439 2.078 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCN(CCC(C)(C)O)CC1 ZINC001231854199 1303931869 /nfs/dbraw/zinc/93/18/69/1303931869.db2.gz BAHYZGVJDMZMPG-UHFFFAOYSA-N 0 3 335.492 2.040 20 10 EECDHN COc1cc([O-])c(CN(C2CC2)C2C[NH2+]C2)cc1Br ZINC001236063256 1305488712 /nfs/dbraw/zinc/48/87/12/1305488712.db2.gz DIRFDSAXTUCXJB-UHFFFAOYSA-N 0 3 327.222 2.100 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)c([O-])c1 ZINC001236788145 1305674998 /nfs/dbraw/zinc/67/49/98/1305674998.db2.gz SDGCVDQTGZAUAU-ZIFCJYIRSA-N 0 3 346.471 2.270 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)c([O-])c1 ZINC001236788145 1305675008 /nfs/dbraw/zinc/67/50/08/1305675008.db2.gz SDGCVDQTGZAUAU-ZIFCJYIRSA-N 0 3 346.471 2.270 20 10 EECDHN Cc1cccc(O)c1CN1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001237483692 1305952614 /nfs/dbraw/zinc/95/26/14/1305952614.db2.gz QYFJYRUGMULLKY-GOSISDBHSA-N 0 3 326.440 2.379 20 10 EECDHN CCOC(=O)CN(Cc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC001140309440 1314865270 /nfs/dbraw/zinc/86/52/70/1314865270.db2.gz GUXJHOHGIAPIJY-UHFFFAOYSA-N 0 3 345.487 2.356 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC3(CCCC(=O)N3)CC2)c(OC)c1 ZINC001141034772 1315022010 /nfs/dbraw/zinc/02/20/10/1315022010.db2.gz PWTNRBBLMLQVFN-UHFFFAOYSA-N 0 3 334.416 2.044 20 10 EECDHN CC(=O)N(C)[C@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078340 1315038071 /nfs/dbraw/zinc/03/80/71/1315038071.db2.gz SZACNEMQCSRYID-IBGZPJMESA-N 0 3 327.472 2.438 20 10 EECDHN Oc1ccc(O)c(CN2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c1 ZINC001141159714 1315051379 /nfs/dbraw/zinc/05/13/79/1315051379.db2.gz IVAGIYHZAXEHJO-AYBZRNKSSA-N 0 3 342.395 2.304 20 10 EECDHN O[C@@H]1[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CCCC1(F)F ZINC000840971905 1315448766 /nfs/dbraw/zinc/44/87/66/1315448766.db2.gz UTEQPXXYGHOQAH-GOEBONIOSA-N 0 3 344.377 2.301 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[NH+]2CC(COC)C2)c([O-])c1 ZINC001249726171 1317160120 /nfs/dbraw/zinc/16/01/20/1317160120.db2.gz XRYUKHORBNXYPL-UHFFFAOYSA-N 0 3 337.416 2.193 20 10 EECDHN NCc1cnccc1Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001159438987 1319801090 /nfs/dbraw/zinc/80/10/90/1319801090.db2.gz XFWNZNVJBNPIAA-UHFFFAOYSA-N 0 3 329.359 2.481 20 10 EECDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@]2(CO)C1 ZINC001203550192 1321910098 /nfs/dbraw/zinc/91/00/98/1321910098.db2.gz LDYSUUIJCPBAQI-HNAYVOBHSA-N 0 3 348.443 2.053 20 10 EECDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@]2(CO)C1 ZINC001203550192 1321910099 /nfs/dbraw/zinc/91/00/99/1321910099.db2.gz LDYSUUIJCPBAQI-HNAYVOBHSA-N 0 3 348.443 2.053 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001203555827 1321911461 /nfs/dbraw/zinc/91/14/61/1321911461.db2.gz HAWQRYCGQPQFBE-UYAOXDASSA-N 0 3 340.423 2.452 20 10 EECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001203555827 1321911463 /nfs/dbraw/zinc/91/14/63/1321911463.db2.gz HAWQRYCGQPQFBE-UYAOXDASSA-N 0 3 340.423 2.452 20 10 EECDHN CCOc1cccc(CN2CC[C@@H](Oc3ncc(F)cn3)C2)c1O ZINC001203617323 1321924514 /nfs/dbraw/zinc/92/45/14/1321924514.db2.gz NKSRGROSKWXORV-CQSZACIVSA-N 0 3 333.363 2.373 20 10 EECDHN COc1ccc(O)c(CN2CCC(Oc3nccc(OC)n3)CC2)c1 ZINC001203684076 1321940297 /nfs/dbraw/zinc/94/02/97/1321940297.db2.gz LUXBKAYXPCKUOG-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN CN(C)c1ccc(CN2CCN(Cc3ccccc3)[C@H](CO)C2)cc1 ZINC001203930494 1321992529 /nfs/dbraw/zinc/99/25/29/1321992529.db2.gz VQUPZSLMEJVISK-NRFANRHFSA-N 0 3 339.483 2.431 20 10 EECDHN O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001204273643 1322100422 /nfs/dbraw/zinc/10/04/22/1322100422.db2.gz DMJNAWPTSDZREE-QKDCVEJESA-N 0 3 330.428 2.225 20 10 EECDHN O=C(NC1CCC1)[C@H]1C[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001204273643 1322100427 /nfs/dbraw/zinc/10/04/27/1322100427.db2.gz DMJNAWPTSDZREE-QKDCVEJESA-N 0 3 330.428 2.225 20 10 EECDHN [O-]c1cc(O)ccc1C[NH+]1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001204274007 1322100591 /nfs/dbraw/zinc/10/05/91/1322100591.db2.gz YEHWHWDXCLGTJV-KBPBESRZSA-N 0 3 331.441 2.118 20 10 EECDHN CN(C)C(=O)N1CCCC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204275226 1322101234 /nfs/dbraw/zinc/10/12/34/1322101234.db2.gz ZNAVCSFEIJQCRS-UHFFFAOYSA-N 0 3 333.432 2.210 20 10 EECDHN CN1CCN(c2ccc(CN3CCC[C@@](C)(CO)C3)cc2F)CC1 ZINC001319823198 1332776903 /nfs/dbraw/zinc/77/69/03/1332776903.db2.gz JTWSXBUNWRIPCQ-LJQANCHMSA-N 0 3 335.467 2.172 20 10 EECDHN COc1ccc(N2CCN(C(=O)c3cccc4c3CNC4)CC2)cc1 ZINC000852772598 1369300075 /nfs/dbraw/zinc/30/00/75/1369300075.db2.gz OWZIKUWIUAZWSH-UHFFFAOYSA-N 0 3 337.423 2.261 20 10 EECDHN CC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Br)ccc1[O-] ZINC000717428983 1369669715 /nfs/dbraw/zinc/66/97/15/1369669715.db2.gz WYGZQRGVIXDJDZ-WCQYABFASA-N 0 3 331.254 2.118 20 10 EECDHN COc1cccc(CNC(=O)CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000182338404 778762097 /nfs/dbraw/zinc/76/20/97/778762097.db2.gz YZSMHROVPJBAEQ-CYBMUJFWSA-N 0 3 344.411 2.376 20 10 EECDHN COc1cc(NC(=O)CNCc2cccc(OC)c2O)cc(OC)c1 ZINC000822490269 787205399 /nfs/dbraw/zinc/20/53/99/787205399.db2.gz SNDUDPOKZIYVCN-UHFFFAOYSA-N 0 3 346.383 2.146 20 10 EECDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC(C)(C)C ZINC000123288813 796605701 /nfs/dbraw/zinc/60/57/01/796605701.db2.gz ZWWQMHQEBZLMCX-GJZGRUSLSA-N 0 3 333.476 2.477 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)OCCO)c1[O-] ZINC000808438258 812637995 /nfs/dbraw/zinc/63/79/95/812637995.db2.gz WWVOYKUKESACDX-UHFFFAOYSA-N 0 3 348.237 2.040 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c1[O-] ZINC000808706230 812813518 /nfs/dbraw/zinc/81/35/18/812813518.db2.gz ZLJRMBJIDNGHDW-LLVKDONJSA-N 0 3 334.869 2.332 20 10 EECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)CC2 ZINC000296636212 465228332 /nfs/dbraw/zinc/22/83/32/465228332.db2.gz BSHCFZHSZARNSY-TZMCWYRMSA-N 0 3 330.350 2.232 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000092011561 462919614 /nfs/dbraw/zinc/91/96/14/462919614.db2.gz PSYCKZAAUFUNTR-PBHICJAKSA-N 0 3 331.416 2.080 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000092011561 462919620 /nfs/dbraw/zinc/91/96/20/462919620.db2.gz PSYCKZAAUFUNTR-PBHICJAKSA-N 0 3 331.416 2.080 20 10 EECDHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000042797094 463597314 /nfs/dbraw/zinc/59/73/14/463597314.db2.gz WHRDXZUWNOFSRU-SFHVURJKSA-N 0 3 326.444 2.424 20 10 EECDHN CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000184995053 463732239 /nfs/dbraw/zinc/73/22/39/463732239.db2.gz CXLBKRMJMUKPNX-AWEZNQCLSA-N 0 3 345.487 2.132 20 10 EECDHN CS[C@H](CO)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268999311 463841584 /nfs/dbraw/zinc/84/15/84/463841584.db2.gz JJFIYSRNKPMYLR-OGHNNQOOSA-N 0 3 342.480 2.425 20 10 EECDHN C[C@H](NCCS(=O)(=O)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000290108690 464108629 /nfs/dbraw/zinc/10/86/29/464108629.db2.gz INJQXQXWHNVYDS-HNNXBMFYSA-N 0 3 339.505 2.219 20 10 EECDHN COc1cccc(CN(C)CCn2cc(Br)cn2)c1O ZINC000290241153 464112438 /nfs/dbraw/zinc/11/24/38/464112438.db2.gz USICBEDQLAPPBS-UHFFFAOYSA-N 0 3 340.221 2.492 20 10 EECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000271391010 464297372 /nfs/dbraw/zinc/29/73/72/464297372.db2.gz TZTYVSKHVWEOSY-CRAIPNDOSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000271391010 464297381 /nfs/dbraw/zinc/29/73/81/464297381.db2.gz TZTYVSKHVWEOSY-CRAIPNDOSA-N 0 3 345.443 2.470 20 10 EECDHN Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1[O-] ZINC000181015271 464434266 /nfs/dbraw/zinc/43/42/66/464434266.db2.gz XJOUHYWASGACSD-UHFFFAOYSA-N 0 3 340.489 2.240 20 10 EECDHN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1[O-] ZINC000189169480 464449390 /nfs/dbraw/zinc/44/93/90/464449390.db2.gz NMHHYGAMPLOLIW-CYBMUJFWSA-N 0 3 335.425 2.009 20 10 EECDHN C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000285499318 464585627 /nfs/dbraw/zinc/58/56/27/464585627.db2.gz AGBADUIMCYAYCB-QMTHXVAHSA-N 0 3 336.329 2.445 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000273087487 464703319 /nfs/dbraw/zinc/70/33/19/464703319.db2.gz RVBMJQMKFBEWQM-WOJBJXKFSA-N 0 3 345.487 2.258 20 10 EECDHN C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273361881 464712161 /nfs/dbraw/zinc/71/21/61/464712161.db2.gz AOCFMFFIFYQESF-ZIAGYGMSSA-N 0 3 349.431 2.452 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c([O-])c1 ZINC000273621927 464722946 /nfs/dbraw/zinc/72/29/46/464722946.db2.gz ZKLHRVIZJIBPJG-RDJZCZTQSA-N 0 3 333.476 2.294 20 10 EECDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000183623205 464888317 /nfs/dbraw/zinc/88/83/17/464888317.db2.gz AMWUOMRCNZFDIE-GFCCVEGCSA-N 0 3 340.470 2.391 20 10 EECDHN C[N@H+](CCOCCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000282711137 464918835 /nfs/dbraw/zinc/91/88/35/464918835.db2.gz KQLIHDWRTDEGOK-UHFFFAOYSA-N 0 3 331.412 2.412 20 10 EECDHN C[N@@H+](CCOCCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000282711137 464918837 /nfs/dbraw/zinc/91/88/37/464918837.db2.gz KQLIHDWRTDEGOK-UHFFFAOYSA-N 0 3 331.412 2.412 20 10 EECDHN COc1cc(Cl)cc(CN2CCN(C3CCOCC3)CC2)c1O ZINC000184697653 465020021 /nfs/dbraw/zinc/02/00/21/465020021.db2.gz GRVNDQPREGVKMB-UHFFFAOYSA-N 0 3 340.851 2.351 20 10 EECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1C ZINC000359869076 465499814 /nfs/dbraw/zinc/49/98/14/465499814.db2.gz KSIUAIUVAUPNKO-MRXNPFEDSA-N 0 3 339.439 2.476 20 10 EECDHN c1cc(N2CCOCC2)ccc1CNC[C@@H]1COC2(CCCC2)O1 ZINC000360054106 465527112 /nfs/dbraw/zinc/52/71/12/465527112.db2.gz AJDDLYHNVLORDH-GOSISDBHSA-N 0 3 332.444 2.299 20 10 EECDHN COc1cc([O-])c(C[N@H+](CCO)CCc2ccccc2)cc1OC ZINC000775696415 577443090 /nfs/dbraw/zinc/44/30/90/577443090.db2.gz KVCKMZHFRAYZMD-UHFFFAOYSA-N 0 3 331.412 2.446 20 10 EECDHN COc1cc([O-])c(C[N@@H+](CCO)CCc2ccccc2)cc1OC ZINC000775696415 577443091 /nfs/dbraw/zinc/44/30/91/577443091.db2.gz KVCKMZHFRAYZMD-UHFFFAOYSA-N 0 3 331.412 2.446 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H](C)[C@@H](C)C3)CC2)cc1 ZINC000766987484 577528534 /nfs/dbraw/zinc/52/85/34/577528534.db2.gz ANUPPUKQORLQGD-IRXDYDNUSA-N 0 3 345.487 2.322 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756389191 577843204 /nfs/dbraw/zinc/84/32/04/577843204.db2.gz AZZHHKGPUTVTQT-ZWNOBZJWSA-N 0 3 342.436 2.093 20 10 EECDHN C[C@H](NC1COC(C)(C)OC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000757704336 577862819 /nfs/dbraw/zinc/86/28/19/577862819.db2.gz JPRKWKMTKWYSNY-ZDUSSCGKSA-N 0 3 338.423 2.464 20 10 EECDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000745948617 577920716 /nfs/dbraw/zinc/92/07/16/577920716.db2.gz MSYLHMAPDALMRG-IAGOWNOFSA-N 0 3 345.487 2.464 20 10 EECDHN C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891248917 676244806 /nfs/dbraw/zinc/24/48/06/676244806.db2.gz OOSBYFGQLOKKOW-MJSCVDMRSA-N 0 3 333.476 2.285 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CC[C@H]2CCOC2)N(C)C)cc1 ZINC000891251083 676247604 /nfs/dbraw/zinc/24/76/04/676247604.db2.gz DIQYYJINIWULKS-YJBOKZPZSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CCCn2cccn2)N(C)C)cc1 ZINC000891256516 676252382 /nfs/dbraw/zinc/25/23/82/676252382.db2.gz YXKXDHQTDRQUFH-GOSISDBHSA-N 0 3 343.475 2.148 20 10 EECDHN CN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCCN(C)C1 ZINC000892492241 681202150 /nfs/dbraw/zinc/20/21/50/681202150.db2.gz NNTNOBGSQREVFL-KRWDZBQOSA-N 0 3 330.476 2.305 20 10 EECDHN COc1cc(C)cc(CNCc2cccc(S(C)(=O)=O)c2)c1O ZINC000894899697 683358243 /nfs/dbraw/zinc/35/82/43/683358243.db2.gz ZDJUJSIIOYGGLZ-UHFFFAOYSA-N 0 3 335.425 2.403 20 10 EECDHN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000310044371 683365384 /nfs/dbraw/zinc/36/53/84/683365384.db2.gz MUVNNKJSISQOMJ-AWEZNQCLSA-N 0 3 340.395 2.257 20 10 EECDHN Cc1ccc(CN2CCC[C@]23CCN(Cc2cnoc2)C3=O)c(O)c1 ZINC001272766835 1193488356 /nfs/dbraw/zinc/48/83/56/1193488356.db2.gz USAKCHIOHSDNEP-LJQANCHMSA-N 0 3 341.411 2.456 20 10 EECDHN CCOCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(O)ccc1O ZINC001272387422 1190795736 /nfs/dbraw/zinc/79/57/36/1190795736.db2.gz ZIBRBSGGMWEJDY-LJQANCHMSA-N 0 3 348.443 2.091 20 10 EECDHN CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619844 1190934474 /nfs/dbraw/zinc/93/44/74/1190934474.db2.gz ZXPWYTNFMLXHFT-CZUORRHYSA-N 0 3 330.428 2.088 20 10 EECDHN CC(C)=CCN1CC[C@]2(CC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982516 1194291230 /nfs/dbraw/zinc/29/12/30/1194291230.db2.gz JJQCHAVERDHDKS-IBGZPJMESA-N 0 3 330.428 2.488 20 10 EECDHN CC(C)=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982516 1194291234 /nfs/dbraw/zinc/29/12/34/1194291234.db2.gz JJQCHAVERDHDKS-IBGZPJMESA-N 0 3 330.428 2.488 20 10 EECDHN O=c1[nH]c2c(cc1CNCc1cc3c(cc1O)OCO3)CCCC2 ZINC000865879888 1198411858 /nfs/dbraw/zinc/41/18/58/1198411858.db2.gz RNNJOBBDXCJICT-UHFFFAOYSA-N 0 3 328.368 2.390 20 10 EECDHN CCOCCCNC(=O)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876578544 1199678291 /nfs/dbraw/zinc/67/82/91/1199678291.db2.gz RFJORQDDZUENER-UHFFFAOYSA-N 0 3 334.460 2.455 20 10 EECDHN CN(C)S(=O)(=O)c1ccc(CN(C)Cc2ccccc2O)cc1 ZINC000131926829 1202072421 /nfs/dbraw/zinc/07/24/21/1202072421.db2.gz VEXCMZBMMJAFJB-UHFFFAOYSA-N 0 3 334.441 2.275 20 10 EECDHN CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000131926829 1202072423 /nfs/dbraw/zinc/07/24/23/1202072423.db2.gz VEXCMZBMMJAFJB-UHFFFAOYSA-N 0 3 334.441 2.275 20 10 EECDHN CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000131926829 1202072426 /nfs/dbraw/zinc/07/24/26/1202072426.db2.gz VEXCMZBMMJAFJB-UHFFFAOYSA-N 0 3 334.441 2.275 20 10 EECDHN Cc1cnccc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325223 1202492726 /nfs/dbraw/zinc/49/27/26/1202492726.db2.gz YVNBSALOKSSVJU-UHFFFAOYSA-N 0 3 338.455 2.382 20 10 EECDHN CNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000138350279 1202525752 /nfs/dbraw/zinc/52/57/52/1202525752.db2.gz LJGJDHIZCXZZEL-CQSZACIVSA-N 0 3 340.489 2.122 20 10 EECDHN CCc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C2COC2)C3)c([O-])c1 ZINC001274657501 1205119208 /nfs/dbraw/zinc/11/92/08/1205119208.db2.gz YWCPCMXJCIESQH-FQEVSTJZSA-N 0 3 344.455 2.310 20 10 EECDHN CCc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(C2COC2)C3)c([O-])c1 ZINC001274657501 1205119210 /nfs/dbraw/zinc/11/92/10/1205119210.db2.gz YWCPCMXJCIESQH-FQEVSTJZSA-N 0 3 344.455 2.310 20 10 EECDHN CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000194097851 1211090149 /nfs/dbraw/zinc/09/01/49/1211090149.db2.gz SSPONVQDXDWJGS-UHFFFAOYSA-N 0 3 337.439 2.009 20 10 EECDHN NC(=O)CC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092660290 1214577320 /nfs/dbraw/zinc/57/73/20/1214577320.db2.gz PAOBQWWBJWLORE-OAHLLOKOSA-N 0 3 349.450 2.140 20 10 EECDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](C)N1CCOCC1 ZINC000858129680 1294015986 /nfs/dbraw/zinc/01/59/86/1294015986.db2.gz OOOFOZSWGHTMRB-OLZOCXBDSA-N 0 3 327.419 2.230 20 10 EECDHN COCCN1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072103205 1295242583 /nfs/dbraw/zinc/24/25/83/1295242583.db2.gz VICZRFIJNYTIFI-SWLSCSKDSA-N 0 3 347.419 2.078 20 10 EECDHN O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CCNC[C@H]3F)cccc21 ZINC001218064244 1297561234 /nfs/dbraw/zinc/56/12/34/1297561234.db2.gz IEADQQUPEZSFTC-TZMCWYRMSA-N 0 3 341.338 2.246 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c([O-])c1 ZINC001276814012 1298443404 /nfs/dbraw/zinc/44/34/04/1298443404.db2.gz ANHDEDUQRLBOIO-ROUUACIJSA-N 0 3 342.443 2.363 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c([O-])c1 ZINC001276814012 1298443408 /nfs/dbraw/zinc/44/34/08/1298443408.db2.gz ANHDEDUQRLBOIO-ROUUACIJSA-N 0 3 342.443 2.363 20 10 EECDHN O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276915172 1300243509 /nfs/dbraw/zinc/24/35/09/1300243509.db2.gz YZRDAEICVOXOJL-BEFRKJEDSA-N 0 3 348.418 2.317 20 10 EECDHN O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277191618 1301742204 /nfs/dbraw/zinc/74/22/04/1301742204.db2.gz DYXAQKIARKBDJH-BEFRKJEDSA-N 0 3 348.418 2.317 20 10 EECDHN O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277191618 1301742210 /nfs/dbraw/zinc/74/22/10/1301742210.db2.gz DYXAQKIARKBDJH-BEFRKJEDSA-N 0 3 348.418 2.317 20 10 EECDHN COc1cc(N2CCN(Cc3ccc(N(C)C)cc3O)CC2)ccn1 ZINC001232841987 1304267776 /nfs/dbraw/zinc/26/77/76/1304267776.db2.gz WBYSBBLAWAWTAX-UHFFFAOYSA-N 0 3 342.443 2.184 20 10 EECDHN CCc1ccc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c([O-])c1 ZINC001236791810 1305677841 /nfs/dbraw/zinc/67/78/41/1305677841.db2.gz LULKHWVWVHGOSI-UHFFFAOYSA-N 0 3 332.444 2.214 20 10 EECDHN CN1CCN(c2ccc(CN3CC[C@@H]4CCO[C@H]4C3)c(F)c2)CC1 ZINC001236933963 1305735671 /nfs/dbraw/zinc/73/56/71/1305735671.db2.gz AZSUUCNZGFJXNU-BEFAXECRSA-N 0 3 333.451 2.188 20 10 EECDHN COc1cc(CN2CCC[C@]3(CCCC(=O)N3)C2)c(O)c(OC)c1 ZINC001237673727 1306038263 /nfs/dbraw/zinc/03/82/63/1306038263.db2.gz MPSTWFIMGXXWMB-GOSISDBHSA-N 0 3 334.416 2.044 20 10 EECDHN CC(=O)c1csc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000832272991 1314668366 /nfs/dbraw/zinc/66/83/66/1314668366.db2.gz KZLNLVMRWUJYDV-HNNXBMFYSA-N 0 3 331.441 2.447 20 10 EECDHN [O-]c1ccc(F)cc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001140053906 1314805760 /nfs/dbraw/zinc/80/57/60/1314805760.db2.gz FAHFVGRKDSCANL-HOTGVXAUSA-N 0 3 327.403 2.490 20 10 EECDHN Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4cc(F)ccc4[O-])C[C@@H]3C2)cn1 ZINC001140054108 1314805841 /nfs/dbraw/zinc/80/58/41/1314805841.db2.gz JIVPDMPGEIIRGB-WBVHZDCISA-N 0 3 344.434 2.219 20 10 EECDHN Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cc(F)ccc4[O-])C[C@@H]3C2)cn1 ZINC001140054108 1314805843 /nfs/dbraw/zinc/80/58/43/1314805843.db2.gz JIVPDMPGEIIRGB-WBVHZDCISA-N 0 3 344.434 2.219 20 10 EECDHN O=S(=O)(CC[NH2+][C@H]1CCc2cccc([O-])c21)NCc1ccccc1 ZINC000834534698 1314848076 /nfs/dbraw/zinc/84/80/76/1314848076.db2.gz UFNNMJKZVWTLQR-INIZCTEOSA-N 0 3 346.452 2.089 20 10 EECDHN CC(=O)N1CCC(N(C)Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140664089 1314924853 /nfs/dbraw/zinc/92/48/53/1314924853.db2.gz YGCFDLKMJXIJNZ-UHFFFAOYSA-N 0 3 349.450 2.105 20 10 EECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCc2c1cnn2CCO ZINC000840931168 1315439914 /nfs/dbraw/zinc/43/99/14/1315439914.db2.gz UPQQURFTNIOZGB-GOSISDBHSA-N 0 3 328.460 2.417 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)c([O-])c1 ZINC001249207876 1317023147 /nfs/dbraw/zinc/02/31/47/1317023147.db2.gz LEDGFDBSNQHHKT-UHFFFAOYSA-N 0 3 345.399 2.179 20 10 EECDHN OCc1cn([C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001261245353 1322050042 /nfs/dbraw/zinc/05/00/42/1322050042.db2.gz YQDKEMIBZBKMMP-IBGZPJMESA-N 0 3 341.459 2.208 20 10 EECDHN c1cc(-c2nnn[n-]2)cc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001607122930 1351427288 /nfs/dbraw/zinc/42/72/88/1351427288.db2.gz CYQWTLPKJWMZMR-KRWDZBQOSA-N 0 3 333.395 2.059 20 10 EECDHN c1cc(-c2nn[n-]n2)cc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001607122930 1351427289 /nfs/dbraw/zinc/42/72/89/1351427289.db2.gz CYQWTLPKJWMZMR-KRWDZBQOSA-N 0 3 333.395 2.059 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000862532618 1369538027 /nfs/dbraw/zinc/53/80/27/1369538027.db2.gz JAOLIFBABJDZNB-IEBWSBKVSA-N 0 3 329.396 2.211 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)c([O-])c1 ZINC001140952456 1372725631 /nfs/dbraw/zinc/72/56/31/1372725631.db2.gz SJSGCWAAFCQCOF-KZNAEPCWSA-N 0 3 344.455 2.017 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)c([O-])c1 ZINC001140952456 1372725634 /nfs/dbraw/zinc/72/56/34/1372725634.db2.gz SJSGCWAAFCQCOF-KZNAEPCWSA-N 0 3 344.455 2.017 20 10 EECDHN CCN(CC)CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089835986 777476510 /nfs/dbraw/zinc/47/65/10/777476510.db2.gz PBMZIGSJNPMUGA-UHFFFAOYSA-N 0 3 334.439 2.205 20 10 EECDHN Cc1cnccc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000824086733 788045863 /nfs/dbraw/zinc/04/58/63/788045863.db2.gz ZEWWCLMIWCDSQW-GOSISDBHSA-N 0 3 338.455 2.382 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1Cl ZINC000824474210 788181691 /nfs/dbraw/zinc/18/16/91/788181691.db2.gz KFGGDTRRFVWIKX-LBPRGKRZSA-N 0 3 346.880 2.115 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1Cl ZINC000824474210 788181702 /nfs/dbraw/zinc/18/17/02/788181702.db2.gz KFGGDTRRFVWIKX-LBPRGKRZSA-N 0 3 346.880 2.115 20 10 EECDHN COc1cccc([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000846150719 790064191 /nfs/dbraw/zinc/06/41/91/790064191.db2.gz NORZCWZXKJITLT-MWLCHTKSSA-N 0 3 332.322 2.215 20 10 EECDHN COC(=O)[C@H](C)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CCC1 ZINC000792188285 809643972 /nfs/dbraw/zinc/64/39/72/809643972.db2.gz VFCBRQCVWRMORU-INIZCTEOSA-N 0 3 345.487 2.354 20 10 EECDHN CCOCCOC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808716780 812819414 /nfs/dbraw/zinc/81/94/14/812819414.db2.gz VQQFWFTXJSCXMP-TZMCWYRMSA-N 0 3 331.840 2.419 20 10 EECDHN CN(C)C(=O)COc1ccccc1CN(C)Cc1ccccc1O ZINC000091974449 237030481 /nfs/dbraw/zinc/03/04/81/237030481.db2.gz LFXRGOWPODCIEE-UHFFFAOYSA-N 0 3 328.412 2.491 20 10 EECDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1C ZINC000192723383 237334291 /nfs/dbraw/zinc/33/42/91/237334291.db2.gz PYUKTZNFFMUEDL-HNNXBMFYSA-N 0 3 328.460 2.480 20 10 EECDHN COc1cc([N+](=O)[O-])c(N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1OC ZINC000271112272 464280644 /nfs/dbraw/zinc/28/06/44/464280644.db2.gz QAERNCXEYPDWJP-DOMZBBRYSA-N 0 3 341.433 2.094 20 10 EECDHN COc1ccc(C(=O)NCC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296242205 465126819 /nfs/dbraw/zinc/12/68/19/465126819.db2.gz AVUKCDMKGDICGV-MRXNPFEDSA-N 0 3 326.396 2.408 20 10 EECDHN CN(C)c1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1F ZINC000131106055 462793367 /nfs/dbraw/zinc/79/33/67/462793367.db2.gz RUAUNKVNKQXKGC-QGZVFWFLSA-N 0 3 335.467 2.436 20 10 EECDHN O=C(CC1CCN(Cc2cc3c(cc2O)OCO3)CC1)N1CCCC1 ZINC000077442371 462984545 /nfs/dbraw/zinc/98/45/45/462984545.db2.gz DNTGXWUILJCKEL-UHFFFAOYSA-N 0 3 346.427 2.345 20 10 EECDHN CC(C)NS(=O)(=O)CCN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185970986 463914629 /nfs/dbraw/zinc/91/46/29/463914629.db2.gz SFFVHIACTLGZGJ-CYBMUJFWSA-N 0 3 340.489 2.249 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(C)CCC3CC3)CC2)cc1 ZINC000179245740 464088960 /nfs/dbraw/zinc/08/89/60/464088960.db2.gz UEEUWPXTGOISBI-UHFFFAOYSA-N 0 3 331.460 2.076 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCS(C)(=O)=O)c1[O-] ZINC000187109746 464098801 /nfs/dbraw/zinc/09/88/01/464098801.db2.gz JXXCULLSKVNIRM-SECBINFHSA-N 0 3 336.251 2.158 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290390754 464117319 /nfs/dbraw/zinc/11/73/19/464117319.db2.gz IUXISTDMNJZZCC-LBPRGKRZSA-N 0 3 338.835 2.499 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290390754 464117322 /nfs/dbraw/zinc/11/73/22/464117322.db2.gz IUXISTDMNJZZCC-LBPRGKRZSA-N 0 3 338.835 2.499 20 10 EECDHN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000179886396 464203447 /nfs/dbraw/zinc/20/34/47/464203447.db2.gz VHGBNXAHAGHRDL-CYBMUJFWSA-N 0 3 334.441 2.493 20 10 EECDHN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293712522 464418009 /nfs/dbraw/zinc/41/80/09/464418009.db2.gz MAJHZKHBXLSRCI-CQSZACIVSA-N 0 3 340.489 2.474 20 10 EECDHN CN(C)c1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1F ZINC000285464257 464574106 /nfs/dbraw/zinc/57/41/06/464574106.db2.gz KCBIEFDWLBBXIB-HNNXBMFYSA-N 0 3 349.372 2.244 20 10 EECDHN c1ncn(CC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000189970608 464575230 /nfs/dbraw/zinc/57/52/30/464575230.db2.gz LLOJIZHZEKPFJX-UHFFFAOYSA-N 0 3 341.459 2.027 20 10 EECDHN COCCOCCOCCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000274697982 464752790 /nfs/dbraw/zinc/75/27/90/464752790.db2.gz XCGZIJMFPKMQQM-CQSZACIVSA-N 0 3 327.421 2.121 20 10 EECDHN CNC(=O)C[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000298717083 465482484 /nfs/dbraw/zinc/48/24/84/465482484.db2.gz YHZLKHHULGTSQL-MELADBBJSA-N 0 3 337.439 2.054 20 10 EECDHN COc1cc(Br)cc(CN2CC[NH+]3CCC2CC3)c1[O-] ZINC000367662441 466477331 /nfs/dbraw/zinc/47/73/31/466477331.db2.gz BJHCJJPCEWWKHX-UHFFFAOYSA-N 0 3 341.249 2.443 20 10 EECDHN CC[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370782182 467003309 /nfs/dbraw/zinc/00/33/09/467003309.db2.gz RPTYZSNVBSEFGS-AWEZNQCLSA-N 0 3 327.375 2.110 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000374389677 467045136 /nfs/dbraw/zinc/04/51/36/467045136.db2.gz GJGJGQKIEAZIJR-ZWKOTPCHSA-N 0 3 345.487 2.069 20 10 EECDHN COc1cc(O)c(CN[C@H]2Cc3ccccc3NC2=O)cc1OC ZINC000529669997 467893328 /nfs/dbraw/zinc/89/33/28/467893328.db2.gz ZHWWKPWVISANGP-AWEZNQCLSA-N 0 3 328.368 2.062 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530228041 467965691 /nfs/dbraw/zinc/96/56/91/467965691.db2.gz XSSGBGMJXLJIMJ-CMPLNLGQSA-N 0 3 329.238 2.102 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1[C@@H](C)CCC[C@@H]1C)cc2=O ZINC000104078679 528319021 /nfs/dbraw/zinc/31/90/21/528319021.db2.gz GQZXQHJIXDBAFA-RYUDHWBXSA-N 0 3 332.404 2.375 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(CC)CC3)C2)c([O-])c1 ZINC000093133197 528664737 /nfs/dbraw/zinc/66/47/37/528664737.db2.gz OWFLVLZSLSMGNK-GOSISDBHSA-N 0 3 347.503 2.393 20 10 EECDHN CCCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(CC)CC3)C2)c([O-])c1 ZINC000093133197 528664743 /nfs/dbraw/zinc/66/47/43/528664743.db2.gz OWFLVLZSLSMGNK-GOSISDBHSA-N 0 3 347.503 2.393 20 10 EECDHN CN(C)C(=O)CCN1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000733327796 577222801 /nfs/dbraw/zinc/22/28/01/577222801.db2.gz HAESLEIHDTZWPX-UHFFFAOYSA-N 0 3 339.867 2.078 20 10 EECDHN CN(C)C(=O)CC[NH+]1CCC(NCc2c([O-])cccc2Cl)CC1 ZINC000733327796 577222802 /nfs/dbraw/zinc/22/28/02/577222802.db2.gz HAESLEIHDTZWPX-UHFFFAOYSA-N 0 3 339.867 2.078 20 10 EECDHN CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000775534744 577439122 /nfs/dbraw/zinc/43/91/22/577439122.db2.gz HUTVZUYCRUNBPA-RCBQFDQVSA-N 0 3 328.416 2.360 20 10 EECDHN CCN(CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)S(C)(=O)=O ZINC000756441102 577844280 /nfs/dbraw/zinc/84/42/80/577844280.db2.gz HYUNEBIYNPEMKW-AAEUAGOBSA-N 0 3 344.452 2.341 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c([O-])c1 ZINC000756446532 577844388 /nfs/dbraw/zinc/84/43/88/577844388.db2.gz RQHPZPUCMGWYMU-HNNXBMFYSA-N 0 3 348.468 2.471 20 10 EECDHN CC[C@](C)(CC(=O)OC)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000748242310 577958085 /nfs/dbraw/zinc/95/80/85/577958085.db2.gz KXSMPLFKQWFTDU-GOSISDBHSA-N 0 3 338.423 2.484 20 10 EECDHN COCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891247268 676241756 /nfs/dbraw/zinc/24/17/56/676241756.db2.gz HVYHRTKGOQNYNN-KRWDZBQOSA-N 0 3 333.476 2.288 20 10 EECDHN CC[C@@H]1CC[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891251600 676248317 /nfs/dbraw/zinc/24/83/17/676248317.db2.gz HCIZFBJMEOUDJB-SQNIBIBYSA-N 0 3 333.476 2.429 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccncc2)N(C)C)cc1 ZINC000891426207 676580686 /nfs/dbraw/zinc/58/06/86/676580686.db2.gz HAYPDFQAKFDUSB-GOSISDBHSA-N 0 3 341.459 2.250 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCCOC2)N(C)C)cc1 ZINC000892204987 678247558 /nfs/dbraw/zinc/24/75/58/678247558.db2.gz DPJSSZLUVZWFKG-MAUKXSAKSA-N 0 3 348.491 2.081 20 10 EECDHN COc1ccc(CNCc2cccc(C(=O)N(C)C)c2)c(O)c1OC ZINC000892510845 681324131 /nfs/dbraw/zinc/32/41/31/681324131.db2.gz WBZJIQHMONTLDI-UHFFFAOYSA-N 0 3 344.411 2.401 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCC2=CCCOC2)N(C)C)cc1 ZINC000894861066 683222060 /nfs/dbraw/zinc/22/20/60/683222060.db2.gz OPDTZSQXAMVBLG-SFHVURJKSA-N 0 3 346.475 2.001 20 10 EECDHN COc1cc(C)cc(CNC[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000895439571 684601052 /nfs/dbraw/zinc/60/10/52/684601052.db2.gz HMBQYBVMDJORKT-GFCCVEGCSA-N 0 3 330.310 2.194 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CC[C@H](O)C2CC2)c1[O-] ZINC000898207029 691894215 /nfs/dbraw/zinc/89/42/15/691894215.db2.gz YQKNMDWUCFEUIR-LBPRGKRZSA-N 0 3 330.222 2.414 20 10 EECDHN COCCCN1CC[C@]2(CCCN2Cc2ccc(O)c(C)c2O)C1=O ZINC001272660126 1190978057 /nfs/dbraw/zinc/97/80/57/1190978057.db2.gz KHUILAQDOYEIKT-LJQANCHMSA-N 0 3 348.443 2.010 20 10 EECDHN COc1cc(CN2CC[C@]3(CCN(CC(C)C)C3=O)C2)cc(O)c1O ZINC001272987620 1194296170 /nfs/dbraw/zinc/29/61/70/1194296170.db2.gz FHNAMVXNFPTONC-IBGZPJMESA-N 0 3 348.443 2.187 20 10 EECDHN COc1ccc(CNC[C@](C)(O)C(F)(F)F)cc1Cn1cccn1 ZINC000873097587 1198499403 /nfs/dbraw/zinc/49/94/03/1198499403.db2.gz SLYWAZRSUGFVIA-HNNXBMFYSA-N 0 3 343.349 2.343 20 10 EECDHN Cn1c2ccccc2cc(CNCc2cc3c(cc2O)OCO3)c1=O ZINC000813790241 1199175227 /nfs/dbraw/zinc/17/52/27/1199175227.db2.gz KYDIMDRJPJRGPU-UHFFFAOYSA-N 0 3 338.363 2.263 20 10 EECDHN COC(=O)c1cc(CNC[C@@H]2CCN(c3ccc(OC)cc3)C2)on1 ZINC000877597912 1199976740 /nfs/dbraw/zinc/97/67/40/1199976740.db2.gz CGAVSVQNQVDFRG-ZDUSSCGKSA-N 0 3 345.399 2.086 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879647616 1201193227 /nfs/dbraw/zinc/19/32/27/1201193227.db2.gz GFHVRRWQLUKPCW-GZBFAFLISA-N 0 3 333.432 2.447 20 10 EECDHN CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882980094 1201990138 /nfs/dbraw/zinc/99/01/38/1201990138.db2.gz YOKMQJQBDGMTBW-ZDUSSCGKSA-N 0 3 327.419 2.034 20 10 EECDHN COc1ccc(CN[C@H]2CCCC23OCCO3)cc1Cn1cccn1 ZINC000883178016 1202026620 /nfs/dbraw/zinc/02/66/20/1202026620.db2.gz NNFLJYZZXWXLFT-SFHVURJKSA-N 0 3 343.427 2.325 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@H](N)CC3CC3)cc2F)C[C@@H](C)O1 ZINC000884194770 1202259057 /nfs/dbraw/zinc/25/90/57/1202259057.db2.gz RBPCJNGAEKZQHE-PBFPGSCMSA-N 0 3 349.450 2.183 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C4COC4)C3=O)C2)c([O-])c1 ZINC001274780093 1205161211 /nfs/dbraw/zinc/16/12/11/1205161211.db2.gz RDGCEOYMUDCENF-HXUWFJFHSA-N 0 3 344.455 2.339 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CC[C@@]3(CCN(C4COC4)C3=O)C2)c([O-])c1 ZINC001274780093 1205161214 /nfs/dbraw/zinc/16/12/14/1205161214.db2.gz RDGCEOYMUDCENF-HXUWFJFHSA-N 0 3 344.455 2.339 20 10 EECDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(F)nc3)cc2)C1 ZINC000778159866 1207745923 /nfs/dbraw/zinc/74/59/23/1207745923.db2.gz QCHWHDGETFRKNR-MRXNPFEDSA-N 0 3 342.418 2.212 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)NC3(CCCC3)C2=O)N(C)C)cc1 ZINC000900186345 1234074242 /nfs/dbraw/zinc/07/42/42/1234074242.db2.gz YHYDMPYPIUIJPO-MRXNPFEDSA-N 0 3 344.459 2.220 20 10 EECDHN C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000800866254 1234700943 /nfs/dbraw/zinc/70/09/43/1234700943.db2.gz WHJDWZUYRWWMIM-KRWDZBQOSA-N 0 3 344.367 2.401 20 10 EECDHN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000800866254 1234700945 /nfs/dbraw/zinc/70/09/45/1234700945.db2.gz WHJDWZUYRWWMIM-KRWDZBQOSA-N 0 3 344.367 2.401 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2COCCO2)c1[O-] ZINC000827139479 1250229623 /nfs/dbraw/zinc/22/96/23/1250229623.db2.gz BGWBVDTXZUDGMD-CYBMUJFWSA-N 0 3 330.222 2.310 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2COCCO2)c1[O-] ZINC000827139479 1250229636 /nfs/dbraw/zinc/22/96/36/1250229636.db2.gz BGWBVDTXZUDGMD-CYBMUJFWSA-N 0 3 330.222 2.310 20 10 EECDHN COC(=O)CCN1CCN(Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815085074 1278051632 /nfs/dbraw/zinc/05/16/32/1278051632.db2.gz KEJRZLJEUXUPFK-INIZCTEOSA-N 0 3 333.476 2.130 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CCC34C[NH2+]C4)cccc21 ZINC001218240240 1297612929 /nfs/dbraw/zinc/61/29/29/1297612929.db2.gz LZBACLPWAUMOMO-HNNXBMFYSA-N 0 3 335.359 2.298 20 10 EECDHN CCc1ccc(C[NH+]2CCC3(CN(COCCOC)C3)CC2)c([O-])c1 ZINC001276805337 1298036475 /nfs/dbraw/zinc/03/64/75/1298036475.db2.gz UGYLYTPYUFEBJQ-UHFFFAOYSA-N 0 3 348.487 2.473 20 10 EECDHN Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2ccc(O)cc2[O-])C3)c1C ZINC001277193224 1301749167 /nfs/dbraw/zinc/74/91/67/1301749167.db2.gz ZXONXAIVWHBCQW-FZKQIMNGSA-N 0 3 343.383 2.163 20 10 EECDHN Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2ccc(O)cc2[O-])C3)c1C ZINC001277193224 1301749171 /nfs/dbraw/zinc/74/91/71/1301749171.db2.gz ZXONXAIVWHBCQW-FZKQIMNGSA-N 0 3 343.383 2.163 20 10 EECDHN Cc1cccc(CN2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c1O ZINC001231594257 1303860568 /nfs/dbraw/zinc/86/05/68/1303860568.db2.gz AFORRAOOIPGXMV-HNNXBMFYSA-N 0 3 348.443 2.426 20 10 EECDHN COc1cc([O-])c(CN2CCN(CCC[NH+](C)C)CC2)cc1Cl ZINC001232270261 1304060074 /nfs/dbraw/zinc/06/00/74/1304060074.db2.gz ZTTRMBSNBQPZIN-UHFFFAOYSA-N 0 3 341.883 2.124 20 10 EECDHN COc1cc([O-])c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC001232271518 1304061411 /nfs/dbraw/zinc/06/14/11/1304061411.db2.gz VQNLXPYADJIPJT-AWEZNQCLSA-N 0 3 340.851 2.351 20 10 EECDHN COC(=O)c1c(CN2C[C@@H](C)N(C)[C@@H](C)C2)c2ccccc2n1C ZINC001232406044 1304110326 /nfs/dbraw/zinc/11/03/26/1304110326.db2.gz RLSBICFMQBXOII-OKILXGFUSA-N 0 3 329.444 2.489 20 10 EECDHN CCOC(=O)c1c(CN2CCN(CC)CC2)c2ccccc2n1C ZINC001233270449 1304412521 /nfs/dbraw/zinc/41/25/21/1304412521.db2.gz OLTRQUSVNDBMAG-UHFFFAOYSA-N 0 3 329.444 2.493 20 10 EECDHN COc1ccc2ccc([O-])c(C[NH+]3CC4(C3)CCN(C)C4=O)c2c1 ZINC001234579126 1304975491 /nfs/dbraw/zinc/97/54/91/1304975491.db2.gz VVSZGOJZEYAXBW-UHFFFAOYSA-N 0 3 326.396 2.218 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001237488977 1305955967 /nfs/dbraw/zinc/95/59/67/1305955967.db2.gz SUBZFZQZKAGLCR-UZLBHIALSA-N 0 3 346.471 2.311 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001237488977 1305955971 /nfs/dbraw/zinc/95/59/71/1305955971.db2.gz SUBZFZQZKAGLCR-UZLBHIALSA-N 0 3 346.471 2.311 20 10 EECDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3cc(F)cc(C)c3[O-])CC[C@@H]21 ZINC001238061273 1306205284 /nfs/dbraw/zinc/20/52/84/1306205284.db2.gz LCHJBNUNXUJCKN-DLBZAZTESA-N 0 3 336.407 2.051 20 10 EECDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3cc(F)cc(C)c3[O-])CC[C@@H]21 ZINC001238061273 1306205291 /nfs/dbraw/zinc/20/52/91/1306205291.db2.gz LCHJBNUNXUJCKN-DLBZAZTESA-N 0 3 336.407 2.051 20 10 EECDHN Cc1ccc(C)c(CN2CC[C@@H]3C[C@@]32C(=O)NCc2c[nH]cn2)c1O ZINC001278357741 1309757979 /nfs/dbraw/zinc/75/79/79/1309757979.db2.gz MLXVKEBVLBFNJT-KUHUBIRLSA-N 0 3 340.427 2.013 20 10 EECDHN COC(=O)[C@H]1COCCC12CN(Cc1c(C)n(C)c3ccccc13)C2 ZINC001138258055 1314583041 /nfs/dbraw/zinc/58/30/41/1314583041.db2.gz JONBGACEQJFYCX-QGZVFWFLSA-N 0 3 342.439 2.498 20 10 EECDHN Cc1ccc(O)c(CN2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c1 ZINC001140624413 1314917070 /nfs/dbraw/zinc/91/70/70/1314917070.db2.gz VVRCZRBUDTVMGW-INIZCTEOSA-N 0 3 348.443 2.426 20 10 EECDHN CC(C)[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CCN1 ZINC000841852000 1315623726 /nfs/dbraw/zinc/62/37/26/1315623726.db2.gz UJYQOLOCYSBZAB-OAHLLOKOSA-N 0 3 344.484 2.386 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4COC(=O)N[C@H]4C3)c2c1 ZINC000842644302 1315743830 /nfs/dbraw/zinc/74/38/30/1315743830.db2.gz VHUMQLZLHOIPAD-DYVFJYSZSA-N 0 3 342.395 2.484 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4COC(=O)N[C@H]4C3)c2c1 ZINC000842644302 1315743835 /nfs/dbraw/zinc/74/38/35/1315743835.db2.gz VHUMQLZLHOIPAD-DYVFJYSZSA-N 0 3 342.395 2.484 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c([O-])c1 ZINC001249207843 1317022957 /nfs/dbraw/zinc/02/29/57/1317022957.db2.gz JWOAOUIXSIVMGS-INIZCTEOSA-N 0 3 341.354 2.108 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c([O-])c1 ZINC001249207843 1317022965 /nfs/dbraw/zinc/02/29/65/1317022965.db2.gz JWOAOUIXSIVMGS-INIZCTEOSA-N 0 3 341.354 2.108 20 10 EECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCC(F)(F)C(F)F ZINC001251584560 1317472894 /nfs/dbraw/zinc/47/28/94/1317472894.db2.gz YSRMVFJEMJUEGD-LBPRGKRZSA-N 0 3 339.329 2.492 20 10 EECDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCC(F)(F)C(F)F ZINC001251584560 1317472897 /nfs/dbraw/zinc/47/28/97/1317472897.db2.gz YSRMVFJEMJUEGD-LBPRGKRZSA-N 0 3 339.329 2.492 20 10 EECDHN O=C(C[C@H]1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]12)NCc1ccco1 ZINC001203552360 1321910581 /nfs/dbraw/zinc/91/05/81/1321910581.db2.gz LCKNWFIZSFGPHG-BJWYYQGGSA-N 0 3 326.396 2.370 20 10 EECDHN O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]12)NCc1ccco1 ZINC001203552360 1321910583 /nfs/dbraw/zinc/91/05/83/1321910583.db2.gz LCKNWFIZSFGPHG-BJWYYQGGSA-N 0 3 326.396 2.370 20 10 EECDHN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)C3CCOCC3)C2)cc1 ZINC001203936719 1321994830 /nfs/dbraw/zinc/99/48/30/1321994830.db2.gz JOMUWTWKIAMNRD-GOSISDBHSA-N 0 3 345.487 2.260 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4COC[C@H](C3)N4C)c2c1 ZINC001276559188 1324338680 /nfs/dbraw/zinc/33/86/80/1324338680.db2.gz QMYNRLGLVCPNEI-GASCZTMLSA-N 0 3 328.412 2.069 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4COC[C@H](C3)N4C)c2c1 ZINC001276559188 1324338686 /nfs/dbraw/zinc/33/86/86/1324338686.db2.gz QMYNRLGLVCPNEI-GASCZTMLSA-N 0 3 328.412 2.069 20 10 EECDHN CN(c1ccc(CNCc2ccc3c(c2)CCO3)cc1)S(C)(=O)=O ZINC001308246503 1331578071 /nfs/dbraw/zinc/57/80/71/1331578071.db2.gz DGEUDVWSIVIMEU-UHFFFAOYSA-N 0 3 346.452 2.307 20 10 EECDHN CO[C@@H](C)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001355311761 1338705462 /nfs/dbraw/zinc/70/54/62/1338705462.db2.gz GKVRRMKIEFCTNR-WMLDXEAASA-N 0 3 336.480 2.080 20 10 EECDHN C[C@@H](CN(C)Cc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C ZINC000862541292 1369538427 /nfs/dbraw/zinc/53/84/27/1369538427.db2.gz SNTLQHMIZRCSEH-NSHDSACASA-N 0 3 338.404 2.466 20 10 EECDHN CCCCCNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839541823 1372909619 /nfs/dbraw/zinc/90/96/19/1372909619.db2.gz NBQYEPPGQYTNCV-MRXNPFEDSA-N 0 3 333.476 2.480 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](N4CCOCC4)C3)c2c1 ZINC000172960145 1405744071 /nfs/dbraw/zinc/74/40/71/1405744071.db2.gz VQRLUMVWEBJOLT-INIZCTEOSA-N 0 3 342.439 2.461 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](N4CCOCC4)C3)c2c1 ZINC000172960145 1405744075 /nfs/dbraw/zinc/74/40/75/1405744075.db2.gz VQRLUMVWEBJOLT-INIZCTEOSA-N 0 3 342.439 2.461 20 10 EECDHN C[S@@](=O)C[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000154717862 769075969 /nfs/dbraw/zinc/07/59/69/769075969.db2.gz JZWPUTMZNXTHAL-PSLXWICFSA-N 0 3 333.409 2.330 20 10 EECDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)c(C)n1-c1cccc(C)c1 ZINC000819824700 785698876 /nfs/dbraw/zinc/69/88/76/785698876.db2.gz MIJYLFLSPUPSKR-INIZCTEOSA-N 0 3 329.444 2.055 20 10 EECDHN CN(C)c1ccc(CN[C@H]2CCC(=O)N(C)C2=O)c(C(F)(F)F)c1 ZINC000822520919 787232329 /nfs/dbraw/zinc/23/23/29/787232329.db2.gz RQMJAVXJPUULMT-ZDUSSCGKSA-N 0 3 343.349 2.008 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CCO[C@H]2CCOC2)c1[O-] ZINC000922939032 788363058 /nfs/dbraw/zinc/36/30/58/788363058.db2.gz JZOWGNKNQFCIOU-LBPRGKRZSA-N 0 3 346.221 2.058 20 10 EECDHN CCOC[C@@H]1CN(Cc2c(O)cc(O)cc2O)Cc2cn(CC)nc21 ZINC001144508776 789908960 /nfs/dbraw/zinc/90/89/60/789908960.db2.gz XWWHYRCCDQJFNU-ZDUSSCGKSA-N 0 3 347.415 2.156 20 10 EECDHN COC(=O)c1cc(CN(C)CCN(C)c2ccc(OC)cc2)c[nH]1 ZINC000846053593 790039226 /nfs/dbraw/zinc/03/92/26/790039226.db2.gz ZQBSDFVHHFSZJT-UHFFFAOYSA-N 0 3 331.416 2.378 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]3[C@H](CCN3CCF)C2)cc1 ZINC001036905856 796451236 /nfs/dbraw/zinc/45/12/36/796451236.db2.gz QFCSAQSHESAHPX-HIFRSBDPSA-N 0 3 347.394 2.355 20 10 EECDHN O=[N+]([O-])c1cc(CNC[C@H]2COCCO2)ccc1N1CCCCC1 ZINC000916840055 797913728 /nfs/dbraw/zinc/91/37/28/797913728.db2.gz ZWIAUNWCCFEHFQ-HNNXBMFYSA-N 0 3 335.404 2.090 20 10 EECDHN Cc1cc(CNCCCNC(=O)c2ccc(N=NC(N)=O)cc2)on1 ZINC001177237614 798815483 /nfs/dbraw/zinc/81/54/83/798815483.db2.gz GDOKUEONQDOAIG-UHFFFAOYSA-N 0 3 344.375 2.055 20 10 EECDHN C[C@H](NCCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000132223087 798992082 /nfs/dbraw/zinc/99/20/82/798992082.db2.gz DWBUUVREDDTUKN-ZDUSSCGKSA-N 0 3 339.867 2.306 20 10 EECDHN CCN(C(=O)CNCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000922476976 801141393 /nfs/dbraw/zinc/14/13/93/801141393.db2.gz PHEZBNHZADHGTO-UHFFFAOYSA-N 0 3 328.368 2.264 20 10 EECDHN CCN1CCC[C@H](NCc2ccc(OC)c(Cn3cccn3)c2)C1=O ZINC000922638987 801560804 /nfs/dbraw/zinc/56/08/04/801560804.db2.gz JOFPSCVVLLCILT-KRWDZBQOSA-N 0 3 342.443 2.041 20 10 EECDHN Cc1cc(Br)c([O-])c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000787307913 807084018 /nfs/dbraw/zinc/08/40/18/807084018.db2.gz YSEJVPVKXVXJII-BETUJISGSA-N 0 3 325.250 2.457 20 10 EECDHN Cc1cc(Br)c([O-])c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000787307913 807084025 /nfs/dbraw/zinc/08/40/25/807084025.db2.gz YSEJVPVKXVXJII-BETUJISGSA-N 0 3 325.250 2.457 20 10 EECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000350288980 238200837 /nfs/dbraw/zinc/20/08/37/238200837.db2.gz SWWCITGVNPYHFT-HNNXBMFYSA-N 0 3 326.444 2.476 20 10 EECDHN C[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)N(C)C1CC1 ZINC000108796471 274220528 /nfs/dbraw/zinc/22/05/28/274220528.db2.gz UDMRNPJSMOWFLM-YKXBDCQTSA-N 0 3 343.471 2.135 20 10 EECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H](c3nnc[nH]3)C[C@@H]2O)c1[O-] ZINC000527587453 317223193 /nfs/dbraw/zinc/22/31/93/317223193.db2.gz LPDXRQYXDDXANO-SUNKGSAMSA-N 0 3 336.823 2.116 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000296154171 465097450 /nfs/dbraw/zinc/09/74/50/465097450.db2.gz WEYKOHCMGGHDLJ-GFCCVEGCSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@H+]2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000296154171 465097457 /nfs/dbraw/zinc/09/74/57/465097457.db2.gz WEYKOHCMGGHDLJ-GFCCVEGCSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000296154171 465097463 /nfs/dbraw/zinc/09/74/63/465097463.db2.gz WEYKOHCMGGHDLJ-GFCCVEGCSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CC[N@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000296154171 465097469 /nfs/dbraw/zinc/09/74/69/465097469.db2.gz WEYKOHCMGGHDLJ-GFCCVEGCSA-N 0 3 335.404 2.225 20 10 EECDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000152925336 462596292 /nfs/dbraw/zinc/59/62/92/462596292.db2.gz QWZZZAFHAUQLKT-QGZVFWFLSA-N 0 3 335.473 2.198 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cc1F ZINC000155900633 462957128 /nfs/dbraw/zinc/95/71/28/462957128.db2.gz XEYHDKVFROCYFT-QGZVFWFLSA-N 0 3 337.439 2.069 20 10 EECDHN C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000268884194 463794957 /nfs/dbraw/zinc/79/49/57/463794957.db2.gz KVIYYDOHDDEZNK-RDTXWAMCSA-N 0 3 341.459 2.332 20 10 EECDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185345182 463806281 /nfs/dbraw/zinc/80/62/81/463806281.db2.gz IZFHGCLBFDXUGD-CVEARBPZSA-N 0 3 335.492 2.325 20 10 EECDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000186082068 463933704 /nfs/dbraw/zinc/93/37/04/463933704.db2.gz UFWFFXHQJPRPRU-ZFWWWQNUSA-N 0 3 328.416 2.280 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000186082068 463933711 /nfs/dbraw/zinc/93/37/11/463933711.db2.gz UFWFFXHQJPRPRU-ZFWWWQNUSA-N 0 3 328.416 2.280 20 10 EECDHN CSC[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000292357763 464206753 /nfs/dbraw/zinc/20/67/53/464206753.db2.gz HYSQTLKZCLLNRQ-MRXNPFEDSA-N 0 3 335.517 2.444 20 10 EECDHN CN(C)CCOc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000237186895 464279748 /nfs/dbraw/zinc/27/97/48/464279748.db2.gz VRGMLPKEEHYSEZ-UHFFFAOYSA-N 0 3 327.428 2.068 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000180727920 464381259 /nfs/dbraw/zinc/38/12/59/464381259.db2.gz UTOGCHULXOEOIB-DYVFJYSZSA-N 0 3 331.416 2.080 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000180727920 464381262 /nfs/dbraw/zinc/38/12/62/464381262.db2.gz UTOGCHULXOEOIB-DYVFJYSZSA-N 0 3 331.416 2.080 20 10 EECDHN COc1cc([O-])c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000271835394 464393041 /nfs/dbraw/zinc/39/30/41/464393041.db2.gz FMPOECJCNCSLHC-AWEZNQCLSA-N 0 3 349.402 2.489 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000245561166 464495342 /nfs/dbraw/zinc/49/53/42/464495342.db2.gz NIOVDBJUBXATRZ-YQQAZPJKSA-N 0 3 334.460 2.474 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000245561166 464495345 /nfs/dbraw/zinc/49/53/45/464495345.db2.gz NIOVDBJUBXATRZ-YQQAZPJKSA-N 0 3 334.460 2.474 20 10 EECDHN C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1=CCN(C)CC1 ZINC000272693949 464685210 /nfs/dbraw/zinc/68/52/10/464685210.db2.gz CZNUZGBSJQQBCH-ZDUSSCGKSA-N 0 3 334.439 2.341 20 10 EECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275109026 464764345 /nfs/dbraw/zinc/76/43/45/464764345.db2.gz CEJIXPZWNGALIO-LLVKDONJSA-N 0 3 346.349 2.291 20 10 EECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275109026 464764354 /nfs/dbraw/zinc/76/43/54/464764354.db2.gz CEJIXPZWNGALIO-LLVKDONJSA-N 0 3 346.349 2.291 20 10 EECDHN CO[C@H]1CCCC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000275181694 464766214 /nfs/dbraw/zinc/76/62/14/464766214.db2.gz DKZLBGNCOPPDFV-MSOLQXFVSA-N 0 3 333.476 2.258 20 10 EECDHN CCCOc1ccc(C[NH2+]C2(CC(=O)OC)CCOCC2)c([O-])c1 ZINC000268002373 464946595 /nfs/dbraw/zinc/94/65/95/464946595.db2.gz BXAGVJQLHVOBKK-UHFFFAOYSA-N 0 3 337.416 2.383 20 10 EECDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000299282782 465680887 /nfs/dbraw/zinc/68/08/87/465680887.db2.gz OWWCGXBKQFDPIX-CVEARBPZSA-N 0 3 334.460 2.372 20 10 EECDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000299282782 465680892 /nfs/dbraw/zinc/68/08/92/465680892.db2.gz OWWCGXBKQFDPIX-CVEARBPZSA-N 0 3 334.460 2.372 20 10 EECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160043939 528441588 /nfs/dbraw/zinc/44/15/88/528441588.db2.gz OMJFOZCQKIIJMM-ZDUSSCGKSA-N 0 3 336.432 2.148 20 10 EECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160043939 528441593 /nfs/dbraw/zinc/44/15/93/528441593.db2.gz OMJFOZCQKIIJMM-ZDUSSCGKSA-N 0 3 336.432 2.148 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192081216 528764890 /nfs/dbraw/zinc/76/48/90/528764890.db2.gz FVHUBJLOHYHQME-NXEZZACHSA-N 0 3 329.238 2.487 20 10 EECDHN O=C1CCCN1CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000731844767 577127544 /nfs/dbraw/zinc/12/75/44/577127544.db2.gz NROGOLRFKPDUFF-QGZVFWFLSA-N 0 3 332.444 2.386 20 10 EECDHN O=C1CCCN1CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000731844767 577127546 /nfs/dbraw/zinc/12/75/46/577127546.db2.gz NROGOLRFKPDUFF-QGZVFWFLSA-N 0 3 332.444 2.386 20 10 EECDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC1CCOCC1 ZINC000732204567 577156697 /nfs/dbraw/zinc/15/66/97/577156697.db2.gz NQDUTSSUCUVVRJ-UHFFFAOYSA-N 0 3 332.444 2.432 20 10 EECDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC1CCOCC1 ZINC000732204567 577156698 /nfs/dbraw/zinc/15/66/98/577156698.db2.gz NQDUTSSUCUVVRJ-UHFFFAOYSA-N 0 3 332.444 2.432 20 10 EECDHN C[C@H]([NH2+]CCOCCN(C)C)c1ccc(Br)cc1[O-] ZINC000774376156 577397187 /nfs/dbraw/zinc/39/71/87/577397187.db2.gz FKUMZVMAKKAVET-NSHDSACASA-N 0 3 331.254 2.384 20 10 EECDHN C[C@@H](NCC(=O)N1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000775256182 577433747 /nfs/dbraw/zinc/43/37/47/577433747.db2.gz WUPNWVYHMMCLRN-QGZVFWFLSA-N 0 3 345.487 2.432 20 10 EECDHN CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1ccccc1[O-] ZINC000775551911 577439455 /nfs/dbraw/zinc/43/94/55/577439455.db2.gz POZWXAPNNUNXCT-MRXNPFEDSA-N 0 3 340.489 2.495 20 10 EECDHN CCOC(=O)c1ccc(N2CC(NCc3cccc(C)c3O)C2)nc1 ZINC000753570133 577790185 /nfs/dbraw/zinc/79/01/85/577790185.db2.gz OAHHTARQTIIGAR-UHFFFAOYSA-N 0 3 341.411 2.251 20 10 EECDHN CCOC(=O)c1ccc(N2CC([NH2+]Cc3cccc(C)c3[O-])C2)nc1 ZINC000753570133 577790186 /nfs/dbraw/zinc/79/01/86/577790186.db2.gz OAHHTARQTIIGAR-UHFFFAOYSA-N 0 3 341.411 2.251 20 10 EECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756418325 577843811 /nfs/dbraw/zinc/84/38/11/577843811.db2.gz SNOJAZCZSQTASJ-YPMHNXCESA-N 0 3 344.452 2.341 20 10 EECDHN C[C@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000745788415 577918599 /nfs/dbraw/zinc/91/85/99/577918599.db2.gz KJCWYNNPJDEACR-WMLDXEAASA-N 0 3 330.476 2.351 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)COCC(F)(F)F)N(C)C)cc1 ZINC000891246322 676240466 /nfs/dbraw/zinc/24/04/66/676240466.db2.gz AKMYRAHMKNQQGU-CQSZACIVSA-N 0 3 347.381 2.050 20 10 EECDHN C[C@@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)n1ccnc1 ZINC000891246899 676240847 /nfs/dbraw/zinc/24/08/47/676240847.db2.gz QROOZGIBFNNBMA-MAUKXSAKSA-N 0 3 343.475 2.319 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)COC2CCCC2)N(C)C)cc1 ZINC000891251266 676247439 /nfs/dbraw/zinc/24/74/39/676247439.db2.gz BIAOCXXODUZWBC-SFHVURJKSA-N 0 3 333.476 2.431 20 10 EECDHN COCCCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101021 693612942 /nfs/dbraw/zinc/61/29/42/693612942.db2.gz GWUWPLAWRLIKBF-KRWDZBQOSA-N 0 3 336.480 2.033 20 10 EECDHN COc1ccc(CNCCNS(=O)(=O)Cc2ccccc2)cc1C ZINC000139529040 1192470096 /nfs/dbraw/zinc/47/00/96/1192470096.db2.gz WALAUXDEJNXGGN-UHFFFAOYSA-N 0 3 348.468 2.213 20 10 EECDHN CN1CCN(c2ccc(CN3CCc4ncsc4C3)cc2)CC1 ZINC000783736086 1187127381 /nfs/dbraw/zinc/12/73/81/1187127381.db2.gz BVPIVTZLZYCQTI-UHFFFAOYSA-N 0 3 328.485 2.453 20 10 EECDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000842227398 1188570042 /nfs/dbraw/zinc/57/00/42/1188570042.db2.gz UVENAMOCNSUNEL-LSDHHAIUSA-N 0 3 334.382 2.383 20 10 EECDHN COc1ccc(N2CCN(CCCn3ccnc3)CC2)c(OC)c1 ZINC000879462457 1201080729 /nfs/dbraw/zinc/08/07/29/1201080729.db2.gz OXKUUYSJHFRGSH-UHFFFAOYSA-N 0 3 330.432 2.113 20 10 EECDHN C[C@@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000879650228 1201192959 /nfs/dbraw/zinc/19/29/59/1201192959.db2.gz QLOUYHRWQXSFPC-FZKQIMNGSA-N 0 3 336.432 2.415 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@](C)(C3CC3)C2=O)N(C)C)cc1 ZINC000900184768 1234073227 /nfs/dbraw/zinc/07/32/27/1234073227.db2.gz GGTKANDQHXJYFW-VQIMIIECSA-N 0 3 344.459 2.076 20 10 EECDHN CC=CC[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185311 1234073421 /nfs/dbraw/zinc/07/34/21/1234073421.db2.gz JVCVITMHKVMXTL-YHLLGKTKSA-N 0 3 344.459 2.242 20 10 EECDHN CC[C@]1(C)NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185602 1234073858 /nfs/dbraw/zinc/07/38/58/1234073858.db2.gz PBOOQNZGGCVYHX-YJBOKZPZSA-N 0 3 332.448 2.076 20 10 EECDHN CCOc1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)c([O-])c1 ZINC000827516000 1248358412 /nfs/dbraw/zinc/35/84/12/1248358412.db2.gz SEBSHGWAFASFSL-UHFFFAOYSA-N 0 3 334.460 2.335 20 10 EECDHN CCOc1ccc(C[N@@H+](CCN2CCOCC2)CC2CC2)c([O-])c1 ZINC000827516000 1248358416 /nfs/dbraw/zinc/35/84/16/1248358416.db2.gz SEBSHGWAFASFSL-UHFFFAOYSA-N 0 3 334.460 2.335 20 10 EECDHN COc1cc(CN[C@@H](C)C(=O)NCCF)c(O)c(C(C)(C)C)c1 ZINC000850285499 1277141134 /nfs/dbraw/zinc/14/11/34/1277141134.db2.gz YQZZSGNSXJXAJY-NSHDSACASA-N 0 3 326.412 2.262 20 10 EECDHN O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCNC[C@H]3F)ccc(O)c21 ZINC001218067120 1297561592 /nfs/dbraw/zinc/56/15/92/1297561592.db2.gz QZYGPGICXMUEQD-TZMCWYRMSA-N 0 3 341.338 2.246 20 10 EECDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220212437 1298306171 /nfs/dbraw/zinc/30/61/71/1298306171.db2.gz JUAFHRBMEGUELP-YPMHNXCESA-N 0 3 337.782 2.158 20 10 EECDHN COC(=O)[C@@H]1CNCCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001222421388 1299564408 /nfs/dbraw/zinc/56/44/08/1299564408.db2.gz LSHWONJIJRKXHY-KRWDZBQOSA-N 0 3 344.386 2.145 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(F)(C4CC4)C3)C2)c([O-])c1 ZINC001277569285 1303923255 /nfs/dbraw/zinc/92/32/55/1303923255.db2.gz ZCUFTNQVJOOFOB-VQIMIIECSA-N 0 3 344.430 2.483 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(F)(C4CC4)C3)C2)c([O-])c1 ZINC001277569285 1303923257 /nfs/dbraw/zinc/92/32/57/1303923257.db2.gz ZCUFTNQVJOOFOB-VQIMIIECSA-N 0 3 344.430 2.483 20 10 EECDHN CC[N@H+](CCN(C)C)Cc1ccc(I)cc1[O-] ZINC001232974065 1304312171 /nfs/dbraw/zinc/31/21/71/1304312171.db2.gz HQILRMVHFBFMPB-UHFFFAOYSA-N 0 3 348.228 2.380 20 10 EECDHN CC[N@@H+](CCN(C)C)Cc1ccc(I)cc1[O-] ZINC001232974065 1304312178 /nfs/dbraw/zinc/31/21/78/1304312178.db2.gz HQILRMVHFBFMPB-UHFFFAOYSA-N 0 3 348.228 2.380 20 10 EECDHN CNC(=O)N[C@H]1CCCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233776261 1304588651 /nfs/dbraw/zinc/58/86/51/1304588651.db2.gz OEZJHXKUEZZNHO-NSHDSACASA-N 0 3 347.337 2.184 20 10 EECDHN COc1cc([O-])c(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1Br ZINC001235043338 1305095745 /nfs/dbraw/zinc/09/57/45/1305095745.db2.gz AQWLVYRLZBYHHD-NWDGAFQWSA-N 0 3 327.222 2.100 20 10 EECDHN C[N@H+](CCC1OCCO1)Cc1cc(O)c(Br)cc1[O-] ZINC001236770738 1305669702 /nfs/dbraw/zinc/66/97/02/1305669702.db2.gz KDMPGKJRYVVXES-UHFFFAOYSA-N 0 3 332.194 2.055 20 10 EECDHN C[N@@H+](CCC1OCCO1)Cc1cc(O)c(Br)cc1[O-] ZINC001236770738 1305669711 /nfs/dbraw/zinc/66/97/11/1305669711.db2.gz KDMPGKJRYVVXES-UHFFFAOYSA-N 0 3 332.194 2.055 20 10 EECDHN CCOc1ccc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001237041095 1305774993 /nfs/dbraw/zinc/77/49/93/1305774993.db2.gz DFZGYTRFHGNQAE-YQVWRLOYSA-N 0 3 333.428 2.417 20 10 EECDHN CCOc1ccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c([O-])c1 ZINC001237041095 1305775000 /nfs/dbraw/zinc/77/50/00/1305775000.db2.gz DFZGYTRFHGNQAE-YQVWRLOYSA-N 0 3 333.428 2.417 20 10 EECDHN CCOc1ccc(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c([O-])c1 ZINC001237041095 1305775006 /nfs/dbraw/zinc/77/50/06/1305775006.db2.gz DFZGYTRFHGNQAE-YQVWRLOYSA-N 0 3 333.428 2.417 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3nccc(OC)n3)C2)c([O-])c1 ZINC001237048667 1305778578 /nfs/dbraw/zinc/77/85/78/1305778578.db2.gz VIIZXQAJJUHMQC-OAHLLOKOSA-N 0 3 345.399 2.243 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3nccc(OC)n3)C2)c([O-])c1 ZINC001237048667 1305778588 /nfs/dbraw/zinc/77/85/88/1305778588.db2.gz VIIZXQAJJUHMQC-OAHLLOKOSA-N 0 3 345.399 2.243 20 10 EECDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237062332 1305782149 /nfs/dbraw/zinc/78/21/49/1305782149.db2.gz MAYLHSAODJITBS-ZDUSSCGKSA-N 0 3 346.349 2.434 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001237486698 1305954107 /nfs/dbraw/zinc/95/41/07/1305954107.db2.gz SUGLADWVVATGGH-IBGZPJMESA-N 0 3 340.427 2.063 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001237486698 1305954113 /nfs/dbraw/zinc/95/41/13/1305954113.db2.gz SUGLADWVVATGGH-IBGZPJMESA-N 0 3 340.427 2.063 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001237490513 1305957441 /nfs/dbraw/zinc/95/74/41/1305957441.db2.gz VNENKNCOALKRPB-IBGZPJMESA-N 0 3 338.411 2.120 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001237490513 1305957443 /nfs/dbraw/zinc/95/74/43/1305957443.db2.gz VNENKNCOALKRPB-IBGZPJMESA-N 0 3 338.411 2.120 20 10 EECDHN COc1cc(CN2CC[C@@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237680890 1306042587 /nfs/dbraw/zinc/04/25/87/1306042587.db2.gz MXNYURPTOOGNGD-OAHLLOKOSA-N 0 3 330.384 2.458 20 10 EECDHN Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2cc(Cl)cc(C)c2[O-])C3)n1 ZINC001237686552 1306049945 /nfs/dbraw/zinc/04/99/45/1306049945.db2.gz RRCKGHRWVYVTIY-CXAGYDPISA-N 0 3 349.818 2.445 20 10 EECDHN Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C3)n1 ZINC001237686552 1306049955 /nfs/dbraw/zinc/04/99/55/1306049955.db2.gz RRCKGHRWVYVTIY-CXAGYDPISA-N 0 3 349.818 2.445 20 10 EECDHN OC[C@]1(F)CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660441 1314923361 /nfs/dbraw/zinc/92/33/61/1314923361.db2.gz RQWLKBNXNWLDPO-SFHVURJKSA-N 0 3 340.414 2.349 20 10 EECDHN CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840159955 1315313571 /nfs/dbraw/zinc/31/35/71/1315313571.db2.gz NHZGMWPYCACBJB-BEFAXECRSA-N 0 3 349.427 2.372 20 10 EECDHN CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840159955 1315313572 /nfs/dbraw/zinc/31/35/72/1315313572.db2.gz NHZGMWPYCACBJB-BEFAXECRSA-N 0 3 349.427 2.372 20 10 EECDHN COc1ccc(O)c(CN[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000840967069 1315448000 /nfs/dbraw/zinc/44/80/00/1315448000.db2.gz KIQSQEDMRWQTGN-MRXNPFEDSA-N 0 3 330.359 2.435 20 10 EECDHN CCn1nncc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000841863367 1315626441 /nfs/dbraw/zinc/62/64/41/1315626441.db2.gz LNRKPBNSMZQCTR-HNNXBMFYSA-N 0 3 349.866 2.411 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H](O)[C@](C)(CO)C3)ccc2O1 ZINC001249223448 1317028319 /nfs/dbraw/zinc/02/83/19/1317028319.db2.gz GSGVIYINQLKEMQ-APWZRJJASA-N 0 3 333.428 2.142 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H](O)[C@](C)(CO)C3)ccc2O1 ZINC001249223448 1317028329 /nfs/dbraw/zinc/02/83/29/1317028329.db2.gz GSGVIYINQLKEMQ-APWZRJJASA-N 0 3 333.428 2.142 20 10 EECDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CCO)cc1)c1ccccc1[O-] ZINC001253163064 1317785290 /nfs/dbraw/zinc/78/52/90/1317785290.db2.gz NAFCVNZXIRUNDC-GDBMZVCRSA-N 0 3 331.412 2.018 20 10 EECDHN C[C@H](CS(=O)(=O)c1ccccc1)NCCc1ccc(O)c(O)c1 ZINC001255801886 1318538263 /nfs/dbraw/zinc/53/82/63/1318538263.db2.gz YANIVHZXKUJUEX-CYBMUJFWSA-N 0 3 335.425 2.092 20 10 EECDHN O=C([C@@H]1C[N@@H+](Cc2ccccc2[O-])CC12CCOCC2)N1CC=CC1 ZINC001203551780 1321910323 /nfs/dbraw/zinc/91/03/23/1321910323.db2.gz NVLPLTOGJSVEBD-KRWDZBQOSA-N 0 3 342.439 2.019 20 10 EECDHN O=C([C@@H]1C[N@H+](Cc2ccccc2[O-])CC12CCOCC2)N1CC=CC1 ZINC001203551780 1321910324 /nfs/dbraw/zinc/91/03/24/1321910324.db2.gz NVLPLTOGJSVEBD-KRWDZBQOSA-N 0 3 342.439 2.019 20 10 EECDHN COc1cc(Cl)cc(CN2CCC[C@@]3(CN(C)CCO3)C2)c1O ZINC001276449136 1322084017 /nfs/dbraw/zinc/08/40/17/1322084017.db2.gz YEKDGZHFGOGOIK-QGZVFWFLSA-N 0 3 340.851 2.351 20 10 EECDHN COc1cc(O)c(CN(C)Cc2ccc(C(N)=O)cc2)cc1OC ZINC001319692045 1332743022 /nfs/dbraw/zinc/74/30/22/1332743022.db2.gz WJVVUGGROMOOGT-UHFFFAOYSA-N 0 3 330.384 2.140 20 10 EECDHN CCc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)co1 ZINC001334842778 1336302993 /nfs/dbraw/zinc/30/29/93/1336302993.db2.gz JEISDOGAPVVRAV-MRXNPFEDSA-N 0 3 330.432 2.336 20 10 EECDHN C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2c([O-])cccc2Cl)C1 ZINC001140339458 1372565392 /nfs/dbraw/zinc/56/53/92/1372565392.db2.gz VBLFWESOWDCGQE-ZDUSSCGKSA-N 0 3 334.851 2.436 20 10 EECDHN [O-]c1cc(F)c(Cl)cc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000816481732 784042898 /nfs/dbraw/zinc/04/28/98/784042898.db2.gz HAHYJBLPCIWDKF-CYBMUJFWSA-N 0 3 328.815 2.481 20 10 EECDHN [O-]c1cc(F)c(Cl)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000816481732 784042908 /nfs/dbraw/zinc/04/29/08/784042908.db2.gz HAHYJBLPCIWDKF-CYBMUJFWSA-N 0 3 328.815 2.481 20 10 EECDHN Oc1cc(O)c(CN2CCN(Cc3ccccc3F)CC2)c(O)c1 ZINC001144509267 789909330 /nfs/dbraw/zinc/90/93/30/789909330.db2.gz REMVQYQXKKFHJX-UHFFFAOYSA-N 0 3 332.375 2.260 20 10 EECDHN CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000846035487 790033276 /nfs/dbraw/zinc/03/32/76/790033276.db2.gz UCDMRYYTRPDRJA-QGZVFWFLSA-N 0 3 346.452 2.183 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(F)(F)C2)N(C)C)cc1 ZINC001527934548 1120916344 /nfs/dbraw/zinc/91/63/44/1120916344.db2.gz ZCKGZFXZXZOTNY-CQSZACIVSA-N 0 3 326.391 2.016 20 10 EECDHN COc1cccc(C(=O)NCC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297581381 465261692 /nfs/dbraw/zinc/26/16/92/465261692.db2.gz HENLIKVMNBIEBG-INIZCTEOSA-N 0 3 326.396 2.408 20 10 EECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000092011068 462919224 /nfs/dbraw/zinc/91/92/24/462919224.db2.gz TZTYVSKHVWEOSY-QAPCUYQASA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000092011068 462919227 /nfs/dbraw/zinc/91/92/27/462919227.db2.gz TZTYVSKHVWEOSY-QAPCUYQASA-N 0 3 345.443 2.470 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)CCC2CCOCC2)cc1 ZINC000120352704 462989855 /nfs/dbraw/zinc/98/98/55/462989855.db2.gz IOOKZQOKOVODLK-UHFFFAOYSA-N 0 3 347.503 2.460 20 10 EECDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000269021776 463848387 /nfs/dbraw/zinc/84/83/87/463848387.db2.gz PSVUCFYERLXLOR-GDBMZVCRSA-N 0 3 339.505 2.217 20 10 EECDHN Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2=O)n(C)n1 ZINC000186083482 463934034 /nfs/dbraw/zinc/93/40/34/463934034.db2.gz GPNFLWNZKMQRAB-ZFWWWQNUSA-N 0 3 328.416 2.199 20 10 EECDHN CN(Cc1c[nH]c2nccnc12)Cc1ccc(N2CCOCC2)cc1 ZINC000290438995 464118283 /nfs/dbraw/zinc/11/82/83/464118283.db2.gz NRJLZWKISGOKAQ-UHFFFAOYSA-N 0 3 337.427 2.427 20 10 EECDHN CN(C)c1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)cc1F ZINC000269968609 464142903 /nfs/dbraw/zinc/14/29/03/464142903.db2.gz WXABKOSHRLLGHL-LPHOPBHVSA-N 0 3 332.419 2.466 20 10 EECDHN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000271596125 464339296 /nfs/dbraw/zinc/33/92/96/464339296.db2.gz YWXALHSDENEQFK-SWLSCSKDSA-N 0 3 332.366 2.487 20 10 EECDHN C[C@@H]1CN(CCCC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)O1 ZINC000237667822 464360479 /nfs/dbraw/zinc/36/04/79/464360479.db2.gz GHRKMQXXCOSUAP-OKILXGFUSA-N 0 3 337.420 2.279 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c([O-])c1 ZINC000293576049 464412134 /nfs/dbraw/zinc/41/21/34/464412134.db2.gz HIYHQNIKBQPVIF-MRXNPFEDSA-N 0 3 346.431 2.102 20 10 EECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c([O-])c1 ZINC000293576049 464412139 /nfs/dbraw/zinc/41/21/39/464412139.db2.gz HIYHQNIKBQPVIF-MRXNPFEDSA-N 0 3 346.431 2.102 20 10 EECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293720247 464418836 /nfs/dbraw/zinc/41/88/36/464418836.db2.gz MKICKYWUFKLAME-AWEZNQCLSA-N 0 3 328.478 2.331 20 10 EECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273430989 464714645 /nfs/dbraw/zinc/71/46/45/464714645.db2.gz VPAVKNHYDFNXMC-AWEZNQCLSA-N 0 3 328.478 2.331 20 10 EECDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000275250832 464768830 /nfs/dbraw/zinc/76/88/30/464768830.db2.gz GQPXJNNYMXRWMB-UGSOOPFHSA-N 0 3 345.399 2.091 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000282330313 464778040 /nfs/dbraw/zinc/77/80/40/464778040.db2.gz AUOHRTMSJAVLHD-CYBMUJFWSA-N 0 3 333.432 2.371 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000282330313 464778044 /nfs/dbraw/zinc/77/80/44/464778044.db2.gz AUOHRTMSJAVLHD-CYBMUJFWSA-N 0 3 333.432 2.371 20 10 EECDHN CCCCN(CC(=O)N(C)CC(=O)OCC)Cc1ccccc1O ZINC000282484788 464836321 /nfs/dbraw/zinc/83/63/21/464836321.db2.gz PDSHWSTWMGWRAQ-UHFFFAOYSA-N 0 3 336.432 2.016 20 10 EECDHN COc1ccc(N2CCCN(C(=O)C34CCCN3CCC4)CC2)cc1 ZINC000377802905 467142956 /nfs/dbraw/zinc/14/29/56/467142956.db2.gz PBMRLFGOOFLKAW-UHFFFAOYSA-N 0 3 343.471 2.362 20 10 EECDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(N(C)C)cc1 ZINC000775833196 577446898 /nfs/dbraw/zinc/44/68/98/577446898.db2.gz HXSYBFJSZMNVFU-ZDUSSCGKSA-N 0 3 330.388 2.173 20 10 EECDHN CN(C)c1nccc(CNCc2cc(Br)ccc2O)n1 ZINC000776496284 577460925 /nfs/dbraw/zinc/46/09/25/577460925.db2.gz ITLVMJUDGZDEML-UHFFFAOYSA-N 0 3 337.221 2.301 20 10 EECDHN CC(C)OC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000770687190 577601806 /nfs/dbraw/zinc/60/18/06/577601806.db2.gz CVTIVRBJRAUJQO-HXUWFJFHSA-N 0 3 347.503 2.064 20 10 EECDHN C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000760036206 577656168 /nfs/dbraw/zinc/65/61/68/577656168.db2.gz DFRUTHYSOMTULS-DGCLKSJQSA-N 0 3 332.366 2.329 20 10 EECDHN C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756407886 577843601 /nfs/dbraw/zinc/84/36/01/577843601.db2.gz GPYKCCGMHDJVME-CYBMUJFWSA-N 0 3 327.419 2.349 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c2c1c(F)ccc2[O-] ZINC000756734515 577849541 /nfs/dbraw/zinc/84/95/41/577849541.db2.gz XNQROQAJBWYKSJ-DDTOSNHZSA-N 0 3 344.390 2.208 20 10 EECDHN CC(C)(C)OC(=O)CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000742372223 577871995 /nfs/dbraw/zinc/87/19/95/577871995.db2.gz JIOALYZPOOTCON-UHFFFAOYSA-N 0 3 338.423 2.484 20 10 EECDHN O=C(NCc1ccccc1O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000748462741 577962325 /nfs/dbraw/zinc/96/23/25/577962325.db2.gz HTFICGDTDTVDEH-QGZVFWFLSA-N 0 3 325.412 2.466 20 10 EECDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCCO1 ZINC000891242363 676231904 /nfs/dbraw/zinc/23/19/04/676231904.db2.gz FRIDTVLKDIUXSJ-BMGDILEWSA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)c2ccccc2)N(C)C)cc1 ZINC000891246350 676240330 /nfs/dbraw/zinc/24/03/30/676240330.db2.gz BEDDPTYPJHKTJV-RTBURBONSA-N 0 3 341.455 2.205 20 10 EECDHN CCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)n1 ZINC000891248666 676244790 /nfs/dbraw/zinc/24/47/90/676244790.db2.gz ZXRGIAMTZXPMMJ-GOSISDBHSA-N 0 3 343.475 2.310 20 10 EECDHN Cc1cc(=O)[nH]cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252684 676248421 /nfs/dbraw/zinc/24/84/21/676248421.db2.gz MGWNXVGURMMNKX-KRWDZBQOSA-N 0 3 342.443 2.194 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCC=CO2)N(C)C)cc1 ZINC000894326369 682484648 /nfs/dbraw/zinc/48/46/48/682484648.db2.gz CVIIQTXZKFKVAG-ROUUACIJSA-N 0 3 346.475 2.347 20 10 EECDHN CN(Cc1ccccc1O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892812513 683093464 /nfs/dbraw/zinc/09/34/64/683093464.db2.gz UDLUQGGZYPBVSN-QGZVFWFLSA-N 0 3 325.412 2.248 20 10 EECDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCOC1 ZINC000893242559 684227157 /nfs/dbraw/zinc/22/71/57/684227157.db2.gz YUPVWPXZZIEJMG-LESCRADOSA-N 0 3 348.491 2.080 20 10 EECDHN COc1ccc(N2CCN(C(=O)C[C@@H](N)c3ccccc3)CC2)cc1 ZINC000237266313 684587751 /nfs/dbraw/zinc/58/77/51/684587751.db2.gz QCJYBIQTEPYQKE-LJQANCHMSA-N 0 3 339.439 2.434 20 10 EECDHN COc1ccc(CN[C@@H]2Cc3ccccc3NC2=O)c(O)c1OC ZINC000895622757 684667345 /nfs/dbraw/zinc/66/73/45/684667345.db2.gz FWONUAHTGHYJKO-CQSZACIVSA-N 0 3 328.368 2.062 20 10 EECDHN COc1cc(Br)cc(C[NH2+][C@@H]2COCC[C@H]2OC)c1[O-] ZINC000897891781 691813585 /nfs/dbraw/zinc/81/35/85/691813585.db2.gz QKJSEZXSBILOLS-VXGBXAGGSA-N 0 3 346.221 2.057 20 10 EECDHN COCC1(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000899104987 693607447 /nfs/dbraw/zinc/60/74/47/693607447.db2.gz URVGRELFTVRRJS-KRWDZBQOSA-N 0 3 348.491 2.224 20 10 EECDHN C[C@@H](F)CCN1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032218924 1193195629 /nfs/dbraw/zinc/19/56/29/1193195629.db2.gz GJXLQGRDRQZQEZ-LLVKDONJSA-N 0 3 335.383 2.259 20 10 EECDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cnoc4)C3=O)C2)c([O-])c1 ZINC001272764660 1193486228 /nfs/dbraw/zinc/48/62/28/1193486228.db2.gz CNIDAEGDKMHXFB-LJQANCHMSA-N 0 3 341.411 2.313 20 10 EECDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cnoc4)C3=O)C2)c([O-])c1 ZINC001272764660 1193486230 /nfs/dbraw/zinc/48/62/30/1193486230.db2.gz CNIDAEGDKMHXFB-LJQANCHMSA-N 0 3 341.411 2.313 20 10 EECDHN COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272618508 1190933115 /nfs/dbraw/zinc/93/31/15/1190933115.db2.gz JYZNJQZLKXNAPU-LJQANCHMSA-N 0 3 332.444 2.384 20 10 EECDHN COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272618508 1190933116 /nfs/dbraw/zinc/93/31/16/1190933116.db2.gz JYZNJQZLKXNAPU-LJQANCHMSA-N 0 3 332.444 2.384 20 10 EECDHN O=C1CO[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1CC1CCCC1 ZINC001272618092 1190933275 /nfs/dbraw/zinc/93/32/75/1190933275.db2.gz BFVHIBUGDHSAOQ-FQEVSTJZSA-N 0 3 344.455 2.386 20 10 EECDHN O=C1CO[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1CC1CCCC1 ZINC001272618092 1190933278 /nfs/dbraw/zinc/93/32/78/1190933278.db2.gz BFVHIBUGDHSAOQ-FQEVSTJZSA-N 0 3 344.455 2.386 20 10 EECDHN CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619843 1190934405 /nfs/dbraw/zinc/93/44/05/1190934405.db2.gz ZXPWYTNFMLXHFT-CJNGLKHVSA-N 0 3 330.428 2.088 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@]12CCCN2Cc1c(O)cccc1F ZINC001273265525 1197887718 /nfs/dbraw/zinc/88/77/18/1197887718.db2.gz HIMYDCVLLOXISS-GOSISDBHSA-N 0 3 345.374 2.286 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1[O-] ZINC000872141080 1198052366 /nfs/dbraw/zinc/05/23/66/1198052366.db2.gz KQWYSHJRDZPHHK-OASPWFOLSA-N 0 3 330.222 2.264 20 10 EECDHN COc1cc(Br)cc(CNCc2cncn2C)c1O ZINC000810159348 1199325122 /nfs/dbraw/zinc/32/51/22/1199325122.db2.gz PGIXUQJBVWTHNF-UHFFFAOYSA-N 0 3 326.194 2.187 20 10 EECDHN CNC(=O)[C@@H]1CC12CCN(Cc1ccc(N(C)C)cc1OC)CC2 ZINC001274215828 1204474488 /nfs/dbraw/zinc/47/44/88/1204474488.db2.gz OEJKFPWXJLDKGM-INIZCTEOSA-N 0 3 331.460 2.109 20 10 EECDHN Cc1cc(CN2CCC3(C[NH+](Cc4ccccc4[O-])C3)C2)n(C)n1 ZINC001275266654 1205293908 /nfs/dbraw/zinc/29/39/08/1205293908.db2.gz CAKLYVGONCEZTF-UHFFFAOYSA-N 0 3 326.444 2.142 20 10 EECDHN CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001275267528 1205294254 /nfs/dbraw/zinc/29/42/54/1205294254.db2.gz QLHRJZFQLFINDB-IRXDYDNUSA-N 0 3 326.444 2.457 20 10 EECDHN CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001275267528 1205294256 /nfs/dbraw/zinc/29/42/56/1205294256.db2.gz QLHRJZFQLFINDB-IRXDYDNUSA-N 0 3 326.444 2.457 20 10 EECDHN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCCCN1C1CC1 ZINC000925383350 1206105187 /nfs/dbraw/zinc/10/51/87/1206105187.db2.gz SAPOPFGCFAFLPU-INIZCTEOSA-N 0 3 343.427 2.173 20 10 EECDHN Cc1nnc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000929266140 1206460808 /nfs/dbraw/zinc/46/08/08/1206460808.db2.gz IPCMHINOCJNSGQ-CQSZACIVSA-N 0 3 348.476 2.337 20 10 EECDHN CCn1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000931915753 1207487339 /nfs/dbraw/zinc/48/73/39/1207487339.db2.gz JLWPMSQSWUTEQA-MRXNPFEDSA-N 0 3 344.463 2.393 20 10 EECDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000778995824 1208432427 /nfs/dbraw/zinc/43/24/27/1208432427.db2.gz SXBXISXJLBXHAP-NSHDSACASA-N 0 3 338.404 2.372 20 10 EECDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000778995824 1208432429 /nfs/dbraw/zinc/43/24/29/1208432429.db2.gz SXBXISXJLBXHAP-NSHDSACASA-N 0 3 338.404 2.372 20 10 EECDHN CON(C)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000850481151 1277238454 /nfs/dbraw/zinc/23/84/54/1277238454.db2.gz YBSLNBAUYVFLGA-ZDUSSCGKSA-N 0 3 327.856 2.320 20 10 EECDHN COC(=O)[C@@H]1CN(Cc2cccc(-c3ccccc3)c2O)CCN1C ZINC001234998298 1305079669 /nfs/dbraw/zinc/07/96/69/1305079669.db2.gz JCFGHDKFXCHGDL-SFHVURJKSA-N 0 3 340.423 2.348 20 10 EECDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862334993 1295797527 /nfs/dbraw/zinc/79/75/27/1295797527.db2.gz WYCZFIRQJVRNHJ-CYBMUJFWSA-N 0 3 341.446 2.308 20 10 EECDHN O=C1c2cccc(O[C@@H]3CCNC[C@@H]3F)c2C(=O)c2cccc(O)c21 ZINC001218065280 1297560581 /nfs/dbraw/zinc/56/05/81/1297560581.db2.gz FBSOATSWXKHSFQ-GXTWGEPZSA-N 0 3 341.338 2.246 20 10 EECDHN C[C@H]1NC[C@@H]1Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001218394653 1297651674 /nfs/dbraw/zinc/65/16/74/1297651674.db2.gz YXZCNAKCVISMCD-OTYXRUKQSA-N 0 3 338.319 2.109 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@H]3CN(COCCOC)C[C@H]32)c([O-])c1 ZINC001276805071 1298018997 /nfs/dbraw/zinc/01/89/97/1298018997.db2.gz QKHJVWSWPLCNCF-FUHWJXTLSA-N 0 3 334.460 2.081 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@H]3CN(COCCOC)C[C@H]32)c([O-])c1 ZINC001276805071 1298019003 /nfs/dbraw/zinc/01/90/03/1298019003.db2.gz QKHJVWSWPLCNCF-FUHWJXTLSA-N 0 3 334.460 2.081 20 10 EECDHN O=C(Nc1ccc(O)cc1O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277442187 1303035451 /nfs/dbraw/zinc/03/54/51/1303035451.db2.gz SLZCDNCSCMDIKG-BFUOFWGJSA-N 0 3 340.379 2.264 20 10 EECDHN O=C(Nc1ccc(O)cc1O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442187 1303035459 /nfs/dbraw/zinc/03/54/59/1303035459.db2.gz SLZCDNCSCMDIKG-BFUOFWGJSA-N 0 3 340.379 2.264 20 10 EECDHN COc1ccc(Br)c(CN2CC[C@@](C)(CO)C2)c1O ZINC001231548728 1303842183 /nfs/dbraw/zinc/84/21/83/1303842183.db2.gz YVVPSWSLFACFMC-CQSZACIVSA-N 0 3 330.222 2.368 20 10 EECDHN Cc1cccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c1O ZINC001231594258 1303860233 /nfs/dbraw/zinc/86/02/33/1303860233.db2.gz AFORRAOOIPGXMV-OAHLLOKOSA-N 0 3 348.443 2.426 20 10 EECDHN Cc1cc(C)c(CN2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001231845016 1303928934 /nfs/dbraw/zinc/92/89/34/1303928934.db2.gz RXNHJJJNGGJJJN-KZNAEPCWSA-N 0 3 344.455 2.125 20 10 EECDHN COc1ccc(N2CCN(Cc3ccc(N(C)C)cc3O)CC2)nc1 ZINC001232841747 1304267795 /nfs/dbraw/zinc/26/77/95/1304267795.db2.gz QSIRQTZINICPLR-UHFFFAOYSA-N 0 3 342.443 2.184 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c1[O-] ZINC001233108237 1304361669 /nfs/dbraw/zinc/36/16/69/1304361669.db2.gz JSEMEUUOCISRHN-OAHLLOKOSA-N 0 3 339.233 2.175 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2CC[C@]3(CCNC3=O)C2)c1[O-] ZINC001233108237 1304361673 /nfs/dbraw/zinc/36/16/73/1304361673.db2.gz JSEMEUUOCISRHN-OAHLLOKOSA-N 0 3 339.233 2.175 20 10 EECDHN C[NH+](C)CCN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415770 1304461895 /nfs/dbraw/zinc/46/18/95/1304461895.db2.gz IDEPHXQGVMZFTA-UHFFFAOYSA-N 0 3 331.382 2.090 20 10 EECDHN O=C(C1CCN(Cc2cc(O)c(O)cc2O)CC1)N1CCCCC1 ZINC001233485527 1304478722 /nfs/dbraw/zinc/47/87/22/1304478722.db2.gz ZTPUFDDALWUTOH-UHFFFAOYSA-N 0 3 334.416 2.028 20 10 EECDHN CCN1CCN(c2ccc(O[C@@H]3[C@H]4C[C@H]5C(=O)O[C@@H]3[C@H]5C4)cc2)CC1 ZINC001234657718 1305002731 /nfs/dbraw/zinc/00/27/31/1305002731.db2.gz GWYHASBFJPYPGB-WHJMJZORSA-N 0 3 342.439 2.157 20 10 EECDHN COc1cc([O-])c(CN2CC[NH2+]C(C)(C)C2)cc1Br ZINC001235837780 1305413874 /nfs/dbraw/zinc/41/38/74/1305413874.db2.gz LCIOKFQWFBGQPI-UHFFFAOYSA-N 0 3 329.238 2.347 20 10 EECDHN [NH3+]C1CN([C@H]2CCCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1 ZINC001236079853 1305496488 /nfs/dbraw/zinc/49/64/88/1305496488.db2.gz SPGDKFOBUTXFOC-LBPRGKRZSA-N 0 3 330.259 2.306 20 10 EECDHN O=C1NCC[C@@]12CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C2 ZINC001237052942 1305780321 /nfs/dbraw/zinc/78/03/21/1305780321.db2.gz FPSDPZGJHSOHSY-HNNXBMFYSA-N 0 3 344.333 2.045 20 10 EECDHN O=C1NCC[C@@]12CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C2 ZINC001237052942 1305780327 /nfs/dbraw/zinc/78/03/27/1305780327.db2.gz FPSDPZGJHSOHSY-HNNXBMFYSA-N 0 3 344.333 2.045 20 10 EECDHN COc1cc(N2CCN(Cc3c(C)ccc(C)c3O)CC2)ncn1 ZINC001140184097 1314829782 /nfs/dbraw/zinc/82/97/82/1314829782.db2.gz MTFUSXRNJPQMID-UHFFFAOYSA-N 0 3 328.416 2.130 20 10 EECDHN Cc1ccc(O)c(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c1 ZINC001140624414 1314917104 /nfs/dbraw/zinc/91/71/04/1314917104.db2.gz VVRCZRBUDTVMGW-MRXNPFEDSA-N 0 3 348.443 2.426 20 10 EECDHN CC(=O)N1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074449 1315036588 /nfs/dbraw/zinc/03/65/88/1315036588.db2.gz HYNSZCKZWZTFJS-UHFFFAOYSA-N 0 3 327.472 2.440 20 10 EECDHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCN(C)CC1 ZINC000840490141 1315370393 /nfs/dbraw/zinc/37/03/93/1315370393.db2.gz WVPXXQLOOUTFBJ-INIZCTEOSA-N 0 3 332.492 2.339 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CNCCO1 ZINC000841098791 1315475214 /nfs/dbraw/zinc/47/52/14/1315475214.db2.gz IYUTXIBMQIYNGH-GOSISDBHSA-N 0 3 328.412 2.049 20 10 EECDHN C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1[O-] ZINC000841747126 1315607804 /nfs/dbraw/zinc/60/78/04/1315607804.db2.gz OCLTZNQCIMBGHH-STQMWFEESA-N 0 3 339.867 2.284 20 10 EECDHN COc1ccc(O)c(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001203680845 1321940019 /nfs/dbraw/zinc/94/00/19/1321940019.db2.gz HCDCHEFEUKORIV-UKRRQHHQSA-N 0 3 334.416 2.452 20 10 EECDHN O=C(CNCc1ccc(OCc2ccccc2)cc1O)N1CCCO1 ZINC001308976586 1331610978 /nfs/dbraw/zinc/61/09/78/1331610978.db2.gz HWEDCKNARRFGLF-UHFFFAOYSA-N 0 3 342.395 2.225 20 10 EECDHN O[C@H]1CCC[C@H]1N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319715013 1332749240 /nfs/dbraw/zinc/74/92/40/1332749240.db2.gz ASNWNSBXXFWTOM-UXHICEINSA-N 0 3 329.488 2.318 20 10 EECDHN CN1CCN(c2ccc(CN3CCC[C@@H]4COC[C@@H]43)cc2F)CC1 ZINC001324758516 1333753910 /nfs/dbraw/zinc/75/39/10/1333753910.db2.gz VSDWBMCMUAVBEH-APWZRJJASA-N 0 3 333.451 2.188 20 10 EECDHN CN1CCCC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC001123656878 1372168589 /nfs/dbraw/zinc/16/85/89/1372168589.db2.gz XNMJUNDYRNQYQT-GFCCVEGCSA-N 0 3 328.507 2.409 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@]2(C)CCCO2)N(C)C)cc1 ZINC000893559305 770511370 /nfs/dbraw/zinc/51/13/70/770511370.db2.gz XTVGVMBTWWPVLI-MJGOQNOKSA-N 0 3 348.491 2.224 20 10 EECDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cn[nH]c1 ZINC000893858109 780245461 /nfs/dbraw/zinc/24/54/61/780245461.db2.gz YYLNZJBWYCRMIU-DYVFJYSZSA-N 0 3 344.463 2.139 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CC2(CC(N)=O)CC2)c1[O-] ZINC000817411030 784765153 /nfs/dbraw/zinc/76/51/53/784765153.db2.gz LHSFCOIZOLFRDN-UHFFFAOYSA-N 0 3 327.222 2.208 20 10 EECDHN COc1ccnc(N2CCN(Cc3cc(C)cc(OC)c3O)CC2)c1 ZINC000164298282 789142842 /nfs/dbraw/zinc/14/28/42/789142842.db2.gz IRJJKYLCJMMNBB-UHFFFAOYSA-N 0 3 343.427 2.435 20 10 EECDHN COc1cccc(C2([NH3+])CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC001148224650 792259942 /nfs/dbraw/zinc/25/99/42/792259942.db2.gz RMVFFLQKXQPEQL-UHFFFAOYSA-N 0 3 342.395 2.197 20 10 EECDHN O=C1[C@H](NCc2cc3c(cc2O)OCO3)CCN1C1CCCCC1 ZINC000131666693 795135322 /nfs/dbraw/zinc/13/53/22/795135322.db2.gz NGOZWHCOIVNKGU-CQSZACIVSA-N 0 3 332.400 2.144 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC2)cc1 ZINC001032809867 796595215 /nfs/dbraw/zinc/59/52/15/796595215.db2.gz KTFLTULEPJJAJP-GJZGRUSLSA-N 0 3 327.388 2.158 20 10 EECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000350288984 238199782 /nfs/dbraw/zinc/19/97/82/238199782.db2.gz SWWCITGVNPYHFT-OAHLLOKOSA-N 0 3 326.444 2.476 20 10 EECDHN COC1CCN(c2ccc(CN(C)CCN3CCOCC3)cc2)CC1 ZINC000296957809 465241297 /nfs/dbraw/zinc/24/12/97/465241297.db2.gz CJTHXFCAMXIOJS-UHFFFAOYSA-N 0 3 347.503 2.066 20 10 EECDHN COC1CCN(c2ccc(CN[C@](C)(C(N)=O)C(C)C)cc2)CC1 ZINC000297729953 465267955 /nfs/dbraw/zinc/26/79/55/465267955.db2.gz SIYQQXOGGZBPIS-IBGZPJMESA-N 0 3 333.476 2.291 20 10 EECDHN CCOc1cccc(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1[O-] ZINC000064620228 462712656 /nfs/dbraw/zinc/71/26/56/462712656.db2.gz HGHUENRCAPCVAF-KRWDZBQOSA-N 0 3 335.492 2.153 20 10 EECDHN CCN(C1CCN(Cc2cc(C)c(C)cc2O)CC1)S(C)(=O)=O ZINC000066859460 462937351 /nfs/dbraw/zinc/93/73/51/462937351.db2.gz BSOGZPHMXXOIMB-UHFFFAOYSA-N 0 3 340.489 2.255 20 10 EECDHN CCCOc1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c([O-])c1 ZINC000284038398 464073234 /nfs/dbraw/zinc/07/32/34/464073234.db2.gz OOLXDNXHEFIWII-PBHICJAKSA-N 0 3 325.449 2.429 20 10 EECDHN CC(C)NS(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000264354515 464295233 /nfs/dbraw/zinc/29/52/33/464295233.db2.gz GBJVGHQDJNBHEM-UHFFFAOYSA-N 0 3 348.468 2.477 20 10 EECDHN CC[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(C)cc1[O-] ZINC000281249635 464386913 /nfs/dbraw/zinc/38/69/13/464386913.db2.gz VVDUBSFENFVPJI-XJKSGUPXSA-N 0 3 342.443 2.299 20 10 EECDHN CO[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000281609749 464519927 /nfs/dbraw/zinc/51/99/27/464519927.db2.gz GMDRPFJTFKOAAH-MAUKXSAKSA-N 0 3 333.476 2.210 20 10 EECDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000182464957 464662243 /nfs/dbraw/zinc/66/22/43/464662243.db2.gz DSIHKHIJCBXVEY-BXKDBHETSA-N 0 3 332.322 2.215 20 10 EECDHN Cc1ccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c(O)c1O ZINC000182558743 464682520 /nfs/dbraw/zinc/68/25/20/464682520.db2.gz BLNCPCQVWZELIK-SQWLQELKSA-N 0 3 330.428 2.353 20 10 EECDHN Cc1ccc([C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)c(O)c1C ZINC000273467846 464716476 /nfs/dbraw/zinc/71/64/76/464716476.db2.gz JGBCJSMSFGNIBM-BBRMVZONSA-N 0 3 328.416 2.199 20 10 EECDHN CCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c([O-])c1 ZINC000282194190 464729798 /nfs/dbraw/zinc/72/97/98/464729798.db2.gz CCZTUCRWHBUPHC-UHFFFAOYSA-N 0 3 335.492 2.297 20 10 EECDHN NC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182936093 464761388 /nfs/dbraw/zinc/76/13/88/464761388.db2.gz PCWYAAURODDRKY-MRXNPFEDSA-N 0 3 326.396 2.278 20 10 EECDHN NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182936093 464761391 /nfs/dbraw/zinc/76/13/91/464761391.db2.gz PCWYAAURODDRKY-MRXNPFEDSA-N 0 3 326.396 2.278 20 10 EECDHN CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183672018 464895779 /nfs/dbraw/zinc/89/57/79/464895779.db2.gz ZWJFYVLDOFOXTP-CQSZACIVSA-N 0 3 340.489 2.493 20 10 EECDHN CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[O-] ZINC000090551242 528117128 /nfs/dbraw/zinc/11/71/28/528117128.db2.gz PCMHLBJGSBTRNS-UHFFFAOYSA-N 0 3 331.372 2.374 20 10 EECDHN CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[O-] ZINC000090551242 528117137 /nfs/dbraw/zinc/11/71/37/528117137.db2.gz PCMHLBJGSBTRNS-UHFFFAOYSA-N 0 3 331.372 2.374 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C)(C)CC1)cc2=O ZINC000726970824 576363102 /nfs/dbraw/zinc/36/31/02/576363102.db2.gz ZQFGOXKIUKODCN-UHFFFAOYSA-N 0 3 332.404 2.234 20 10 EECDHN CC[C@H]1CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000727832997 576453145 /nfs/dbraw/zinc/45/31/45/576453145.db2.gz HXMWFRHMCLRYTN-INIZCTEOSA-N 0 3 349.450 2.153 20 10 EECDHN C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000775137468 577430947 /nfs/dbraw/zinc/43/09/47/577430947.db2.gz UYQSFLUQXLVZQA-LBPRGKRZSA-N 0 3 328.368 2.453 20 10 EECDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1 ZINC000775370011 577436095 /nfs/dbraw/zinc/43/60/95/577436095.db2.gz JZEZFUYMKIEHPE-WDEREUQCSA-N 0 3 337.420 2.064 20 10 EECDHN CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1)C(=O)OC ZINC000775835439 577446969 /nfs/dbraw/zinc/44/69/69/577446969.db2.gz YTRSWPDWZOFDIW-PMUMKWKESA-N 0 3 349.475 2.107 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@H](CCO)C2CCOCC2)c1[O-] ZINC000764678244 577486612 /nfs/dbraw/zinc/48/66/12/577486612.db2.gz LKYAKBWOKIUJFA-CQSZACIVSA-N 0 3 329.824 2.321 20 10 EECDHN CCN1C[C@@H](C)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000766255308 577515981 /nfs/dbraw/zinc/51/59/81/577515981.db2.gz VXYOTUMUYNHSDM-DLBZAZTESA-N 0 3 346.519 2.126 20 10 EECDHN [O-]c1cc2c(cc1CN1CCC[C@H]([NH+]3CCCC3)CC1)[C@H](O)CO2 ZINC000768448891 577555974 /nfs/dbraw/zinc/55/59/74/577555974.db2.gz YCYONKDUMLKYBL-MAUKXSAKSA-N 0 3 332.444 2.268 20 10 EECDHN COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000758508237 577625989 /nfs/dbraw/zinc/62/59/89/577625989.db2.gz VAAXXUROBGAIDV-UHFFFAOYSA-N 0 3 335.425 2.102 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c2c1c(F)ccc2[O-] ZINC000756788428 577850224 /nfs/dbraw/zinc/85/02/24/577850224.db2.gz ULRGYDHCWYKOHN-UQFNBPPOSA-N 0 3 336.407 2.305 20 10 EECDHN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1(O)CCN(C)CC1 ZINC000747412730 577943794 /nfs/dbraw/zinc/94/37/94/577943794.db2.gz QKXOEYFFQLDKTC-UHFFFAOYSA-N 0 3 347.484 2.342 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CCc2ccon2)N(C)C)cc1 ZINC000891249441 676244112 /nfs/dbraw/zinc/24/41/12/676244112.db2.gz QWGDBKVDJNGOTP-KRWDZBQOSA-N 0 3 330.432 2.092 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CCOCC2CC2)N(C)C)cc1 ZINC000891250662 676245629 /nfs/dbraw/zinc/24/56/29/676245629.db2.gz BOULTANMKMXALZ-GOSISDBHSA-N 0 3 333.476 2.288 20 10 EECDHN CC[C@@H]1CC[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000891251593 676248159 /nfs/dbraw/zinc/24/81/59/676248159.db2.gz HCIZFBJMEOUDJB-KURKYZTESA-N 0 3 333.476 2.429 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnc(F)c2)N(C)C)cc1 ZINC000891254774 676251691 /nfs/dbraw/zinc/25/16/91/676251691.db2.gz JEPRKTBQDGXCAO-INIZCTEOSA-N 0 3 330.407 2.319 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCCOC2)N(C)C)cc1 ZINC000892204989 678247741 /nfs/dbraw/zinc/24/77/41/678247741.db2.gz DPJSSZLUVZWFKG-YJBOKZPZSA-N 0 3 348.491 2.081 20 10 EECDHN CC(=O)OC[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000892621550 681991773 /nfs/dbraw/zinc/99/17/73/681991773.db2.gz KYXOGUPIFPWRKK-BFHYXJOUSA-N 0 3 338.423 2.481 20 10 EECDHN COC(=O)c1c(CNCCc2cnccn2)c2cc(F)ccc2n1C ZINC000894373785 682693678 /nfs/dbraw/zinc/69/36/78/682693678.db2.gz YEUSYNXQNIXMHV-UHFFFAOYSA-N 0 3 342.374 2.226 20 10 EECDHN CCO/C=C\[C@](O)(CNCc1c(O)cccc1OC)C(F)(F)F ZINC000895705936 684690648 /nfs/dbraw/zinc/69/06/48/684690648.db2.gz DARUYLUIVMVRJU-DANTVBBOSA-N 0 3 335.322 2.334 20 10 EECDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC(C)(C)C ZINC000123289468 684793199 /nfs/dbraw/zinc/79/31/99/684793199.db2.gz ZWWQMHQEBZLMCX-HUUCEWRRSA-N 0 3 333.476 2.477 20 10 EECDHN CC(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982133 1194290997 /nfs/dbraw/zinc/29/09/97/1194290997.db2.gz GFHSJHREBNPOEA-LJQANCHMSA-N 0 3 346.427 2.095 20 10 EECDHN CC(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272982133 1194291000 /nfs/dbraw/zinc/29/10/00/1194291000.db2.gz GFHSJHREBNPOEA-LJQANCHMSA-N 0 3 346.427 2.095 20 10 EECDHN COc1cc(Br)cc(CN2C[C@@H]3COC[C@@H]3C2)c1O ZINC000872266482 1198119417 /nfs/dbraw/zinc/11/94/17/1198119417.db2.gz GOQQLKCLNCOKME-PHIMTYICSA-N 0 3 328.206 2.242 20 10 EECDHN CN(C(=O)CCN1CCN(c2ccccc2)CC1)c1ccc(N)cc1 ZINC000877077741 1199859211 /nfs/dbraw/zinc/85/92/11/1199859211.db2.gz SMYCKPOOPLBFLI-UHFFFAOYSA-N 0 3 338.455 2.444 20 10 EECDHN Cc1ccc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 ZINC000886325178 1202492769 /nfs/dbraw/zinc/49/27/69/1202492769.db2.gz XXTWNJFAYBODME-UHFFFAOYSA-N 0 3 338.455 2.382 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c([O-])c1 ZINC001275275151 1205296607 /nfs/dbraw/zinc/29/66/07/1205296607.db2.gz CLIMEOWVHSGEKE-HOTGVXAUSA-N 0 3 333.432 2.167 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c([O-])c1 ZINC001275275151 1205296608 /nfs/dbraw/zinc/29/66/08/1205296608.db2.gz CLIMEOWVHSGEKE-HOTGVXAUSA-N 0 3 333.432 2.167 20 10 EECDHN CCn1ccnc1CN1CC2(C1)CN(Cc1c(O)cccc1F)C2 ZINC001276353959 1213898486 /nfs/dbraw/zinc/89/84/86/1213898486.db2.gz AOTMYDSULQDHCQ-UHFFFAOYSA-N 0 3 330.407 2.066 20 10 EECDHN CC=CC[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185312 1234073277 /nfs/dbraw/zinc/07/32/77/1234073277.db2.gz JVCVITMHKVMXTL-YMPXZSTISA-N 0 3 344.459 2.242 20 10 EECDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903233347 1240060614 /nfs/dbraw/zinc/06/06/14/1240060614.db2.gz GZBVCPDDLMQLSA-ZNMIVQPWSA-N 0 3 338.473 2.077 20 10 EECDHN CN(Cc1ccc(I)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC001235348487 1305200189 /nfs/dbraw/zinc/20/01/89/1305200189.db2.gz YSOZLZQWOIEWOO-LBPRGKRZSA-N 0 3 346.212 2.181 20 10 EECDHN CCN(CC)c1ccc(CN2C[C@](C)(CO)[C@](C)(CO)C2)cc1F ZINC000862518624 1295864815 /nfs/dbraw/zinc/86/48/15/1295864815.db2.gz FHZQQTUEPOHNJY-KDURUIRLSA-N 0 3 338.467 2.485 20 10 EECDHN COC[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000781426752 1303793541 /nfs/dbraw/zinc/79/35/41/1303793541.db2.gz MPFDJCSLGHEDRO-HIFRSBDPSA-N 0 3 342.867 2.489 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001231467902 1303809897 /nfs/dbraw/zinc/80/98/97/1303809897.db2.gz NOLCUITYNNPVEB-FXAWDEMLSA-N 0 3 343.423 2.146 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001231467902 1303809901 /nfs/dbraw/zinc/80/99/01/1303809901.db2.gz NOLCUITYNNPVEB-FXAWDEMLSA-N 0 3 343.423 2.146 20 10 EECDHN COc1cc(CN2CCC[C@H](Oc3ncc(C)cn3)C2)c(O)cc1O ZINC001231639822 1303876164 /nfs/dbraw/zinc/87/61/64/1303876164.db2.gz LIOVYLLEUWRSQB-AWEZNQCLSA-N 0 3 345.399 2.248 20 10 EECDHN COc1cc([O-])c(CN2CCCCC23C[NH2+]C3)c(Br)c1 ZINC001235104417 1305114896 /nfs/dbraw/zinc/11/48/96/1305114896.db2.gz LEIZFXAWCDNZIQ-UHFFFAOYSA-N 0 3 341.249 2.491 20 10 EECDHN COc1cc([O-])c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(Br)c1 ZINC001236424299 1305575877 /nfs/dbraw/zinc/57/58/77/1305575877.db2.gz KKYFLZCLEDXLQP-UWVGGRQHSA-N 0 3 329.238 2.346 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@@H]2C1 ZINC001237486149 1305954740 /nfs/dbraw/zinc/95/47/40/1305954740.db2.gz ONZAWLKYSRZYPZ-UWWQBHOKSA-N 0 3 332.444 2.016 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@@H]2C1 ZINC001237486149 1305954741 /nfs/dbraw/zinc/95/47/41/1305954741.db2.gz ONZAWLKYSRZYPZ-UWWQBHOKSA-N 0 3 332.444 2.016 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001237495332 1305957692 /nfs/dbraw/zinc/95/76/92/1305957692.db2.gz PVICJCIHIXKBQJ-UHFFFAOYSA-N 0 3 325.412 2.490 20 10 EECDHN CC[C@]1(C(=O)OC)C[C@H](NCc2ccc(N3CCCCC3)cc2)CN1 ZINC001246171428 1310251972 /nfs/dbraw/zinc/25/19/72/1310251972.db2.gz VUGDCBMXSPQDKI-FXAWDEMLSA-N 0 3 345.487 2.450 20 10 EECDHN [O-]c1ccc(F)cc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001140062876 1314806627 /nfs/dbraw/zinc/80/66/27/1314806627.db2.gz HGCRJQPGTDQFQZ-IAGOWNOFSA-N 0 3 327.403 2.490 20 10 EECDHN Cc1ccc(C)c(CN2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)c1O ZINC001140181402 1314828399 /nfs/dbraw/zinc/82/83/99/1314828399.db2.gz UGLMUBJBXORFAL-KZNAEPCWSA-N 0 3 344.455 2.125 20 10 EECDHN Cc1ccc(CN2CCC[C@@H](NC(=O)c3cccnc3)C2)c(O)c1 ZINC001140953455 1314995749 /nfs/dbraw/zinc/99/57/49/1314995749.db2.gz AFBSGCWXTSTPTD-QGZVFWFLSA-N 0 3 325.412 2.490 20 10 EECDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000840935392 1315440279 /nfs/dbraw/zinc/44/02/79/1315440279.db2.gz OAIYITFXHNQFBO-KRWDZBQOSA-N 0 3 341.459 2.080 20 10 EECDHN Nc1ccc(CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000841638266 1315590285 /nfs/dbraw/zinc/59/02/85/1315590285.db2.gz SRWQZVQKFZQLDC-LJQANCHMSA-N 0 3 338.455 2.385 20 10 EECDHN CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000841895084 1315631571 /nfs/dbraw/zinc/63/15/71/1315631571.db2.gz PUVMCNLEBGOJLC-UHFFFAOYSA-N 0 3 336.432 2.244 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c([O-])c1 ZINC001249201410 1317023050 /nfs/dbraw/zinc/02/30/50/1317023050.db2.gz RXICRQWKRVOLTG-MRXNPFEDSA-N 0 3 326.396 2.492 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c([O-])c1 ZINC001249201410 1317023058 /nfs/dbraw/zinc/02/30/58/1317023058.db2.gz RXICRQWKRVOLTG-MRXNPFEDSA-N 0 3 326.396 2.492 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC(c3nnc(C)o3)CC2)c([O-])c1 ZINC001249214544 1317024967 /nfs/dbraw/zinc/02/49/67/1317024967.db2.gz NWNPVHWRMRQZOC-UHFFFAOYSA-N 0 3 345.399 2.179 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[NH+]2CC(C3COC3)C2)c([O-])c1 ZINC001249724592 1317158477 /nfs/dbraw/zinc/15/84/77/1317158477.db2.gz IVWXOXPRMZLMHM-UHFFFAOYSA-N 0 3 349.427 2.193 20 10 EECDHN COc1ccc(O)c(CN2CCC[C@H](Oc3nccc(OC)n3)C2)c1 ZINC001203684032 1321940447 /nfs/dbraw/zinc/94/04/47/1321940447.db2.gz KAQDBCRPGAMLRJ-HNNXBMFYSA-N 0 3 345.399 2.243 20 10 EECDHN Oc1ccc(CN2CCC3(C[C@H](c4cncnc4)CO3)CC2)cc1O ZINC001203877730 1321980763 /nfs/dbraw/zinc/98/07/63/1321980763.db2.gz HYRSLRYMWGWSHV-HNNXBMFYSA-N 0 3 341.411 2.427 20 10 EECDHN Oc1ccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cc1O ZINC001203877754 1321980826 /nfs/dbraw/zinc/98/08/26/1321980826.db2.gz IULFDPPFRVGVNE-LJQANCHMSA-N 0 3 340.427 2.380 20 10 EECDHN CCN(CC)c1ccc(CN2CCc3[nH]c(=O)[nH]c(=O)c3C2)cc1 ZINC001203942882 1321995642 /nfs/dbraw/zinc/99/56/42/1321995642.db2.gz WXBWPPUUYACHEO-UHFFFAOYSA-N 0 3 328.416 2.292 20 10 EECDHN COC(=O)C1(O)CCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204240370 1322088703 /nfs/dbraw/zinc/08/87/03/1322088703.db2.gz QIHYPTNEZGXYTO-UHFFFAOYSA-N 0 3 342.439 2.406 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001204272688 1322099176 /nfs/dbraw/zinc/09/91/76/1322099176.db2.gz HENZSHKYRATFQL-ZWKOTPCHSA-N 0 3 325.412 2.342 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001204272688 1322099181 /nfs/dbraw/zinc/09/91/81/1322099181.db2.gz HENZSHKYRATFQL-ZWKOTPCHSA-N 0 3 325.412 2.342 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC001320523113 1332902710 /nfs/dbraw/zinc/90/27/10/1332902710.db2.gz VWVLXBHUBSRMCY-PBHICJAKSA-N 0 3 331.416 2.222 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC001320523113 1332902713 /nfs/dbraw/zinc/90/27/13/1332902713.db2.gz VWVLXBHUBSRMCY-PBHICJAKSA-N 0 3 331.416 2.222 20 10 EECDHN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000691461522 1371205537 /nfs/dbraw/zinc/20/55/37/1371205537.db2.gz IQJFRDZNCKVRHY-ZIAGYGMSSA-N 0 3 341.249 2.108 20 10 EECDHN CO[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H]1O ZINC000825023642 788399438 /nfs/dbraw/zinc/39/94/38/788399438.db2.gz FKRFFTUFNRZZJB-NHCUHLMSSA-N 0 3 338.451 2.441 20 10 EECDHN Cc1cc([O-])c(C[NH2+]C[C@@H](C)CN2CCN(C)CC2)cc1Cl ZINC000825247527 788533774 /nfs/dbraw/zinc/53/37/74/788533774.db2.gz UEONOYLGTHMHLS-CYBMUJFWSA-N 0 3 325.884 2.327 20 10 EECDHN COc1cccc([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000846150717 790064052 /nfs/dbraw/zinc/06/40/52/790064052.db2.gz NORZCWZXKJITLT-GXSJLCMTSA-N 0 3 332.322 2.215 20 10 EECDHN CC(C)CNC(=O)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074588 798059165 /nfs/dbraw/zinc/05/91/65/798059165.db2.gz AYMLAVWUTZXIHR-UHFFFAOYSA-N 0 3 348.491 2.445 20 10 EECDHN COc1cccc([O-])c1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000922676759 801657728 /nfs/dbraw/zinc/65/77/28/801657728.db2.gz JERFBFZLJMMLTQ-UHFFFAOYSA-N 0 3 335.425 2.137 20 10 EECDHN Cc1cccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)c1O ZINC000826298480 947862754 /nfs/dbraw/zinc/86/27/54/947862754.db2.gz VAPKBMSQJPLWRQ-UHFFFAOYSA-N 0 3 325.372 2.049 20 10 EECDHN CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC000191621897 237260286 /nfs/dbraw/zinc/26/02/86/237260286.db2.gz NRMYTBQBFYQPBL-CQSZACIVSA-N 0 3 332.379 2.033 20 10 EECDHN CCn1nccc1N1CCC[C@H](NCc2ccc3c(c2)CCO3)C1=O ZINC000191643812 237266420 /nfs/dbraw/zinc/26/64/20/237266420.db2.gz RQYRIBQKVJVWMZ-INIZCTEOSA-N 0 3 340.427 2.123 20 10 EECDHN CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4cccc([O-])c43)cn2)CC1 ZINC000295952240 465031900 /nfs/dbraw/zinc/03/19/00/465031900.db2.gz LMZIMPJFFLTUOY-QGZVFWFLSA-N 0 3 338.455 2.316 20 10 EECDHN CN(C)S(=O)(=O)c1ccccc1CN[C@@H]1CCc2cccc(O)c21 ZINC000296084098 465075825 /nfs/dbraw/zinc/07/58/25/465075825.db2.gz STSDWHIUVNQTDA-OAHLLOKOSA-N 0 3 346.452 2.420 20 10 EECDHN CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296167413 465101783 /nfs/dbraw/zinc/10/17/83/465101783.db2.gz XLHVVYVILBQRLV-MRXNPFEDSA-N 0 3 346.452 2.420 20 10 EECDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CN1C1CC1 ZINC000127632934 462570431 /nfs/dbraw/zinc/57/04/31/462570431.db2.gz RBITWEPQLLVGQB-TZMCWYRMSA-N 0 3 334.439 2.316 20 10 EECDHN Cc1cc(C(=O)NC[C@](C)(O)CN(C)C)c(C)n1-c1ccc(F)cc1 ZINC000153247226 462630732 /nfs/dbraw/zinc/63/07/32/462630732.db2.gz JZTFGRUZILNVMN-IBGZPJMESA-N 0 3 347.434 2.276 20 10 EECDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000119821375 462931774 /nfs/dbraw/zinc/93/17/74/462931774.db2.gz PMKSLHGPKQXMOP-MRXNPFEDSA-N 0 3 333.476 2.305 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1 ZINC000185255524 463788084 /nfs/dbraw/zinc/78/80/84/463788084.db2.gz PUNOJEQKZHGHGM-CYBMUJFWSA-N 0 3 326.462 2.023 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000185256732 463788067 /nfs/dbraw/zinc/78/80/67/463788067.db2.gz YUCGYBVSOOJXBT-ZDUSSCGKSA-N 0 3 326.462 2.023 20 10 EECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CNCCO1 ZINC000269101973 463874350 /nfs/dbraw/zinc/87/43/50/463874350.db2.gz DYQCBQQOBOALIR-SFHVURJKSA-N 0 3 331.460 2.014 20 10 EECDHN C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(F)ccc1[O-] ZINC000186082632 463933786 /nfs/dbraw/zinc/93/37/86/463933786.db2.gz AGCGGXKTSYFQHB-FZMZJTMJSA-N 0 3 332.379 2.111 20 10 EECDHN COc1cc(C[NH2+]Cc2ccccc2[O-])ccc1OCC(=O)N(C)C ZINC000263718167 464166359 /nfs/dbraw/zinc/16/63/59/464166359.db2.gz VXGURKCBWMGYQC-UHFFFAOYSA-N 0 3 344.411 2.158 20 10 EECDHN O=S1(=O)CCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000264367532 464299093 /nfs/dbraw/zinc/29/90/93/464299093.db2.gz KVUZKDOUJCUBNB-UHFFFAOYSA-N 0 3 346.452 2.184 20 10 EECDHN CC(C)(C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1)C(N)=O ZINC000294697105 464578822 /nfs/dbraw/zinc/57/88/22/464578822.db2.gz CSSNQZJLYQECME-GFCCVEGCSA-N 0 3 334.416 2.235 20 10 EECDHN CC(C)(C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1)C(N)=O ZINC000294697105 464578826 /nfs/dbraw/zinc/57/88/26/464578826.db2.gz CSSNQZJLYQECME-GFCCVEGCSA-N 0 3 334.416 2.235 20 10 EECDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000268109564 464949534 /nfs/dbraw/zinc/94/95/34/464949534.db2.gz HVPKSGSDNMNDBQ-KXBFYZLASA-N 0 3 340.471 2.345 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000295824949 464977363 /nfs/dbraw/zinc/97/73/63/464977363.db2.gz CCJYEBLVCFMQSB-QXAKKESOSA-N 0 3 345.487 2.114 20 10 EECDHN CCN1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000299398444 465731085 /nfs/dbraw/zinc/73/10/85/465731085.db2.gz BLNLXLGEEKTKTK-UHFFFAOYSA-N 0 3 330.476 2.353 20 10 EECDHN COc1cc(O)c(CN2CCC[C@H](N3CCCCC3=O)C2)cc1OC ZINC000371366627 465745681 /nfs/dbraw/zinc/74/56/81/465745681.db2.gz NFPAAPFPZOBXSX-HNNXBMFYSA-N 0 3 348.443 2.386 20 10 EECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000368052156 466573572 /nfs/dbraw/zinc/57/35/72/466573572.db2.gz UAESRPOUBXTSPT-HNNXBMFYSA-N 0 3 333.432 2.171 20 10 EECDHN CC[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(C)cc1[O-] ZINC000373531963 466835750 /nfs/dbraw/zinc/83/57/50/466835750.db2.gz SYZLDVDDNBDHTH-WTANOLMUSA-N 0 3 345.443 2.462 20 10 EECDHN CCCNC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847088 577127331 /nfs/dbraw/zinc/12/73/31/577127331.db2.gz CHAZQYMRYQCCIJ-UHFFFAOYSA-N 0 3 333.432 2.373 20 10 EECDHN CCCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847088 577127332 /nfs/dbraw/zinc/12/73/32/577127332.db2.gz CHAZQYMRYQCCIJ-UHFFFAOYSA-N 0 3 333.432 2.373 20 10 EECDHN NC(=O)[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000771934036 577239633 /nfs/dbraw/zinc/23/96/33/577239633.db2.gz SMNNOMXTTKLWFV-HNNXBMFYSA-N 0 3 346.431 2.282 20 10 EECDHN CN1CCN(c2ccc(CN3CCS[C@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736284 577444219 /nfs/dbraw/zinc/44/42/19/577444219.db2.gz BKBBUJZUIMNAMC-OALUTQOASA-N 0 3 347.528 2.145 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000777722876 577485426 /nfs/dbraw/zinc/48/54/26/577485426.db2.gz WQSQZYUZICXUTJ-SCRDCRAPSA-N 0 3 327.446 2.407 20 10 EECDHN C[C@@H](NCC(=O)NCc1ccco1)c1ccc(N2CCOCC2)cc1 ZINC000764810218 577488816 /nfs/dbraw/zinc/48/88/16/577488816.db2.gz NMCMKZQIHNFVJL-OAHLLOKOSA-N 0 3 343.427 2.083 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@@H](CCCN3C3CC3)C1)[C@@H](O)CO2 ZINC000768462931 577556302 /nfs/dbraw/zinc/55/63/02/577556302.db2.gz OXCJZSXEOMLWJD-IRWQIABSSA-N 0 3 344.455 2.267 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3[C@@H](CCCN3C3CC3)C1)[C@@H](O)CO2 ZINC000768462931 577556303 /nfs/dbraw/zinc/55/63/03/577556303.db2.gz OXCJZSXEOMLWJD-IRWQIABSSA-N 0 3 344.455 2.267 20 10 EECDHN COc1ccc([C@@H](CO)N(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000769425829 577577651 /nfs/dbraw/zinc/57/76/51/577577651.db2.gz WYHQSLRMXQRYQI-OAHLLOKOSA-N 0 3 331.368 2.295 20 10 EECDHN Cn1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000763460664 577721525 /nfs/dbraw/zinc/72/15/25/577721525.db2.gz OTACSCPAUZKCCW-KRWDZBQOSA-N 0 3 326.444 2.017 20 10 EECDHN C[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])S(C)(=O)=O ZINC000753572638 577790136 /nfs/dbraw/zinc/79/01/36/577790136.db2.gz VLTLBCVPWSJECY-AWEZNQCLSA-N 0 3 349.452 2.494 20 10 EECDHN CCOc1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000754084737 577799996 /nfs/dbraw/zinc/79/99/96/577799996.db2.gz ZRBOTPCMOZFEBI-AEFFLSMTSA-N 0 3 331.412 2.365 20 10 EECDHN C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)c2c1c(F)ccc2[O-] ZINC000756758083 577849787 /nfs/dbraw/zinc/84/97/87/577849787.db2.gz GVIHMOZHZQBGJH-GXFFZTMASA-N 0 3 327.421 2.494 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756771562 577850050 /nfs/dbraw/zinc/85/00/50/577850050.db2.gz ZEBKXCVDKVZCJK-WZRBSPASSA-N 0 3 342.436 2.093 20 10 EECDHN COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC000821818703 599396605 /nfs/dbraw/zinc/39/66/05/599396605.db2.gz YVFRNPXTHNBRQI-UHFFFAOYSA-N 0 3 338.415 2.231 20 10 EECDHN COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC000821818703 599396608 /nfs/dbraw/zinc/39/66/08/599396608.db2.gz YVFRNPXTHNBRQI-UHFFFAOYSA-N 0 3 338.415 2.231 20 10 EECDHN CN(C)CCCS(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000866842550 674593504 /nfs/dbraw/zinc/59/35/04/674593504.db2.gz DQKFACDSLGWSEM-UHFFFAOYSA-N 0 3 340.489 2.418 20 10 EECDHN CCOC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC000891247234 676241509 /nfs/dbraw/zinc/24/15/09/676241509.db2.gz RVEWJNRZSSIWGV-QGZVFWFLSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\[C@@H]2CCCO2)N(C)C)cc1 ZINC000891246932 676242358 /nfs/dbraw/zinc/24/23/58/676242358.db2.gz FQFGMYCPOYJTKU-NJYOSPNCSA-N 0 3 331.460 2.207 20 10 EECDHN CCn1nc(C)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891252357 676249375 /nfs/dbraw/zinc/24/93/75/676249375.db2.gz JVDCWVBVAWIXFD-SFHVURJKSA-N 0 3 343.475 2.310 20 10 EECDHN C[C@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000051150400 676627800 /nfs/dbraw/zinc/62/78/00/676627800.db2.gz OBOKLABKACJMBU-HNNXBMFYSA-N 0 3 349.450 2.010 20 10 EECDHN CSC[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893099987 683751130 /nfs/dbraw/zinc/75/11/30/683751130.db2.gz WQRRWUGYGVWHSE-CZUORRHYSA-N 0 3 338.521 2.406 20 10 EECDHN CC[N@@H+](CCC(=O)NC)Cc1cc(Br)cc(OC)c1[O-] ZINC000897710343 691753292 /nfs/dbraw/zinc/75/32/92/691753292.db2.gz SBZWOKBOSHJNCB-UHFFFAOYSA-N 0 3 345.237 2.121 20 10 EECDHN CC[N@H+](CCC(=O)NC)Cc1cc(Br)cc(OC)c1[O-] ZINC000897710343 691753289 /nfs/dbraw/zinc/75/32/89/691753289.db2.gz SBZWOKBOSHJNCB-UHFFFAOYSA-N 0 3 345.237 2.121 20 10 EECDHN CCOCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001272766636 1193487910 /nfs/dbraw/zinc/48/79/10/1193487910.db2.gz SODSTBVFMSLCNI-QGZVFWFLSA-N 0 3 346.471 2.455 20 10 EECDHN CN(C)CCN(Cc1ccco1)C(=O)NCCc1ccc(N)cc1 ZINC000841956739 1188208643 /nfs/dbraw/zinc/20/86/43/1188208643.db2.gz FNGMZUMJSXLNTD-UHFFFAOYSA-N 0 3 330.432 2.178 20 10 EECDHN CC[C@H](C)N1CC[C@]2(CCN(Cc3cc(O)c(O)c(OC)c3)C2)C1=O ZINC001272987416 1194295661 /nfs/dbraw/zinc/29/56/61/1194295661.db2.gz BFZIBJWZADCGIV-DJJJIMSYSA-N 0 3 348.443 2.329 20 10 EECDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccccc3[O-])CC2)cn1 ZINC000876995800 1199839652 /nfs/dbraw/zinc/83/96/52/1199839652.db2.gz ISDAQPSITPIKSI-UHFFFAOYSA-N 0 3 328.372 2.454 20 10 EECDHN Cc1ccc(CNCCS(=O)(=O)CCc2ccccc2)c(O)c1 ZINC000877501373 1199949133 /nfs/dbraw/zinc/94/91/33/1199949133.db2.gz NTMDXRNSRYYXCW-UHFFFAOYSA-N 0 3 333.453 2.448 20 10 EECDHN COc1ccc(O)c([C@@H](C)NC[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000866435933 1201517106 /nfs/dbraw/zinc/51/71/06/1201517106.db2.gz HLAIYYABIUPXNN-NOZJJQNGSA-N 0 3 330.310 2.447 20 10 EECDHN COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2[O-])C3)CCC1 ZINC001275266061 1205293969 /nfs/dbraw/zinc/29/39/69/1205293969.db2.gz QPZRCUNBXNRTKH-RDJZCZTQSA-N 0 3 344.455 2.384 20 10 EECDHN COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2[O-])C3)CCC1 ZINC001275266061 1205293970 /nfs/dbraw/zinc/29/39/70/1205293970.db2.gz QPZRCUNBXNRTKH-RDJZCZTQSA-N 0 3 344.455 2.384 20 10 EECDHN CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c1O ZINC001275271757 1205294482 /nfs/dbraw/zinc/29/44/82/1205294482.db2.gz XRYMSTWWYJSPOQ-CALCHBBNSA-N 0 3 342.443 2.363 20 10 EECDHN COCCOCN1CCC2(CN(Cc3ccc(N(C)C)c(C)c3)C2)C1 ZINC001275360640 1205320321 /nfs/dbraw/zinc/32/03/21/1205320321.db2.gz FHLBCLOQXKZLCE-UHFFFAOYSA-N 0 3 347.503 2.189 20 10 EECDHN O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(F)ccc2[O-])[nH]1 ZINC001275909309 1205581316 /nfs/dbraw/zinc/58/13/16/1205581316.db2.gz UYYOWKGWICNCBU-IRXDYDNUSA-N 0 3 343.402 2.481 20 10 EECDHN O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)ccc2[O-])[nH]1 ZINC001275909309 1205581317 /nfs/dbraw/zinc/58/13/17/1205581317.db2.gz UYYOWKGWICNCBU-IRXDYDNUSA-N 0 3 343.402 2.481 20 10 EECDHN Cc1ncc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000930203931 1206541028 /nfs/dbraw/zinc/54/10/28/1206541028.db2.gz GHYTYAISTVCYEQ-QGZVFWFLSA-N 0 3 342.447 2.275 20 10 EECDHN CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000192844229 1210605675 /nfs/dbraw/zinc/60/56/75/1210605675.db2.gz KNAOTYCNAMXPBT-ZDUSSCGKSA-N 0 3 326.462 2.247 20 10 EECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000796468114 1218461390 /nfs/dbraw/zinc/46/13/90/1218461390.db2.gz FZXYKKRIKHROKX-AWEZNQCLSA-N 0 3 333.432 2.171 20 10 EECDHN COC[C@@H](C)N1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009673267 1223328540 /nfs/dbraw/zinc/32/85/40/1223328540.db2.gz OVBPOYGQBUVLBP-DOMZBBRYSA-N 0 3 347.419 2.078 20 10 EECDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CC[NH2+]C[C@@H]1F ZINC001220212434 1298305518 /nfs/dbraw/zinc/30/55/18/1298305518.db2.gz JUAFHRBMEGUELP-AAEUAGOBSA-N 0 3 337.782 2.158 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192630 1301745453 /nfs/dbraw/zinc/74/54/53/1301745453.db2.gz RGLUVYUKJGRWEV-OAHLLOKOSA-N 0 3 342.399 2.062 20 10 EECDHN CN(C)c1ccc(CNCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000781048352 1303728796 /nfs/dbraw/zinc/72/87/96/1303728796.db2.gz KAHJZQUPERNIPY-UHFFFAOYSA-N 0 3 341.411 2.252 20 10 EECDHN Cc1cccc(CN2CCN(Cc3ccccc3)[C@H](CO)C2)c1O ZINC001231591234 1303858033 /nfs/dbraw/zinc/85/80/33/1303858033.db2.gz WZRGDTIWEFQQRH-IBGZPJMESA-N 0 3 326.440 2.379 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)c([O-])c1 ZINC001277567906 1303921551 /nfs/dbraw/zinc/92/15/51/1303921551.db2.gz JBNPNNLESCTCBM-DOHHPOSVSA-N 0 3 344.455 2.158 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)c([O-])c1 ZINC001277567906 1303921554 /nfs/dbraw/zinc/92/15/54/1303921554.db2.gz JBNPNNLESCTCBM-DOHHPOSVSA-N 0 3 344.455 2.158 20 10 EECDHN COC(=O)c1c(CN2CC[C@@H]3COC[C@@H]3C2)c2ccccc2n1C ZINC001232402912 1304109015 /nfs/dbraw/zinc/10/90/15/1304109015.db2.gz RVVTWLYPIRPOMG-KGLIPLIRSA-N 0 3 328.412 2.433 20 10 EECDHN CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000783505689 1304289318 /nfs/dbraw/zinc/28/93/18/1304289318.db2.gz WQVPYYLUHXQUOG-ZDUSSCGKSA-N 0 3 334.441 2.292 20 10 EECDHN O=C1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]2CCCN12 ZINC001233776392 1304588787 /nfs/dbraw/zinc/58/87/87/1304588787.db2.gz QWIKFGPZWVKPQE-LBPRGKRZSA-N 0 3 344.333 2.488 20 10 EECDHN O=C1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@@H]2CCCN12 ZINC001233776392 1304588790 /nfs/dbraw/zinc/58/87/90/1304588790.db2.gz QWIKFGPZWVKPQE-LBPRGKRZSA-N 0 3 344.333 2.488 20 10 EECDHN CC(C)(C)c1cc([O-])c(CN2CCN3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC001234975586 1305068619 /nfs/dbraw/zinc/06/86/19/1305068619.db2.gz PMPTVFJZCVBPKX-CQSZACIVSA-N 0 3 337.895 2.433 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1Br ZINC001235902668 1305440510 /nfs/dbraw/zinc/44/05/10/1305440510.db2.gz MQXDMSMJKOFYMM-AOOOYVTPSA-N 0 3 329.238 2.346 20 10 EECDHN CCOC(=O)[C@@H]1CN(Cc2c(C)cc(OC)cc2O)CCS1 ZINC001236821812 1305689221 /nfs/dbraw/zinc/68/92/21/1305689221.db2.gz UJSSNWFYNUFTPX-HNNXBMFYSA-N 0 3 325.430 2.190 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCN(C(C)(C)C)CC2)cc1 ZINC001115867325 1305841873 /nfs/dbraw/zinc/84/18/73/1305841873.db2.gz NEVBGEWFYZEQCA-UHFFFAOYSA-N 0 3 346.519 2.127 20 10 EECDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1[O-] ZINC001238062604 1306206029 /nfs/dbraw/zinc/20/60/29/1306206029.db2.gz VEGHWBQCSJWIDY-GASCZTMLSA-N 0 3 328.391 2.198 20 10 EECDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1[O-] ZINC001238062604 1306206036 /nfs/dbraw/zinc/20/60/36/1306206036.db2.gz VEGHWBQCSJWIDY-GASCZTMLSA-N 0 3 328.391 2.198 20 10 EECDHN Cc1ccc(C)c(CN2CC[C@H]3C[C@]32C(=O)NCc2c[nH]cn2)c1O ZINC001278357737 1309758222 /nfs/dbraw/zinc/75/82/22/1309758222.db2.gz MLXVKEBVLBFNJT-IFXJQAMLSA-N 0 3 340.427 2.013 20 10 EECDHN CN(C)Cc1ccc(-c2noc(CN3C(=O)CSC3=S)n2)cc1 ZINC001247596445 1310642398 /nfs/dbraw/zinc/64/23/98/1310642398.db2.gz OROZXDFUASVEIZ-UHFFFAOYSA-N 0 3 348.453 2.159 20 10 EECDHN Cc1ccc(CN2CCN(CCNC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001140947706 1314993780 /nfs/dbraw/zinc/99/37/80/1314993780.db2.gz BPTISSITRKICIN-UHFFFAOYSA-N 0 3 349.475 2.343 20 10 EECDHN C[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H](C)CN1 ZINC000841849534 1315622789 /nfs/dbraw/zinc/62/27/89/1315622789.db2.gz ZLALBEZKHGQLFP-VXGBXAGGSA-N 0 3 330.457 2.139 20 10 EECDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C[C@H]1C(=O)OC ZINC001257725214 1319060894 /nfs/dbraw/zinc/06/08/94/1319060894.db2.gz BNMOQCYLVJHLOZ-RRFJBIMHSA-N 0 3 349.427 2.230 20 10 EECDHN CCN(CC)c1ccc(CN2CCC(N3CCOCC3=O)CC2)cc1 ZINC001203946496 1321996098 /nfs/dbraw/zinc/99/60/98/1321996098.db2.gz UHIHEFUDQFWZLA-UHFFFAOYSA-N 0 3 345.487 2.356 20 10 EECDHN CN1CCN(c2ccc(CN3CC(C)(C)[C@@H]4COC[C@@H]43)cc2F)CC1 ZINC001324676485 1333736746 /nfs/dbraw/zinc/73/67/46/1333736746.db2.gz KSYQPSWQGAGTHX-APWZRJJASA-N 0 3 347.478 2.434 20 10 EECDHN CCc1cccc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c1O ZINC000848884801 1338792522 /nfs/dbraw/zinc/79/25/22/1338792522.db2.gz FXYWXZSSEUENCR-QGZVFWFLSA-N 0 3 332.444 2.168 20 10 EECDHN CN1CCCc2cc(CN3CCN(CCC(C)(C)O)CC3)ccc21 ZINC001138359034 1372386791 /nfs/dbraw/zinc/38/67/91/1372386791.db2.gz IEIOWXWLRPKDFE-UHFFFAOYSA-N 0 3 331.504 2.348 20 10 EECDHN CCN(CC)c1ccc(CN2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001140850800 1372695643 /nfs/dbraw/zinc/69/56/43/1372695643.db2.gz UWCYIRNZLYGXHM-SFHVURJKSA-N 0 3 333.476 2.145 20 10 EECDHN COc1cc(O)c(CN2CCC(NC(=O)C3CCC3)CC2)c(OC)c1 ZINC001141028433 1372743160 /nfs/dbraw/zinc/74/31/60/1372743160.db2.gz ODJXOHDGLIYPBU-UHFFFAOYSA-N 0 3 348.443 2.290 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)c(OC)c1 ZINC001141030803 1372744962 /nfs/dbraw/zinc/74/49/62/1372744962.db2.gz LUYNITJCYOSAKF-LBPRGKRZSA-N 0 3 333.388 2.480 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3nnc(C)o3)C2)c(OC)c1 ZINC001141030803 1372744964 /nfs/dbraw/zinc/74/49/64/1372744964.db2.gz LUYNITJCYOSAKF-LBPRGKRZSA-N 0 3 333.388 2.480 20 10 EECDHN COc1ccc(CNC/C=C\CNC(=O)c2ccc(=O)[nH]c2)cc1C ZINC001754203058 1406867971 /nfs/dbraw/zinc/86/79/71/1406867971.db2.gz VOCAJVGVJLBEDK-ARJAWSKDSA-N 0 3 341.411 2.180 20 10 EECDHN O=C(N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824828095 788330463 /nfs/dbraw/zinc/33/04/63/788330463.db2.gz LBCOTNPFEZLISJ-YPMHNXCESA-N 0 3 328.334 2.235 20 10 EECDHN O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824828095 788330471 /nfs/dbraw/zinc/33/04/71/788330471.db2.gz LBCOTNPFEZLISJ-YPMHNXCESA-N 0 3 328.334 2.235 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846191290 790084907 /nfs/dbraw/zinc/08/49/07/790084907.db2.gz XMMJYDUDKLNMMN-JQWIXIFHSA-N 0 3 332.853 2.039 20 10 EECDHN COc1cc([O-])c(CN2CC[NH2+]CC2(C)C)c(Br)c1 ZINC001235827530 796628415 /nfs/dbraw/zinc/62/84/15/796628415.db2.gz PEILUJPVOKCLJX-UHFFFAOYSA-N 0 3 329.238 2.347 20 10 EECDHN CCNc1nc(NC(C)(C)C)nc(N(C)Cc2ccccc2O)n1 ZINC000804577686 810947395 /nfs/dbraw/zinc/94/73/95/810947395.db2.gz IEXALYMZQSXRQB-UHFFFAOYSA-N 0 3 330.436 2.278 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c1[O-] ZINC000808706231 812814125 /nfs/dbraw/zinc/81/41/25/812814125.db2.gz ZLJRMBJIDNGHDW-NSHDSACASA-N 0 3 334.869 2.332 20 10 EECDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000296470969 465205124 /nfs/dbraw/zinc/20/51/24/465205124.db2.gz PLOGIFZQLBXZJK-MGPQQGTHSA-N 0 3 349.450 2.196 20 10 EECDHN CCCN(Cc1ccccc1O)C(=O)NCCCN(C)CCOC ZINC000066700238 462921758 /nfs/dbraw/zinc/92/17/58/462921758.db2.gz KUWMOOWDCVJBSI-UHFFFAOYSA-N 0 3 337.464 2.282 20 10 EECDHN COCCN(C)CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000073721302 463648524 /nfs/dbraw/zinc/64/85/24/463648524.db2.gz ZSSHEDPHINSOBT-UHFFFAOYSA-N 0 3 349.475 2.039 20 10 EECDHN CC(C)NS(=O)(=O)CCN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185970967 463914128 /nfs/dbraw/zinc/91/41/28/463914128.db2.gz SFFVHIACTLGZGJ-ZDUSSCGKSA-N 0 3 340.489 2.249 20 10 EECDHN CCNC(=O)OC[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000289677178 464088850 /nfs/dbraw/zinc/08/88/50/464088850.db2.gz ZKUZQFYZAKGKFR-CYBMUJFWSA-N 0 3 336.388 2.222 20 10 EECDHN CC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280295753 464196507 /nfs/dbraw/zinc/19/65/07/464196507.db2.gz ZMYOSWDVJPTIER-HIFRSBDPSA-N 0 3 326.462 2.165 20 10 EECDHN COC(=O)[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000271722477 464370495 /nfs/dbraw/zinc/37/04/95/464370495.db2.gz KNYKXBAPTSLPPS-SNVBAGLBSA-N 0 3 328.206 2.458 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C2(CO)CCOCC2)c1[O-] ZINC000271829833 464393776 /nfs/dbraw/zinc/39/37/76/464393776.db2.gz DTLWMCGKTQKTOL-UHFFFAOYSA-N 0 3 330.222 2.094 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/CN(C)C)cc2F)C[C@H](C)O1 ZINC000264648345 464407814 /nfs/dbraw/zinc/40/78/14/464407814.db2.gz RXCFDTOKKOMNFK-FKZIUMHTSA-N 0 3 349.450 2.173 20 10 EECDHN Cc1cc(O)c(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC000285577460 464616325 /nfs/dbraw/zinc/61/63/25/464616325.db2.gz UVUSURSYEWUQEZ-OAHLLOKOSA-N 0 3 332.366 2.362 20 10 EECDHN Cc1cc([O-])c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1C ZINC000285577460 464616327 /nfs/dbraw/zinc/61/63/27/464616327.db2.gz UVUSURSYEWUQEZ-OAHLLOKOSA-N 0 3 332.366 2.362 20 10 EECDHN COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000285584701 464617632 /nfs/dbraw/zinc/61/76/32/464617632.db2.gz UETDCSIRNYTWNI-OAHLLOKOSA-N 0 3 333.432 2.171 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+]CC2(OCCOC)CCOCC2)c1 ZINC000294841835 464621693 /nfs/dbraw/zinc/62/16/93/464621693.db2.gz RGKHOCRCLPNMHI-UHFFFAOYSA-N 0 3 339.432 2.093 20 10 EECDHN COc1ccc(O)c([C@H](C)NCc2ccc(N3CCOCC3)nc2)c1 ZINC000273305058 464710699 /nfs/dbraw/zinc/71/06/99/464710699.db2.gz COTPOOOKAZUZOR-AWEZNQCLSA-N 0 3 343.427 2.483 20 10 EECDHN Cc1ccc([C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)c(O)c1C ZINC000273467847 464717263 /nfs/dbraw/zinc/71/72/63/464717263.db2.gz JGBCJSMSFGNIBM-CJNGLKHVSA-N 0 3 328.416 2.199 20 10 EECDHN CN(Cc1c([O-])cccc1Cl)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295192068 464738951 /nfs/dbraw/zinc/73/89/51/464738951.db2.gz XLORHXJNFQTQCP-LLVKDONJSA-N 0 3 344.839 2.363 20 10 EECDHN CN(Cc1c(O)cccc1Cl)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295192068 464738955 /nfs/dbraw/zinc/73/89/55/464738955.db2.gz XLORHXJNFQTQCP-LLVKDONJSA-N 0 3 344.839 2.363 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000363845173 466635188 /nfs/dbraw/zinc/63/51/88/466635188.db2.gz ANGGELASOKKOIY-LXIYXOSZSA-N 0 3 331.416 2.072 20 10 EECDHN COc1ccc(O)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369556695 466738624 /nfs/dbraw/zinc/73/86/24/466738624.db2.gz OMBSSJZHKSWWHY-UHFFFAOYSA-N 0 3 332.360 2.343 20 10 EECDHN COc1ccc([O-])c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369556695 466738626 /nfs/dbraw/zinc/73/86/26/466738626.db2.gz OMBSSJZHKSWWHY-UHFFFAOYSA-N 0 3 332.360 2.343 20 10 EECDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 ZINC000775368672 577436013 /nfs/dbraw/zinc/43/60/13/577436013.db2.gz DMQVICMYGSLDNX-PWSUYJOCSA-N 0 3 346.431 2.429 20 10 EECDHN CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C(=O)OC ZINC000775835437 577446919 /nfs/dbraw/zinc/44/69/19/577446919.db2.gz YTRSWPDWZOFDIW-DEYYWGMASA-N 0 3 349.475 2.107 20 10 EECDHN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000776001043 577450426 /nfs/dbraw/zinc/45/04/26/577450426.db2.gz OJNNLPYAFPGMQU-APWZRJJASA-N 0 3 345.487 2.212 20 10 EECDHN Cc1cccc(N2CCN(Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1 ZINC000768442466 577555705 /nfs/dbraw/zinc/55/57/05/577555705.db2.gz PHOQHLMRQONJFU-LJQANCHMSA-N 0 3 340.423 2.449 20 10 EECDHN CC(C)N1CCN(C2CCN(C(=O)C3=CC(=O)CS3)CC2)CC1 ZINC000761039274 577674632 /nfs/dbraw/zinc/67/46/32/577674632.db2.gz VPJPHLQKCILHDV-UHFFFAOYSA-N 0 3 337.489 2.084 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)cc1F ZINC000753741261 577792593 /nfs/dbraw/zinc/79/25/93/577792593.db2.gz FQMBIXRBGQMUGV-GJZGRUSLSA-N 0 3 349.450 2.356 20 10 EECDHN C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000756403850 577843520 /nfs/dbraw/zinc/84/35/20/577843520.db2.gz RIGUWIGWLOGAFD-CYBMUJFWSA-N 0 3 340.489 2.203 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000756563025 577846920 /nfs/dbraw/zinc/84/69/20/577846920.db2.gz MDRCWSQPAKPEHA-HNNXBMFYSA-N 0 3 333.476 2.294 20 10 EECDHN Cc1cc(O)c(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1C ZINC000742390611 577872203 /nfs/dbraw/zinc/87/22/03/577872203.db2.gz JVFFWOWRRDXPFP-CZUORRHYSA-N 0 3 328.416 2.026 20 10 EECDHN COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891248568 676242874 /nfs/dbraw/zinc/24/28/74/676242874.db2.gz YURJVMYIYKZGBK-OAHLLOKOSA-N 0 3 331.416 2.387 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn(C)c2Cl)N(C)C)cc1 ZINC000891249772 676244556 /nfs/dbraw/zinc/24/45/56/676244556.db2.gz SNUWWTBDCYHLMR-HNNXBMFYSA-N 0 3 349.866 2.172 20 10 EECDHN C[C@@H]1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000891249729 676244559 /nfs/dbraw/zinc/24/45/59/676244559.db2.gz VZQDVNVKJXEJSO-UWWQBHOKSA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CCn2cccc2)N(C)C)cc1 ZINC000891253081 676249043 /nfs/dbraw/zinc/24/90/43/676249043.db2.gz QIEGPBAVVYNWCI-SFHVURJKSA-N 0 3 328.460 2.363 20 10 EECDHN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891255132 676251351 /nfs/dbraw/zinc/25/13/51/676251351.db2.gz NALSABWJDKWADF-SFHVURJKSA-N 0 3 326.444 2.489 20 10 EECDHN CCCC(=O)NC1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891717631 676801398 /nfs/dbraw/zinc/80/13/98/676801398.db2.gz HOLZTFKNYQJRGW-UHFFFAOYSA-N 0 3 336.432 2.290 20 10 EECDHN COc1ccc(N2CCC(N[C@@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000102416433 679782760 /nfs/dbraw/zinc/78/27/60/679782760.db2.gz QXKRKOFUADEUPE-LJQANCHMSA-N 0 3 339.439 2.480 20 10 EECDHN CN(C)CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(=O)[O-] ZINC000904023834 694265892 /nfs/dbraw/zinc/26/58/92/694265892.db2.gz KOLNVDAQOGBUTK-CQSZACIVSA-N 0 3 347.381 2.266 20 10 EECDHN CN(C)[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841619458 1187186546 /nfs/dbraw/zinc/18/65/46/1187186546.db2.gz NHWOKBNIRNHPGQ-SFHVURJKSA-N 0 3 326.444 2.413 20 10 EECDHN O=C1CC[C@@H]2[C@@H](CCN2Cc2ccc(O)cc2O)N1CC(F)(F)F ZINC001272982785 1194291814 /nfs/dbraw/zinc/29/18/14/1194291814.db2.gz KPHJJKJSRNJPLI-CHWSQXEVSA-N 0 3 344.333 2.225 20 10 EECDHN CCOc1ccc(O)c(CNC[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000865683138 1198330857 /nfs/dbraw/zinc/33/08/57/1198330857.db2.gz PJQLOPSOIJNCEH-CYBMUJFWSA-N 0 3 330.310 2.276 20 10 EECDHN COc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1Cn1cccn1 ZINC000873097590 1198499379 /nfs/dbraw/zinc/49/93/79/1198499379.db2.gz SLYWAZRSUGFVIA-OAHLLOKOSA-N 0 3 343.349 2.343 20 10 EECDHN COc1ccc(CNC2COC(C)(C)OC2)cc1Cn1cccn1 ZINC000873103538 1198500816 /nfs/dbraw/zinc/50/08/16/1198500816.db2.gz FULBGJCSJALENH-UHFFFAOYSA-N 0 3 331.416 2.181 20 10 EECDHN Cc1ccc(CNCc2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000877564994 1199967427 /nfs/dbraw/zinc/96/74/27/1199967427.db2.gz RPWZHYARWJVGAN-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000866441301 1201518446 /nfs/dbraw/zinc/51/84/46/1201518446.db2.gz YYWBHIZRQLVEHB-DCAQKATOSA-N 0 3 342.823 2.071 20 10 EECDHN CN1CCN(c2ccc(CN[C@H]3CCCn4ccnc43)cc2)CC1 ZINC000883291001 1202041772 /nfs/dbraw/zinc/04/17/72/1202041772.db2.gz PEKPHSNPXBWFBE-SFHVURJKSA-N 0 3 325.460 2.260 20 10 EECDHN CN1C[C@@]2(CC[N@H+](Cc3ccc(C(C)(C)C)cc3[O-])C2)OCC1=O ZINC001274380985 1205015840 /nfs/dbraw/zinc/01/58/40/1205015840.db2.gz KYRMKBPNBODXNB-LJQANCHMSA-N 0 3 332.444 2.123 20 10 EECDHN CN1C[C@@]2(CC[N@@H+](Cc3ccc(C(C)(C)C)cc3[O-])C2)OCC1=O ZINC001274380985 1205015843 /nfs/dbraw/zinc/01/58/43/1205015843.db2.gz KYRMKBPNBODXNB-LJQANCHMSA-N 0 3 332.444 2.123 20 10 EECDHN CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001275952750 1205600429 /nfs/dbraw/zinc/60/04/29/1205600429.db2.gz LXXBELONFIEAJI-IRXDYDNUSA-N 0 3 342.443 2.163 20 10 EECDHN CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001275952750 1205600430 /nfs/dbraw/zinc/60/04/30/1205600430.db2.gz LXXBELONFIEAJI-IRXDYDNUSA-N 0 3 342.443 2.163 20 10 EECDHN CCO[C@@H]1C[C@](N)(C(=O)NCCCSc2nccs2)C1(C)C ZINC000187778679 1208541031 /nfs/dbraw/zinc/54/10/31/1208541031.db2.gz VUQGSWRNTJDEQZ-ABAIWWIYSA-N 0 3 343.518 2.274 20 10 EECDHN COc1cc(C(=O)N[C@H]2CCCN(CC[C@@H](C)F)C2)cc(OC)n1 ZINC001007791828 1222421195 /nfs/dbraw/zinc/42/11/95/1222421195.db2.gz LRENQMHOMCFRIF-OCCSQVGLSA-N 0 3 339.411 2.041 20 10 EECDHN CN(C)c1ccc([C@H](CN[C@H](C(N)=O)c2ccccc2)N(C)C)cc1 ZINC000901706294 1236188132 /nfs/dbraw/zinc/18/81/32/1236188132.db2.gz KIVQCUXFQMADCB-OALUTQOASA-N 0 3 340.471 2.172 20 10 EECDHN [O-]c1c(Cl)cccc1CN1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001276380235 1249759793 /nfs/dbraw/zinc/75/97/93/1249759793.db2.gz LFJBNXRBNDUNKT-UHFFFAOYSA-N 0 3 332.835 2.477 20 10 EECDHN [O-]c1c(Cl)cccc1CN1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001276380235 1249759807 /nfs/dbraw/zinc/75/98/07/1249759807.db2.gz LFJBNXRBNDUNKT-UHFFFAOYSA-N 0 3 332.835 2.477 20 10 EECDHN [O-]c1c(Cl)cccc1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001276380235 1249759818 /nfs/dbraw/zinc/75/98/18/1249759818.db2.gz LFJBNXRBNDUNKT-UHFFFAOYSA-N 0 3 332.835 2.477 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2c1c(F)ccc2[O-] ZINC000858469050 1294126460 /nfs/dbraw/zinc/12/64/60/1294126460.db2.gz OEBZWWVISJWBLS-XBFCOCLRSA-N 0 3 335.423 2.009 20 10 EECDHN CCc1cccc(CNCC(=O)Nc2ccc3c(c2)OCCO3)c1O ZINC000862536849 1295871601 /nfs/dbraw/zinc/87/16/01/1295871601.db2.gz XMPYOIBVJKANFD-UHFFFAOYSA-N 0 3 342.395 2.454 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCC34CC4)C2)c([O-])c1 ZINC001277456871 1303222373 /nfs/dbraw/zinc/22/23/73/1303222373.db2.gz IRHHXAHFGKFHOB-FOIQADDNSA-N 0 3 342.439 2.378 20 10 EECDHN COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCC34CC4)C2)c([O-])c1 ZINC001277456871 1303222379 /nfs/dbraw/zinc/22/23/79/1303222379.db2.gz IRHHXAHFGKFHOB-FOIQADDNSA-N 0 3 342.439 2.378 20 10 EECDHN COc1cccc(O[C@H]2CCN(Cc3cc(OC)c(O)cc3O)C2)n1 ZINC001231638728 1303875395 /nfs/dbraw/zinc/87/53/95/1303875395.db2.gz BBAVUUYYEBUSKL-ZDUSSCGKSA-N 0 3 346.383 2.163 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC(c2nncn2C)CC1 ZINC001231855418 1303932298 /nfs/dbraw/zinc/93/22/98/1303932298.db2.gz SKXOZJORZKTANH-UHFFFAOYSA-N 0 3 329.448 2.269 20 10 EECDHN NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001277619408 1304015547 /nfs/dbraw/zinc/01/55/47/1304015547.db2.gz ZSSOFXPDUXMLEG-REPLKXPHSA-N 0 3 339.483 2.329 20 10 EECDHN COc1ccc2ccc(O)c(CN3CCN4C(=O)CC[C@@H]4C3)c2c1 ZINC001234562243 1304969249 /nfs/dbraw/zinc/96/92/49/1304969249.db2.gz LFZJJEBTGBWORG-CQSZACIVSA-N 0 3 326.396 2.361 20 10 EECDHN COc1cc([O-])c(CN2CC[NH2+]C(C)(C)C2)c(Br)c1 ZINC001235837601 1305414686 /nfs/dbraw/zinc/41/46/86/1305414686.db2.gz GXERLCLQVWWSKT-UHFFFAOYSA-N 0 3 329.238 2.347 20 10 EECDHN CCN1CCN(Cc2cc(O)c(Br)cc2O)[C@H](C)C1 ZINC001236765732 1305666410 /nfs/dbraw/zinc/66/64/10/1305666410.db2.gz SNRGEMTZXDONTC-SNVBAGLBSA-N 0 3 329.238 2.386 20 10 EECDHN CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237062412 1305782230 /nfs/dbraw/zinc/78/22/30/1305782230.db2.gz NGWSPAZTKAERIL-CYBMUJFWSA-N 0 3 346.349 2.386 20 10 EECDHN CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237062412 1305782239 /nfs/dbraw/zinc/78/22/39/1305782239.db2.gz NGWSPAZTKAERIL-CYBMUJFWSA-N 0 3 346.349 2.386 20 10 EECDHN CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CN[C@](CC)(C(=O)OC)C1 ZINC001246917422 1310466122 /nfs/dbraw/zinc/46/61/22/1310466122.db2.gz CULKEOMSFFGYLA-HKUYNNGSSA-N 0 3 333.476 2.258 20 10 EECDHN Cc1c(O)ccc(CN2CCC[C@@H](NC(=O)c3ccccn3)C2)c1O ZINC001140750273 1314955590 /nfs/dbraw/zinc/95/55/90/1314955590.db2.gz ZZAZHNFSBVOUJW-OAHLLOKOSA-N 0 3 341.411 2.196 20 10 EECDHN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843435422 1315915121 /nfs/dbraw/zinc/91/51/21/1315915121.db2.gz UGYCILOJAKDTIW-SJLPKXTDSA-N 0 3 332.444 2.033 20 10 EECDHN COc1ccc(O)c([C@H](C)NC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000843488996 1315922705 /nfs/dbraw/zinc/92/27/05/1315922705.db2.gz AGVBQRJEQTUADG-LBPRGKRZSA-N 0 3 326.396 2.074 20 10 EECDHN Cc1ncc(CNCCNC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001153037983 1316765147 /nfs/dbraw/zinc/76/51/47/1316765147.db2.gz XSDDPBFUJAVAJT-UHFFFAOYSA-N 0 3 346.416 2.134 20 10 EECDHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)Cc1ccccc1O ZINC001203562720 1321913000 /nfs/dbraw/zinc/91/30/00/1321913000.db2.gz PDIJLLJSTGPGTB-HOCLYGCPSA-N 0 3 336.432 2.458 20 10 EECDHN COc1ccc(CN2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)c(O)c1 ZINC001203621330 1321924333 /nfs/dbraw/zinc/92/43/33/1321924333.db2.gz ANBVPBBSCOTOHD-JCURWCKSSA-N 0 3 345.399 2.444 20 10 EECDHN O=C(c1ccco1)N1CC[C@H]2CN(Cc3ccc(O)cc3O)C[C@H]21 ZINC001204274591 1322100605 /nfs/dbraw/zinc/10/06/05/1322100605.db2.gz QAMCBAXMXNJQAY-SWLSCSKDSA-N 0 3 328.368 2.037 20 10 EECDHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC001308223433 1331574508 /nfs/dbraw/zinc/57/45/08/1331574508.db2.gz YAQIKKYEOUGEIU-ZDUSSCGKSA-N 0 3 343.265 2.009 20 10 EECDHN CO[C@@H]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001337399515 1336695745 /nfs/dbraw/zinc/69/57/45/1336695745.db2.gz HXINCGCXKZHSRA-FGTMMUONSA-N 0 3 333.476 2.287 20 10 EECDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc3cccnc3c2O)C1(C)C ZINC001578090250 1344233511 /nfs/dbraw/zinc/23/35/11/1344233511.db2.gz GKGDKFGFGNBMGW-IFXJQAMLSA-N 0 3 343.427 2.089 20 10 EECDHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CCC(C)(C)C2)cc1C ZINC001755638443 1407698729 /nfs/dbraw/zinc/69/87/29/1407698729.db2.gz VBCZVARBSYPDCR-DLBZAZTESA-N 0 3 348.487 2.397 20 10 EECDHN CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902068 785054683 /nfs/dbraw/zinc/05/46/83/785054683.db2.gz HRIHPIHRWWLJKF-RTBURBONSA-N 0 3 345.487 2.306 20 10 EECDHN CC(C)(C)OC(=O)NCC1(C)CN(Cc2c(O)cc(O)cc2O)C1 ZINC001144516377 789915138 /nfs/dbraw/zinc/91/51/38/789915138.db2.gz WTXCGPBHYDDCIL-UHFFFAOYSA-N 0 3 338.404 2.150 20 10 EECDHN CO[C@@H](C)CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068221 792064704 /nfs/dbraw/zinc/06/47/04/792064704.db2.gz STVSDEHQCYNUHF-ZOWXZIJZSA-N 0 3 347.419 2.077 20 10 EECDHN NS(=O)(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000785986661 806657421 /nfs/dbraw/zinc/65/74/21/806657421.db2.gz WJEMLOXTAPAOPU-UHFFFAOYSA-N 0 3 346.452 2.312 20 10 EECDHN CN(C)c1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1F ZINC000364865324 529780717 /nfs/dbraw/zinc/78/07/17/529780717.db2.gz HQDGYKCPFHZEKC-UHFFFAOYSA-N 0 3 327.403 2.004 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000359977595 201122558 /nfs/dbraw/zinc/12/25/58/201122558.db2.gz XHEMDQXYSDAPMB-CYBMUJFWSA-N 0 3 336.823 2.156 20 10 EECDHN Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCC(=O)N1C ZINC000297224811 465248967 /nfs/dbraw/zinc/24/89/67/465248967.db2.gz HKVIPNOEFXBFIZ-IQUTYRLHSA-N 0 3 340.427 2.065 20 10 EECDHN COc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)ccc1OCC(N)=O ZINC000297598632 465263565 /nfs/dbraw/zinc/26/35/65/465263565.db2.gz HYBATJGLZFWZKV-AWEZNQCLSA-N 0 3 342.395 2.042 20 10 EECDHN Cc1csc(=O)n1CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000120868322 463048960 /nfs/dbraw/zinc/04/89/60/463048960.db2.gz FRPDOXOCNQBMSL-UHFFFAOYSA-N 0 3 347.484 2.187 20 10 EECDHN CCOC1CC(C[NH2+]Cc2cc(C)ccc2[O-])(N2CCOCC2)C1 ZINC000277743220 463930838 /nfs/dbraw/zinc/93/08/38/463930838.db2.gz PZTJZIHJHXBIHU-UHFFFAOYSA-N 0 3 334.460 2.060 20 10 EECDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000269261999 463932319 /nfs/dbraw/zinc/93/23/19/463932319.db2.gz WPVSGFOBTPTMAN-PBFPGSCMSA-N 0 3 337.439 2.039 20 10 EECDHN NC1(C(=O)NCc2ccc(N3CCCC3)cc2)Cc2ccccc2C1 ZINC000178710416 463947790 /nfs/dbraw/zinc/94/77/90/463947790.db2.gz SMGUBDAADHUYHP-UHFFFAOYSA-N 0 3 335.451 2.399 20 10 EECDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278646876 463974080 /nfs/dbraw/zinc/97/40/80/463974080.db2.gz JJEBTJDNDKYOKS-HOCLYGCPSA-N 0 3 335.835 2.295 20 10 EECDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278646876 463974085 /nfs/dbraw/zinc/97/40/85/463974085.db2.gz JJEBTJDNDKYOKS-HOCLYGCPSA-N 0 3 335.835 2.295 20 10 EECDHN COc1ccc(N2CCN(CCCNCc3n[nH]cc3C)CC2)cc1 ZINC000290019023 464105364 /nfs/dbraw/zinc/10/53/64/464105364.db2.gz UYZLVUQBYACVQM-UHFFFAOYSA-N 0 3 343.475 2.029 20 10 EECDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC000175226312 464510103 /nfs/dbraw/zinc/51/01/03/464510103.db2.gz GXCKZODFWVDJJD-PKOBYXMFSA-N 0 3 340.471 2.441 20 10 EECDHN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000294912491 464646129 /nfs/dbraw/zinc/64/61/29/464646129.db2.gz AIFSSPMZZFJNPL-KRWDZBQOSA-N 0 3 348.468 2.477 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000295599181 464897045 /nfs/dbraw/zinc/89/70/45/464897045.db2.gz XDDJWRXDAAAOCI-GOSISDBHSA-N 0 3 347.503 2.194 20 10 EECDHN C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000184288232 464961826 /nfs/dbraw/zinc/96/18/26/464961826.db2.gz NNTXULMHEQKIIS-UTWWPYJBSA-N 0 3 328.453 2.080 20 10 EECDHN COc1cccc(C[NH+]2CCC(CCN3CCOCC3)CC2)c1[O-] ZINC000371416048 465780505 /nfs/dbraw/zinc/78/05/05/465780505.db2.gz IOVUACXRBKJXBK-UHFFFAOYSA-N 0 3 334.460 2.335 20 10 EECDHN Cc1c2ccccc2n(C)c1CNC(=O)c1ccn(CCN(C)C)n1 ZINC000569472187 468496370 /nfs/dbraw/zinc/49/63/70/468496370.db2.gz JQWUCSGVVTULAV-UHFFFAOYSA-N 0 3 339.443 2.175 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c([O-])c1C ZINC000375849449 466880190 /nfs/dbraw/zinc/88/01/90/466880190.db2.gz PTWSWSXTPMQOOU-KSMMKXTCSA-N 0 3 345.443 2.380 20 10 EECDHN COc1cc(O)c(CN[C@@H]2Cc3ccccc3NC2=O)cc1OC ZINC000529669998 467893537 /nfs/dbraw/zinc/89/35/37/467893537.db2.gz ZHWWKPWVISANGP-CQSZACIVSA-N 0 3 328.368 2.062 20 10 EECDHN COc1cccc2c1OC[C@@H]([NH2+]Cc1cc3c(cc1[O-])OCO3)C2 ZINC000728300515 576488970 /nfs/dbraw/zinc/48/89/70/576488970.db2.gz FKJAFXQOLQIISR-ZDUSSCGKSA-N 0 3 329.352 2.223 20 10 EECDHN CC(C)N(CCCS(=O)(=O)N(C)C)Cc1ccc(N(C)C)cc1 ZINC000728688119 576518225 /nfs/dbraw/zinc/51/82/25/576518225.db2.gz IETGBLUBNUEDNV-UHFFFAOYSA-N 0 3 341.521 2.245 20 10 EECDHN CCN1CCC[C@H]1CNC(=S)N[C@@H](C)c1cc(OC)ccc1O ZINC000728792524 576529712 /nfs/dbraw/zinc/52/97/12/576529712.db2.gz LFCQXBADIYBAOS-STQMWFEESA-N 0 3 337.489 2.410 20 10 EECDHN C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000775131319 577430699 /nfs/dbraw/zinc/43/06/99/577430699.db2.gz VKCLURNRECUUPN-STQMWFEESA-N 0 3 331.368 2.211 20 10 EECDHN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775831455 577446801 /nfs/dbraw/zinc/44/68/01/577446801.db2.gz SFYJIAAIHRDDGN-WMLDXEAASA-N 0 3 349.475 2.107 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1OC ZINC000776250356 577455664 /nfs/dbraw/zinc/45/56/64/577455664.db2.gz HDNYJAXJZOGPCH-CQSZACIVSA-N 0 3 337.416 2.227 20 10 EECDHN C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000777219984 577475243 /nfs/dbraw/zinc/47/52/43/577475243.db2.gz OMUWPADDZLLRAF-INIZCTEOSA-N 0 3 346.519 2.173 20 10 EECDHN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765410067 577500462 /nfs/dbraw/zinc/50/04/62/577500462.db2.gz QBJWJVJUISNASB-OAHLLOKOSA-N 0 3 347.484 2.382 20 10 EECDHN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccnc1 ZINC000771387427 577614846 /nfs/dbraw/zinc/61/48/46/577614846.db2.gz DNADWOXKQONPBW-OAHLLOKOSA-N 0 3 345.468 2.167 20 10 EECDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756418318 577843792 /nfs/dbraw/zinc/84/37/92/577843792.db2.gz SNOJAZCZSQTASJ-AAEUAGOBSA-N 0 3 344.452 2.341 20 10 EECDHN COc1ccc(N2CCCN(CCOC[C@H]3CCCO3)CC2)cc1 ZINC000741246067 578115442 /nfs/dbraw/zinc/11/54/42/578115442.db2.gz VDVJQNMELHWFKO-LJQANCHMSA-N 0 3 334.460 2.403 20 10 EECDHN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826210303 608500639 /nfs/dbraw/zinc/50/06/39/608500639.db2.gz MAFUXXRCUDEPSX-LLVKDONJSA-N 0 3 325.372 2.432 20 10 EECDHN CCc1nc[nH]c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245960 676239298 /nfs/dbraw/zinc/23/92/98/676239298.db2.gz KRQSJNJMIIAFTR-MRXNPFEDSA-N 0 3 329.448 2.071 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/[C@@H]2CCOC2)N(C)C)cc1 ZINC000891246232 676239810 /nfs/dbraw/zinc/23/98/10/676239810.db2.gz AYCDKHNENVIBOZ-UVQBYNNYSA-N 0 3 331.460 2.064 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@](C)(O)C2CC2)N(C)C)cc1 ZINC000891253958 676250088 /nfs/dbraw/zinc/25/00/88/676250088.db2.gz VIKYXLRONSJCRF-IEBWSBKVSA-N 0 3 333.476 2.023 20 10 EECDHN COc1cc(C)cc(CNc2cc(C(N)=O)ccc2CN(C)C)c1O ZINC000894131631 681631045 /nfs/dbraw/zinc/63/10/45/681631045.db2.gz SSNFVQAPEINZGE-UHFFFAOYSA-N 0 3 343.427 2.482 20 10 EECDHN CC(C)OCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894174603 682137401 /nfs/dbraw/zinc/13/74/01/682137401.db2.gz LWEFXESXXPNTIK-QGZVFWFLSA-N 0 3 336.480 2.080 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000893054445 683652167 /nfs/dbraw/zinc/65/21/67/683652167.db2.gz XFQOSUWGLFIUKJ-ROUUACIJSA-N 0 3 330.476 2.439 20 10 EECDHN CO[C@@H](C)CN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989767976 692274920 /nfs/dbraw/zinc/27/49/20/692274920.db2.gz RPMCHPRMUUPQHJ-ZDUSSCGKSA-N 0 3 347.419 2.032 20 10 EECDHN COC[C@@]1(CNCc2cc(C)cc(Br)c2[O-])CCC[NH2+]1 ZINC000841067066 693257006 /nfs/dbraw/zinc/25/70/06/693257006.db2.gz JGKQOBQAHKTXJN-HNNXBMFYSA-N 0 3 343.265 2.321 20 10 EECDHN C[C@H](F)CCN1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032218925 1193195531 /nfs/dbraw/zinc/19/55/31/1193195531.db2.gz GJXLQGRDRQZQEZ-NSHDSACASA-N 0 3 335.383 2.259 20 10 EECDHN CC[C@H](C)N1C[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2)OCC1=O ZINC001272916793 1193602705 /nfs/dbraw/zinc/60/27/05/1193602705.db2.gz MMTPNFUBQGXTMX-JXFKEZNVSA-N 0 3 345.487 2.354 20 10 EECDHN O=C1N(Cc2cnoc2)CC[C@]12CCCN2Cc1ccccc1O ZINC001272618682 1190933175 /nfs/dbraw/zinc/93/31/75/1190933175.db2.gz MUIQUAHGJGVRQI-GOSISDBHSA-N 0 3 327.384 2.147 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c([O-])c1 ZINC001272626374 1190938342 /nfs/dbraw/zinc/93/83/42/1190938342.db2.gz WRDXMGXIRBGNQW-KRWDZBQOSA-N 0 3 340.370 2.090 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c([O-])c1 ZINC001272626374 1190938344 /nfs/dbraw/zinc/93/83/44/1190938344.db2.gz WRDXMGXIRBGNQW-KRWDZBQOSA-N 0 3 340.370 2.090 20 10 EECDHN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCN(CCCF)C1 ZINC001033700062 1195092272 /nfs/dbraw/zinc/09/22/72/1195092272.db2.gz TYXLRLDPMSZICP-CQSZACIVSA-N 0 3 335.383 2.355 20 10 EECDHN Cc1ccc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)c([O-])c1 ZINC000877145941 1199869496 /nfs/dbraw/zinc/86/94/96/1199869496.db2.gz MFWAUMZTHLWBFC-HNNXBMFYSA-N 0 3 343.349 2.364 20 10 EECDHN COC[C@](C)(CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000877667909 1200017351 /nfs/dbraw/zinc/01/73/51/1200017351.db2.gz CQIKOKABFWGBIH-IBGZPJMESA-N 0 3 331.412 2.458 20 10 EECDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H](O)C(F)(F)F ZINC000877693928 1200034755 /nfs/dbraw/zinc/03/47/55/1200034755.db2.gz UXYSKNGHKPPNQD-NHYWBVRUSA-N 0 3 332.366 2.049 20 10 EECDHN CC[C@H](C)N1CC[C@@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836939 1205180080 /nfs/dbraw/zinc/18/00/80/1205180080.db2.gz PSNGUSMJGUGSDQ-KPZWWZAWSA-N 0 3 334.416 2.026 20 10 EECDHN CCn1ccnc1CN1CCC2(CN(Cc3ccc(O)cc3O)C2)C1 ZINC001275952937 1205601381 /nfs/dbraw/zinc/60/13/81/1205601381.db2.gz PHSZVNHOHRXTNL-UHFFFAOYSA-N 0 3 342.443 2.022 20 10 EECDHN CC(C)CN1CC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185635 1234073670 /nfs/dbraw/zinc/07/36/70/1234073670.db2.gz QGDQEHIPZIQXOF-KRWDZBQOSA-N 0 3 346.475 2.276 20 10 EECDHN CCCC[C@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185843 1234073820 /nfs/dbraw/zinc/07/38/20/1234073820.db2.gz STTMGTRBFRPOSP-SJORKVTESA-N 0 3 346.475 2.466 20 10 EECDHN C[C@@H](Cn1cncn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000850436676 1277223633 /nfs/dbraw/zinc/22/36/33/1277223633.db2.gz VYBCODPXJNCDPY-BBRMVZONSA-N 0 3 349.866 2.280 20 10 EECDHN COc1ccc(N2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)cc1 ZINC000851629534 1277692047 /nfs/dbraw/zinc/69/20/47/1277692047.db2.gz OHEQVTXGHBNINU-UHFFFAOYSA-N 0 3 329.444 2.005 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852019386 1291957647 /nfs/dbraw/zinc/95/76/47/1291957647.db2.gz XQUSWHLIRHQOHJ-FQEVSTJZSA-N 0 3 342.439 2.367 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852019386 1291957652 /nfs/dbraw/zinc/95/76/52/1291957652.db2.gz XQUSWHLIRHQOHJ-FQEVSTJZSA-N 0 3 342.439 2.367 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1[O-] ZINC000858552965 1294152117 /nfs/dbraw/zinc/15/21/17/1294152117.db2.gz KQWYSHJRDZPHHK-ZWKOPEQDSA-N 0 3 330.222 2.264 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c1[O-] ZINC000862514583 1295863213 /nfs/dbraw/zinc/86/32/13/1295863213.db2.gz RBWALHVKIZEJMV-BXKDBHETSA-N 0 3 348.262 2.128 20 10 EECDHN COc1cc([O-])c(CN2CC3(C2)CC[N@H+](C)C3)cc1Br ZINC001276865708 1299985992 /nfs/dbraw/zinc/98/59/92/1299985992.db2.gz AXPJPIWBBUHSNM-UHFFFAOYSA-N 0 3 341.249 2.301 20 10 EECDHN COc1cc([O-])c(CN2CC3(C2)CC[N@@H+](C)C3)cc1Br ZINC001276865708 1299986000 /nfs/dbraw/zinc/98/60/00/1299986000.db2.gz AXPJPIWBBUHSNM-UHFFFAOYSA-N 0 3 341.249 2.301 20 10 EECDHN CN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2)C1CC(F)(F)C1 ZINC001277446291 1303076345 /nfs/dbraw/zinc/07/63/45/1303076345.db2.gz NHMYCQQDVRZNIV-CXAGYDPISA-N 0 3 336.382 2.470 20 10 EECDHN CN(C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2)C1CC(F)(F)C1 ZINC001277446291 1303076351 /nfs/dbraw/zinc/07/63/51/1303076351.db2.gz NHMYCQQDVRZNIV-CXAGYDPISA-N 0 3 336.382 2.470 20 10 EECDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000798963462 1305124151 /nfs/dbraw/zinc/12/41/51/1305124151.db2.gz FFCVLCAUXQLTLW-SFHVURJKSA-N 0 3 337.416 2.193 20 10 EECDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000798963462 1305124155 /nfs/dbraw/zinc/12/41/55/1305124155.db2.gz FFCVLCAUXQLTLW-SFHVURJKSA-N 0 3 337.416 2.193 20 10 EECDHN COc1ccnc(N2CCN(Cc3c(C)cc(OC)cc3O)CC2)c1 ZINC001236815458 1305687870 /nfs/dbraw/zinc/68/78/70/1305687870.db2.gz LYEQOOQPTQSYFV-UHFFFAOYSA-N 0 3 343.427 2.435 20 10 EECDHN Oc1ccc(Br)cc1CN1CCNC[C@H]1C(F)(F)F ZINC001236976304 1305758695 /nfs/dbraw/zinc/75/86/95/1305758695.db2.gz PEYPGJPITJCHGJ-NSHDSACASA-N 0 3 339.155 2.491 20 10 EECDHN COc1cc([O-])c(CN2CC([NH+]3CCCC3)C2)c(Br)c1 ZINC001237073003 1305788711 /nfs/dbraw/zinc/78/87/11/1305788711.db2.gz MWWFZQYNCVOVTI-UHFFFAOYSA-N 0 3 341.249 2.443 20 10 EECDHN CCOCCN(CCOCC)Cc1cc(OC)cc(OC)c1O ZINC001237677725 1306042406 /nfs/dbraw/zinc/04/24/06/1306042406.db2.gz HNPVSYBAVGDKAK-UHFFFAOYSA-N 0 3 327.421 2.284 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@@H](N)C3CCCCC3)CC2)cc1 ZINC001118270236 1306328256 /nfs/dbraw/zinc/32/82/56/1306328256.db2.gz ZGUYFCLHVNJPKY-SFHVURJKSA-N 0 3 331.460 2.251 20 10 EECDHN CCN1CCN(c2ccc(CN3CCCC(=O)[C@H](F)C3)cc2)CC1 ZINC001140302028 1314860724 /nfs/dbraw/zinc/86/07/24/1314860724.db2.gz HSOHVJBCAGEEKI-GOSISDBHSA-N 0 3 333.451 2.332 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC001249201189 1317021258 /nfs/dbraw/zinc/02/12/58/1317021258.db2.gz JPPUDUPVQJMCAV-QGZVFWFLSA-N 0 3 342.395 2.156 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC001249201189 1317021267 /nfs/dbraw/zinc/02/12/67/1317021267.db2.gz JPPUDUPVQJMCAV-QGZVFWFLSA-N 0 3 342.395 2.156 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@](C)(CO)[C@@H](O)C3)ccc2O1 ZINC001249224009 1317027464 /nfs/dbraw/zinc/02/74/64/1317027464.db2.gz QTTKOQWVUFZAJI-LPHOPBHVSA-N 0 3 333.428 2.142 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@](C)(CO)[C@@H](O)C3)ccc2O1 ZINC001249224009 1317027471 /nfs/dbraw/zinc/02/74/71/1317027471.db2.gz QTTKOQWVUFZAJI-LPHOPBHVSA-N 0 3 333.428 2.142 20 10 EECDHN C[C@@H](CS(=O)(=O)c1ccccc1)NCCc1ccc(O)c(O)c1 ZINC001255801887 1318539373 /nfs/dbraw/zinc/53/93/73/1318539373.db2.gz YANIVHZXKUJUEX-ZDUSSCGKSA-N 0 3 335.425 2.092 20 10 EECDHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccc2[O-])n1 ZINC001203551483 1321910284 /nfs/dbraw/zinc/91/02/84/1321910284.db2.gz FJNGWKIQKKCRFD-ZWKOTPCHSA-N 0 3 337.423 2.471 20 10 EECDHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccc2[O-])n1 ZINC001203551483 1321910288 /nfs/dbraw/zinc/91/02/88/1321910288.db2.gz FJNGWKIQKKCRFD-ZWKOTPCHSA-N 0 3 337.423 2.471 20 10 EECDHN COc1cccc(CN2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)c1O ZINC001203591564 1321918500 /nfs/dbraw/zinc/91/85/00/1321918500.db2.gz JCTLAUSCUCTQRY-APHBMKBZSA-N 0 3 345.399 2.444 20 10 EECDHN Oc1ccc(CN2CCC3(C[C@@H](c4cncnc4)CO3)CC2)cc1O ZINC001203877732 1321980353 /nfs/dbraw/zinc/98/03/53/1321980353.db2.gz HYRSLRYMWGWSHV-OAHLLOKOSA-N 0 3 341.411 2.427 20 10 EECDHN COc1cc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)cc(O)c1O ZINC001204347911 1322123362 /nfs/dbraw/zinc/12/33/62/1322123362.db2.gz CQYWLEDFRLBMJE-JKSUJKDBSA-N 0 3 329.396 2.284 20 10 EECDHN COc1ccc(N(C)CCN(C)CCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001307897294 1331554825 /nfs/dbraw/zinc/55/48/25/1331554825.db2.gz MLIYRDYDTUKQPQ-IAGOWNOFSA-N 0 3 335.492 2.172 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@H](N)C3CCCCC3)CC2)cc1F ZINC001328594782 1334485921 /nfs/dbraw/zinc/48/59/21/1334485921.db2.gz ZYSXHXDLVDKPTB-GOSISDBHSA-N 0 3 349.450 2.391 20 10 EECDHN CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1cccc(=O)[nH]1 ZINC001333874269 1336159268 /nfs/dbraw/zinc/15/92/68/1336159268.db2.gz URJZEYGYLDWKTP-UHFFFAOYSA-N 0 3 344.434 2.310 20 10 EECDHN CCCc1n[nH]cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336624806 1336572237 /nfs/dbraw/zinc/57/22/37/1336572237.db2.gz PYZDQGDRRIBNHA-GOSISDBHSA-N 0 3 343.475 2.461 20 10 EECDHN CCc1nn(C)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001351906186 1337865906 /nfs/dbraw/zinc/86/59/06/1337865906.db2.gz ROJRLBIYMSXSJT-GOSISDBHSA-N 0 3 343.475 2.081 20 10 EECDHN CN1CCCC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC001123656880 1372168351 /nfs/dbraw/zinc/16/83/51/1372168351.db2.gz XNMJUNDYRNQYQT-LBPRGKRZSA-N 0 3 328.507 2.409 20 10 EECDHN Cc1ccc(CN2CCN(Cc3ccccc3)[C@H](CO)C2)c(O)c1 ZINC001140948676 1372724994 /nfs/dbraw/zinc/72/49/94/1372724994.db2.gz VGYMAUCOWNJPGK-IBGZPJMESA-N 0 3 326.440 2.379 20 10 EECDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000819822713 785698690 /nfs/dbraw/zinc/69/86/90/785698690.db2.gz BWTJIFHFENSTJU-KRWDZBQOSA-N 0 3 343.471 2.363 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)C[C@H]2CCCOC2)cc1 ZINC000107800179 529780020 /nfs/dbraw/zinc/78/00/20/529780020.db2.gz ORPNDIPGBGEXOK-QGZVFWFLSA-N 0 3 333.476 2.069 20 10 EECDHN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N(C)C)cc1 ZINC000090116312 533521094 /nfs/dbraw/zinc/52/10/94/533521094.db2.gz ZACKWVMVUWPYKT-RHSMWYFYSA-N 0 3 341.459 2.332 20 10 EECDHN CCOc1cccc(CNCc2ccc(S(C)(=O)=O)cc2)c1O ZINC000066870141 462939106 /nfs/dbraw/zinc/93/91/06/462939106.db2.gz XJQRODLEIYAMJU-UHFFFAOYSA-N 0 3 335.425 2.484 20 10 EECDHN Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccccc2[O-])c(C)s1 ZINC000158402900 463232557 /nfs/dbraw/zinc/23/25/57/463232557.db2.gz CWIQGUFCGKXPAS-UHFFFAOYSA-N 0 3 340.470 2.139 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000194454360 463865961 /nfs/dbraw/zinc/86/59/61/463865961.db2.gz QMUNGCKARGGRBE-CYBMUJFWSA-N 0 3 334.441 2.241 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c([O-])c1 ZINC000186082310 463933491 /nfs/dbraw/zinc/93/34/91/463933491.db2.gz QCTLIPIHHOXDNE-DZGCQCFKSA-N 0 3 328.416 2.280 20 10 EECDHN CN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1COC[C@H]1O ZINC000289570224 464085544 /nfs/dbraw/zinc/08/55/44/464085544.db2.gz JMAPHEKSYMAZIW-IEBWSBKVSA-N 0 3 329.396 2.163 20 10 EECDHN COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccccc2[O-])cc1OC ZINC000289880591 464099362 /nfs/dbraw/zinc/09/93/62/464099362.db2.gz RVFMGGSVGLNVLD-IBGZPJMESA-N 0 3 331.412 2.493 20 10 EECDHN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000271596120 464339562 /nfs/dbraw/zinc/33/95/62/464339562.db2.gz YWXALHSDENEQFK-IUODEOHRSA-N 0 3 332.366 2.487 20 10 EECDHN C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273361876 464712428 /nfs/dbraw/zinc/71/24/28/464712428.db2.gz AOCFMFFIFYQESF-UONOGXRCSA-N 0 3 349.431 2.452 20 10 EECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])[C@]12CCCO2 ZINC000273700806 464724776 /nfs/dbraw/zinc/72/47/76/464724776.db2.gz DBSREFORJPWGBU-RCCFBDPRSA-N 0 3 337.416 2.226 20 10 EECDHN C[C@@H](NCC(=O)N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000183359470 464855777 /nfs/dbraw/zinc/85/57/77/464855777.db2.gz ZQSBKUFVUABEDL-MRXNPFEDSA-N 0 3 331.460 2.186 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1COCCN1 ZINC000530181894 467959369 /nfs/dbraw/zinc/95/93/69/467959369.db2.gz PSPPKUFWANUHBJ-KRWDZBQOSA-N 0 3 328.412 2.049 20 10 EECDHN Cc1cc(NC(=O)CCNCc2c(C)c3ccccc3n2C)no1 ZINC000574803374 469280425 /nfs/dbraw/zinc/28/04/25/469280425.db2.gz GVBZUOGKHCYYHK-UHFFFAOYSA-N 0 3 326.400 2.902 20 10 EECDHN CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000109769715 527020304 /nfs/dbraw/zinc/02/03/04/527020304.db2.gz FBFDOMQPOKJURD-QGZVFWFLSA-N 0 3 344.411 2.222 20 10 EECDHN CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000109769715 527020309 /nfs/dbraw/zinc/02/03/09/527020309.db2.gz FBFDOMQPOKJURD-QGZVFWFLSA-N 0 3 344.411 2.222 20 10 EECDHN O=C(NC1CC1)N[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000760548262 577665371 /nfs/dbraw/zinc/66/53/71/577665371.db2.gz DUSPSJALTXCXIZ-KRWDZBQOSA-N 0 3 329.444 2.307 20 10 EECDHN CC(C)NCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000753554406 577789869 /nfs/dbraw/zinc/78/98/69/577789869.db2.gz PTIHHWISJWTYLS-GOSISDBHSA-N 0 3 333.476 2.258 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)CC2CC2)c2c1c(F)ccc2[O-] ZINC000756758086 577849800 /nfs/dbraw/zinc/84/98/00/577849800.db2.gz GVIHMOZHZQBGJH-MFKMUULPSA-N 0 3 327.421 2.494 20 10 EECDHN Cc1[nH]nc(Cl)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245454 676239649 /nfs/dbraw/zinc/23/96/49/676239649.db2.gz FIWLRXABBFGHEI-AWEZNQCLSA-N 0 3 349.866 2.470 20 10 EECDHN Cc1cnccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247368 676241726 /nfs/dbraw/zinc/24/17/26/676241726.db2.gz JNVDKOQSHDPPKM-SFHVURJKSA-N 0 3 326.444 2.489 20 10 EECDHN COC[C@H](C)[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247762 676243123 /nfs/dbraw/zinc/24/31/23/676243123.db2.gz KEJLWXXQKZHRMK-HDMKZQKVSA-N 0 3 335.492 2.390 20 10 EECDHN CN(C)c1ccc([C@H](C[N-]C(=O)C(F)(F)C(F)F)[NH+](C)C)cc1 ZINC000891251548 676247938 /nfs/dbraw/zinc/24/79/38/676247938.db2.gz GNNJEZNWSGOWFJ-LBPRGKRZSA-N 0 3 335.345 2.372 20 10 EECDHN COCCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891252717 676248409 /nfs/dbraw/zinc/24/84/09/676248409.db2.gz NAAGKEXMNZBNRR-QGZVFWFLSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CCCn2ccnc2)N(C)C)cc1 ZINC000891252804 676248958 /nfs/dbraw/zinc/24/89/58/676248958.db2.gz NWXCBTKGVOSYEF-GOSISDBHSA-N 0 3 343.475 2.148 20 10 EECDHN CCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891253498 676249786 /nfs/dbraw/zinc/24/97/86/676249786.db2.gz SXOCTPDMMGHBKP-QGZVFWFLSA-N 0 3 329.448 2.002 20 10 EECDHN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CN(CCCF)C1 ZINC000970955340 676268691 /nfs/dbraw/zinc/26/86/91/676268691.db2.gz UYBQBUGPBMRKEU-LLVKDONJSA-N 0 3 335.383 2.259 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCCc2ccco2)N(C)C)cc1 ZINC000891561192 676699320 /nfs/dbraw/zinc/69/93/20/676699320.db2.gz JXYPFHTXCMPKEP-SFHVURJKSA-N 0 3 344.459 2.490 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cscn2)N(C)C)cc1 ZINC000892521168 681512964 /nfs/dbraw/zinc/51/29/64/681512964.db2.gz LFVHQIRQKISAQU-MRXNPFEDSA-N 0 3 347.488 2.311 20 10 EECDHN CSCCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899724326 693847373 /nfs/dbraw/zinc/84/73/73/693847373.db2.gz MRGVZSDHOKOIAD-HNNXBMFYSA-N 0 3 340.562 2.182 20 10 EECDHN COc1ccc(CN(CCO)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000895711706 684693931 /nfs/dbraw/zinc/69/39/31/684693931.db2.gz UVPVDQOPQMIMDQ-UHFFFAOYSA-N 0 3 347.411 2.413 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C)C[C@H]1C)cc2=O ZINC000265816619 692548875 /nfs/dbraw/zinc/54/88/75/692548875.db2.gz GZYVQBDAPKYIOY-VXGBXAGGSA-N 0 3 332.404 2.232 20 10 EECDHN C[C@@H]1[C@H](C)OCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101326 693605673 /nfs/dbraw/zinc/60/56/73/693605673.db2.gz IWZBSYPZZYQNPS-RVKKMQEKSA-N 0 3 348.491 2.174 20 10 EECDHN CC[C@@H]1COCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101356 693606341 /nfs/dbraw/zinc/60/63/41/693606341.db2.gz JPDAUYIXWGPOMF-SJLPKXTDSA-N 0 3 348.491 2.176 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCSCC2)N(C)C)cc1 ZINC000899103198 693607048 /nfs/dbraw/zinc/60/70/48/693607048.db2.gz XLJVGFDLTKIBPR-MRXNPFEDSA-N 0 3 336.505 2.114 20 10 EECDHN O=C1N(Cc2ccncc2)CC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618247 1190933205 /nfs/dbraw/zinc/93/32/05/1190933205.db2.gz DKFHIAQNFWVJSZ-HXUWFJFHSA-N 0 3 337.423 2.412 20 10 EECDHN O=C1N(Cc2ccncc2)CC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618247 1190933207 /nfs/dbraw/zinc/93/32/07/1190933207.db2.gz DKFHIAQNFWVJSZ-HXUWFJFHSA-N 0 3 337.423 2.412 20 10 EECDHN O=C1C[C@@]2(CN1C1CCCC1)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618468 1190933214 /nfs/dbraw/zinc/93/32/14/1190933214.db2.gz IWJLZMHGRQBTDH-HXUWFJFHSA-N 0 3 344.455 2.386 20 10 EECDHN O=C1C[C@@]2(CN1C1CCCC1)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618468 1190933216 /nfs/dbraw/zinc/93/32/16/1190933216.db2.gz IWJLZMHGRQBTDH-HXUWFJFHSA-N 0 3 344.455 2.386 20 10 EECDHN CCCCN1C[C@@]2(CCN(Cc3cccc(OC)c3O)C2)OCC1=O ZINC001272626450 1190938176 /nfs/dbraw/zinc/93/81/76/1190938176.db2.gz XMIKZYOWTLYOTF-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN O=C1N(C2CCCC2)CC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272982404 1194290829 /nfs/dbraw/zinc/29/08/29/1194290829.db2.gz IEBREOGQBZOCPU-LJQANCHMSA-N 0 3 330.428 2.465 20 10 EECDHN O=C1N(C2CCCC2)CC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272982404 1194290834 /nfs/dbraw/zinc/29/08/34/1194290834.db2.gz IEBREOGQBZOCPU-LJQANCHMSA-N 0 3 330.428 2.465 20 10 EECDHN CC[C@@H](C)N1CC[C@]2(CCN(Cc3cc(O)c(O)c(OC)c3)C2)C1=O ZINC001272987418 1194295897 /nfs/dbraw/zinc/29/58/97/1194295897.db2.gz BFZIBJWZADCGIV-YJYMSZOUSA-N 0 3 348.443 2.329 20 10 EECDHN O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273285066 1197954385 /nfs/dbraw/zinc/95/43/85/1197954385.db2.gz NHSPNNIHDJHXSF-INIZCTEOSA-N 0 3 328.334 2.221 20 10 EECDHN O=C1N(CC(F)F)CC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273285066 1197954393 /nfs/dbraw/zinc/95/43/93/1197954393.db2.gz NHSPNNIHDJHXSF-INIZCTEOSA-N 0 3 328.334 2.221 20 10 EECDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2[O-])N1Cc1cnoc1 ZINC001273285900 1197955568 /nfs/dbraw/zinc/95/55/68/1197955568.db2.gz WNUKWGIXTCZLBM-HZPDHXFCSA-N 0 3 345.374 2.285 20 10 EECDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2[O-])N1Cc1cnoc1 ZINC001273285900 1197955574 /nfs/dbraw/zinc/95/55/74/1197955574.db2.gz WNUKWGIXTCZLBM-HZPDHXFCSA-N 0 3 345.374 2.285 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000877038191 1199850912 /nfs/dbraw/zinc/85/09/12/1199850912.db2.gz JLZGHOPUUDINOS-UHFFFAOYSA-N 0 3 348.415 2.055 20 10 EECDHN COC(=O)C1(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])CCCCC1 ZINC000879648480 1201193746 /nfs/dbraw/zinc/19/37/46/1201193746.db2.gz QUZUNHXWBRQENM-CYBMUJFWSA-N 0 3 334.416 2.035 20 10 EECDHN O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2[O-])C3)[nH]1 ZINC001275267252 1205294269 /nfs/dbraw/zinc/29/42/69/1205294269.db2.gz LMEFLBDJOWHZSL-PBHICJAKSA-N 0 3 325.412 2.199 20 10 EECDHN O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2[O-])C3)[nH]1 ZINC001275267252 1205294271 /nfs/dbraw/zinc/29/42/71/1205294271.db2.gz LMEFLBDJOWHZSL-PBHICJAKSA-N 0 3 325.412 2.199 20 10 EECDHN CCn1nccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000930707383 1206577110 /nfs/dbraw/zinc/57/71/10/1206577110.db2.gz XFIZSEWEKHNBHH-INIZCTEOSA-N 0 3 344.463 2.393 20 10 EECDHN CCCC[C@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185841 1234073906 /nfs/dbraw/zinc/07/39/06/1234073906.db2.gz STTMGTRBFRPOSP-IAGOWNOFSA-N 0 3 346.475 2.466 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cncc(Cl)n2)N(C)C)cc1 ZINC000900861987 1234921482 /nfs/dbraw/zinc/92/14/82/1234921482.db2.gz GXSIEDXOECIRGN-HNNXBMFYSA-N 0 3 347.850 2.229 20 10 EECDHN [O-]c1cccc(Br)c1CN1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001236974372 1305757969 /nfs/dbraw/zinc/75/79/69/1305757969.db2.gz CKNSOIXIDQJZCX-LLVKDONJSA-N 0 3 339.155 2.491 20 10 EECDHN CCOC(=O)[C@H]1CNCCN1Cc1cccc(-c2ccccc2)c1O ZINC001222081635 1299331577 /nfs/dbraw/zinc/33/15/77/1299331577.db2.gz ZEFLXRQQGGINTD-GOSISDBHSA-N 0 3 340.423 2.396 20 10 EECDHN CCN(CC)c1ccc(CN2CC3(C2)SCC[C@H]3C(N)=O)c(O)c1 ZINC001277534209 1303849866 /nfs/dbraw/zinc/84/98/66/1303849866.db2.gz RSOKPRGWEDFJMZ-HNNXBMFYSA-N 0 3 349.500 2.031 20 10 EECDHN O=C1COCCN1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231590016 1303858057 /nfs/dbraw/zinc/85/80/57/1303858057.db2.gz YRBBUPQUVPHJTB-UHFFFAOYSA-N 0 3 340.423 2.369 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3ncccc3OC)C2)c(O)cc1O ZINC001231641050 1303877545 /nfs/dbraw/zinc/87/75/45/1303877545.db2.gz YEZZQDJFLQHYEZ-ZDUSSCGKSA-N 0 3 346.383 2.163 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC3(CC[C@H](C(N)=O)C3)CC2)c(OC)c1 ZINC001277588603 1303949567 /nfs/dbraw/zinc/94/95/67/1303949567.db2.gz OASDNZPZXJYBAY-ZDUSSCGKSA-N 0 3 348.443 2.277 20 10 EECDHN C[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1[O-] ZINC001236421219 1305575631 /nfs/dbraw/zinc/57/56/31/1305575631.db2.gz DZQOCCKEGYFDBK-GFCCVEGCSA-N 0 3 346.212 2.181 20 10 EECDHN CN1CCN(CC[N@H+](C)Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236799506 1305679331 /nfs/dbraw/zinc/67/93/31/1305679331.db2.gz OYFITGPVQSVDKW-UHFFFAOYSA-N 0 3 332.275 2.378 20 10 EECDHN CN1CCN(CC[N@@H+](C)Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236799506 1305679336 /nfs/dbraw/zinc/67/93/36/1305679336.db2.gz OYFITGPVQSVDKW-UHFFFAOYSA-N 0 3 332.275 2.378 20 10 EECDHN CCOC(=O)[C@H]1CN(Cc2c(C)cc(OC)cc2O)CCS1 ZINC001236821815 1305689242 /nfs/dbraw/zinc/68/92/42/1305689242.db2.gz UJSSNWFYNUFTPX-OAHLLOKOSA-N 0 3 325.430 2.190 20 10 EECDHN COCCN1C[C@@H]2C[N@H+](Cc3ccc(C(C)C)cc3[O-])C[C@@H]2C1=O ZINC001237047653 1305776686 /nfs/dbraw/zinc/77/66/86/1305776686.db2.gz DIBVMSDVCJVQAU-IRXDYDNUSA-N 0 3 332.444 2.052 20 10 EECDHN COCCN1C[C@@H]2C[N@@H+](Cc3ccc(C(C)C)cc3[O-])C[C@@H]2C1=O ZINC001237047653 1305776692 /nfs/dbraw/zinc/77/66/92/1305776692.db2.gz DIBVMSDVCJVQAU-IRXDYDNUSA-N 0 3 332.444 2.052 20 10 EECDHN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c1[O-] ZINC001238061555 1306204728 /nfs/dbraw/zinc/20/47/28/1306204728.db2.gz OGAUQOLSUVDOFP-SFHVURJKSA-N 0 3 328.391 2.485 20 10 EECDHN Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)c1[O-] ZINC001238061555 1306204734 /nfs/dbraw/zinc/20/47/34/1306204734.db2.gz OGAUQOLSUVDOFP-SFHVURJKSA-N 0 3 328.391 2.485 20 10 EECDHN Oc1ccc(/C=C/c2nc(-c3ccc4c(n3)CCNC4)no2)cc1O ZINC001247982014 1310809127 /nfs/dbraw/zinc/80/91/27/1310809127.db2.gz LYXASVHGDSRRPE-QHHAFSJGSA-N 0 3 336.351 2.359 20 10 EECDHN COCC(=O)N[C@@H]1CCCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116487 1315867581 /nfs/dbraw/zinc/86/75/81/1315867581.db2.gz DRGACDXFXUMPHR-OAHLLOKOSA-N 0 3 334.460 2.417 20 10 EECDHN COc1ccc(C[N@@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001203621353 1321924303 /nfs/dbraw/zinc/92/43/03/1321924303.db2.gz BFXZCSWNGFUBJE-MIFYACCESA-N 0 3 334.416 2.356 20 10 EECDHN COc1ccc(C[N@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c([O-])c1 ZINC001203621353 1321924305 /nfs/dbraw/zinc/92/43/05/1321924305.db2.gz BFXZCSWNGFUBJE-MIFYACCESA-N 0 3 334.416 2.356 20 10 EECDHN O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273009 1322099524 /nfs/dbraw/zinc/09/95/24/1322099524.db2.gz IYTLONRPSXLTEP-YLJYHZDGSA-N 0 3 338.407 2.204 20 10 EECDHN O=C1NC[C@H](c2ccccc2)[C@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273009 1322099530 /nfs/dbraw/zinc/09/95/30/1322099530.db2.gz IYTLONRPSXLTEP-YLJYHZDGSA-N 0 3 338.407 2.204 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCCOCC2)N(C)C)cc1 ZINC001262369562 1322289588 /nfs/dbraw/zinc/28/95/88/1322289588.db2.gz IQCILDSOMRFMBU-FUHWJXTLSA-N 0 3 348.491 2.224 20 10 EECDHN COc1ccc(O)c(CNCc2cc(=O)n(-c3ccccc3)n2C)c1 ZINC001308967254 1331610529 /nfs/dbraw/zinc/61/05/29/1331610529.db2.gz MFAOQWYOUPOLKS-UHFFFAOYSA-N 0 3 339.395 2.180 20 10 EECDHN Nc1ccc(CN[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 ZINC001337838566 1336742966 /nfs/dbraw/zinc/74/29/66/1336742966.db2.gz PHUIJUAPLBYAIX-QGZVFWFLSA-N 0 3 325.412 2.038 20 10 EECDHN Nc1ccc(CN[C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 ZINC001337838565 1336743013 /nfs/dbraw/zinc/74/30/13/1336743013.db2.gz PHUIJUAPLBYAIX-KRWDZBQOSA-N 0 3 325.412 2.038 20 10 EECDHN CCc1cccc(C[NH2+]C[C@]([O-])(c2nccn2C)C(F)(F)F)c1O ZINC000848901339 1338800271 /nfs/dbraw/zinc/80/02/71/1338800271.db2.gz XZKONAKEEITPOR-HNNXBMFYSA-N 0 3 343.349 2.228 20 10 EECDHN CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590463705 1349340564 /nfs/dbraw/zinc/34/05/64/1349340564.db2.gz LAQHXZCMEROTGM-OAHLLOKOSA-N 0 3 344.463 2.345 20 10 EECDHN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2c1CCNC2 ZINC000852860685 1369308992 /nfs/dbraw/zinc/30/89/92/1369308992.db2.gz IFTMUSBXCBLGEG-UHFFFAOYSA-N 0 3 337.423 2.421 20 10 EECDHN COc1ccc(O)c(CNC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000114591128 1369419038 /nfs/dbraw/zinc/41/90/38/1369419038.db2.gz YWVXYZVDKMQACC-UHFFFAOYSA-N 0 3 343.427 2.332 20 10 EECDHN COc1ccc(CN[C@@]2(CO)CCCN(C(=O)C=C(C)C)C2)cc1C ZINC001755080241 1407092863 /nfs/dbraw/zinc/09/28/63/1407092863.db2.gz AWGAZHCJUUKSHD-FQEVSTJZSA-N 0 3 346.471 2.413 20 10 EECDHN CC[C@@H]([NH2+]C[C@H]1CNCCO1)c1cc(Br)ccc1[O-] ZINC000817982396 785130825 /nfs/dbraw/zinc/13/08/25/785130825.db2.gz DFDXCOVBUGGERI-DGCLKSJQSA-N 0 3 329.238 2.184 20 10 EECDHN C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000817982091 785131579 /nfs/dbraw/zinc/13/15/79/785131579.db2.gz PLHGZGNRSBSEHT-KOLCDFICSA-N 0 3 347.228 2.323 20 10 EECDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000846442797 790185442 /nfs/dbraw/zinc/18/54/42/790185442.db2.gz YBIMJIBUDVPMTD-SFHVURJKSA-N 0 3 331.460 2.217 20 10 EECDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000785539400 806511151 /nfs/dbraw/zinc/51/11/51/806511151.db2.gz AMTBKCAKKPSCSP-GPMSIDNRSA-N 0 3 347.503 2.192 20 10 EECDHN COc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826210156 947613128 /nfs/dbraw/zinc/61/31/28/947613128.db2.gz GXFWJUCJUOIISU-NSHDSACASA-N 0 3 325.372 2.432 20 10 EECDHN CC[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000090799148 529621266 /nfs/dbraw/zinc/62/12/66/529621266.db2.gz BIBDRCZTAYVNKQ-SJORKVTESA-N 0 3 339.505 2.217 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)C[C@H](C)C1)cc2=O ZINC000047274559 462763435 /nfs/dbraw/zinc/76/34/35/462763435.db2.gz OLPOZQAFVUFFPD-RYUDHWBXSA-N 0 3 332.404 2.090 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)C[C@H](C)C1)cc2=O ZINC000047274558 462764328 /nfs/dbraw/zinc/76/43/28/462764328.db2.gz OLPOZQAFVUFFPD-TXEJJXNPSA-N 0 3 332.404 2.090 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](CC)C1)cc2=O ZINC000052644345 463097887 /nfs/dbraw/zinc/09/78/87/463097887.db2.gz GGYGHUPAJGKEOD-GFCCVEGCSA-N 0 3 332.404 2.234 20 10 EECDHN COC(=O)c1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c[nH]1 ZINC000121318053 463116715 /nfs/dbraw/zinc/11/67/15/463116715.db2.gz VEXCWQMIIQGOHQ-UHFFFAOYSA-N 0 3 343.427 2.270 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(CC)CC1)cc2=O ZINC000053382175 463156389 /nfs/dbraw/zinc/15/63/89/463156389.db2.gz KVZBIHPDOOXGHL-UHFFFAOYSA-N 0 3 332.404 2.234 20 10 EECDHN COc1cc(Br)cc(CN2CC[C@H]([NH3+])C[C@H]2C)c1[O-] ZINC000097095758 463321780 /nfs/dbraw/zinc/32/17/80/463321780.db2.gz UBPAARONCGZSRS-SKDRFNHKSA-N 0 3 329.238 2.475 20 10 EECDHN CC(C)NC(=O)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000177865979 463805587 /nfs/dbraw/zinc/80/55/87/463805587.db2.gz RCLOZNPPDXCKMM-CQSZACIVSA-N 0 3 337.439 2.228 20 10 EECDHN Cc1cc(Br)cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[O-] ZINC000194542980 463881388 /nfs/dbraw/zinc/88/13/88/463881388.db2.gz IONLNSBLUPZYRM-BETUJISGSA-N 0 3 325.250 2.457 20 10 EECDHN Cc1cc(Br)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[O-] ZINC000194542980 463881393 /nfs/dbraw/zinc/88/13/93/463881393.db2.gz IONLNSBLUPZYRM-BETUJISGSA-N 0 3 325.250 2.457 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c([O-])c1 ZINC000186082298 463933649 /nfs/dbraw/zinc/93/36/49/463933649.db2.gz QCTLIPIHHOXDNE-UKRRQHHQSA-N 0 3 328.416 2.280 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]CCCCCS(C)(=O)=O)c1[O-] ZINC000187693549 464151480 /nfs/dbraw/zinc/15/14/80/464151480.db2.gz FSEKROIZPQVDJO-UHFFFAOYSA-N 0 3 335.853 2.359 20 10 EECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCN1CCN(CC)CC1 ZINC000263696174 464157179 /nfs/dbraw/zinc/15/71/79/464157179.db2.gz RIEYEKPHNHGWQF-UHFFFAOYSA-N 0 3 346.519 2.129 20 10 EECDHN CCN(CC)c1ccc(CN2CCC(C(=O)NCCCO)CC2)cc1 ZINC000271049066 464277409 /nfs/dbraw/zinc/27/74/09/464277409.db2.gz OAHNCPICCKWVBN-UHFFFAOYSA-N 0 3 347.503 2.243 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1OC ZINC000271724880 464369839 /nfs/dbraw/zinc/36/98/39/464369839.db2.gz LBCJPQCYNMLDIA-UHFFFAOYSA-N 0 3 337.416 2.384 20 10 EECDHN COc1cc(O)c(CN2CCC(C3(C)OCCO3)CC2)cc1OC ZINC000271724880 464369843 /nfs/dbraw/zinc/36/98/43/464369843.db2.gz LBCJPQCYNMLDIA-UHFFFAOYSA-N 0 3 337.416 2.384 20 10 EECDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCN1CCCCC1 ZINC000264672156 464417238 /nfs/dbraw/zinc/41/72/38/464417238.db2.gz WWKGIKLQAYTDMM-RMKNXTFCSA-N 0 3 343.471 2.139 20 10 EECDHN Cc1cccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1[O-] ZINC000293742110 464418799 /nfs/dbraw/zinc/41/87/99/464418799.db2.gz VYQGSVQVBFBQQS-LJQANCHMSA-N 0 3 326.440 2.209 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc2c(cc1[O-])CCCC2 ZINC000273360965 464711983 /nfs/dbraw/zinc/71/19/83/464711983.db2.gz AGLQDWKCABIICZ-RDTXWAMCSA-N 0 3 345.487 2.261 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c([O-])c1 ZINC000273621921 464722587 /nfs/dbraw/zinc/72/25/87/464722587.db2.gz ZKLHRVIZJIBPJG-DOTOQJQBSA-N 0 3 333.476 2.294 20 10 EECDHN CCN1CCN(c2ccc(CNCC3=CCCOC3)cc2F)CC1 ZINC000176835569 464862780 /nfs/dbraw/zinc/86/27/80/464862780.db2.gz AISYTTHTEZKORW-UHFFFAOYSA-N 0 3 333.451 2.404 20 10 EECDHN C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1[O-] ZINC000183602339 464885052 /nfs/dbraw/zinc/88/50/52/464885052.db2.gz BIIKZICJKSMINB-NSHDSACASA-N 0 3 348.415 2.307 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c([O-])c1C ZINC000359958884 465511094 /nfs/dbraw/zinc/51/10/94/465511094.db2.gz LGKJJYNUQUQYFW-MSOLQXFVSA-N 0 3 347.503 2.066 20 10 EECDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 ZINC000775368674 577436023 /nfs/dbraw/zinc/43/60/23/577436023.db2.gz DMQVICMYGSLDNX-ZYHUDNBSSA-N 0 3 346.431 2.429 20 10 EECDHN CO[C@]1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CCOC1 ZINC000764682745 577486654 /nfs/dbraw/zinc/48/66/54/577486654.db2.gz LMOFDLKURUKTNZ-AWEZNQCLSA-N 0 3 330.222 2.358 20 10 EECDHN CC(=O)NCCCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764750526 577487961 /nfs/dbraw/zinc/48/79/61/577487961.db2.gz LCUFTSLVDQKWFP-CYBMUJFWSA-N 0 3 339.867 2.353 20 10 EECDHN C[C@H](NCC(=O)N1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000765416948 577500641 /nfs/dbraw/zinc/50/06/41/577500641.db2.gz OUSCLCNGOYVTNN-KRWDZBQOSA-N 0 3 344.503 2.102 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000769340849 577575429 /nfs/dbraw/zinc/57/54/29/577575429.db2.gz YBQKRFPGVZNEOQ-ZDUSSCGKSA-N 0 3 328.416 2.318 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000769340849 577575430 /nfs/dbraw/zinc/57/54/30/577575430.db2.gz YBQKRFPGVZNEOQ-ZDUSSCGKSA-N 0 3 328.416 2.318 20 10 EECDHN C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OCO2 ZINC000740757990 578107018 /nfs/dbraw/zinc/10/70/18/578107018.db2.gz LFBXZWIZYGYTQE-UHFFFAOYSA-N 0 3 338.404 2.468 20 10 EECDHN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OCO2 ZINC000740757990 578107019 /nfs/dbraw/zinc/10/70/19/578107019.db2.gz LFBXZWIZYGYTQE-UHFFFAOYSA-N 0 3 338.404 2.468 20 10 EECDHN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000741089749 578112787 /nfs/dbraw/zinc/11/27/87/578112787.db2.gz UMMDAYRFASKNSR-INIZCTEOSA-N 0 3 326.444 2.099 20 10 EECDHN COc1ccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821813428 599452341 /nfs/dbraw/zinc/45/23/41/599452341.db2.gz GGGCNXOLEQPMHD-UHFFFAOYSA-N 0 3 339.399 2.352 20 10 EECDHN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826210065 608500342 /nfs/dbraw/zinc/50/03/42/608500342.db2.gz CKPWUVKKTYNAFC-LLVKDONJSA-N 0 3 325.372 2.432 20 10 EECDHN CN(C)c1ccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825879986 609267072 /nfs/dbraw/zinc/26/70/72/609267072.db2.gz ULCDZRAQBILWAI-UHFFFAOYSA-N 0 3 338.415 2.101 20 10 EECDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc(=O)[nH]1 ZINC000891250204 676246265 /nfs/dbraw/zinc/24/62/65/676246265.db2.gz ZVJZWDVSUGWRBZ-KRWDZBQOSA-N 0 3 342.443 2.194 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1[O-] ZINC000840833758 676382735 /nfs/dbraw/zinc/38/27/35/676382735.db2.gz PLSCPRIHTHLCFW-VHSXEESVSA-N 0 3 327.222 2.250 20 10 EECDHN CO[C@@H]1CCC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895188778 684259914 /nfs/dbraw/zinc/25/99/14/684259914.db2.gz RIISCTHKCRYOQI-FGTMMUONSA-N 0 3 348.491 2.222 20 10 EECDHN Cc1ccc(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)c([O-])c1 ZINC000897893464 691814487 /nfs/dbraw/zinc/81/44/87/691814487.db2.gz NVBTUTPNYFNRHV-UHFFFAOYSA-N 0 3 332.444 2.352 20 10 EECDHN O=C1CCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)CN1C1COC1 ZINC001273283935 1197951093 /nfs/dbraw/zinc/95/10/93/1197951093.db2.gz CQRMPCVRJIXADL-UHFFFAOYSA-N 0 3 348.418 2.135 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1[O-] ZINC000866497319 1201532719 /nfs/dbraw/zinc/53/27/19/1201532719.db2.gz FHJGJKJMCGXKAG-OASPWFOLSA-N 0 3 330.222 2.264 20 10 EECDHN CNS(=O)(=O)[C@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000138350158 1202525547 /nfs/dbraw/zinc/52/55/47/1202525547.db2.gz LJGJDHIZCXZZEL-AWEZNQCLSA-N 0 3 340.489 2.122 20 10 EECDHN [O-]c1cccc(Cl)c1CN1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001275217638 1205283876 /nfs/dbraw/zinc/28/38/76/1205283876.db2.gz WMLRELBKNGJGAE-UHFFFAOYSA-N 0 3 346.862 2.450 20 10 EECDHN [O-]c1cccc(Cl)c1CN1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001275217638 1205283877 /nfs/dbraw/zinc/28/38/77/1205283877.db2.gz WMLRELBKNGJGAE-UHFFFAOYSA-N 0 3 346.862 2.450 20 10 EECDHN CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275908919 1205581307 /nfs/dbraw/zinc/58/13/07/1205581307.db2.gz KWIJQXSAOMQQCM-PBHICJAKSA-N 0 3 344.434 2.454 20 10 EECDHN CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275908919 1205581308 /nfs/dbraw/zinc/58/13/08/1205581308.db2.gz KWIJQXSAOMQQCM-PBHICJAKSA-N 0 3 344.434 2.454 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)cc1 ZINC000076014245 1208983615 /nfs/dbraw/zinc/98/36/15/1208983615.db2.gz QZEUJNYWARETKE-UHFFFAOYSA-N 0 3 331.460 2.076 20 10 EECDHN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001276360266 1214428457 /nfs/dbraw/zinc/42/84/57/1214428457.db2.gz QUJZZPKPTKJLPE-IRXDYDNUSA-N 0 3 330.407 2.077 20 10 EECDHN [O-]c1cccc(F)c1C[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001276360266 1214428462 /nfs/dbraw/zinc/42/84/62/1214428462.db2.gz QUJZZPKPTKJLPE-IRXDYDNUSA-N 0 3 330.407 2.077 20 10 EECDHN CC[C@H](CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001016366763 1226398134 /nfs/dbraw/zinc/39/81/34/1226398134.db2.gz GCWHFASIWVYKKK-LSDHHAIUSA-N 0 3 347.419 2.078 20 10 EECDHN C[C@@H]1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)N1C1CC1 ZINC000900184728 1234072808 /nfs/dbraw/zinc/07/28/08/1234072808.db2.gz FVVJPOKNCCUOBF-CXAGYDPISA-N 0 3 344.459 2.170 20 10 EECDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](C)N1CCOCC1 ZINC000858129679 1294015657 /nfs/dbraw/zinc/01/56/57/1294015657.db2.gz OOOFOZSWGHTMRB-CHWSQXEVSA-N 0 3 327.419 2.230 20 10 EECDHN O=C1Nc2ccccc2C[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000858281793 1294070438 /nfs/dbraw/zinc/07/04/38/1294070438.db2.gz YQFXYLAAMCQGAX-IBGZPJMESA-N 0 3 337.423 2.176 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c([O-])c1 ZINC001276804678 1298012181 /nfs/dbraw/zinc/01/21/81/1298012181.db2.gz KAQDYTGXJAOFDQ-FUHWJXTLSA-N 0 3 326.444 2.384 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c([O-])c1 ZINC001276804678 1298012187 /nfs/dbraw/zinc/01/21/87/1298012187.db2.gz KAQDYTGXJAOFDQ-FUHWJXTLSA-N 0 3 326.444 2.384 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c(Cl)c1 ZINC001276805792 1298052060 /nfs/dbraw/zinc/05/20/60/1298052060.db2.gz MDKNPNBTWHHRQM-KRWDZBQOSA-N 0 3 340.851 2.351 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c(Cl)c1 ZINC001276805792 1298052073 /nfs/dbraw/zinc/05/20/73/1298052073.db2.gz MDKNPNBTWHHRQM-KRWDZBQOSA-N 0 3 340.851 2.351 20 10 EECDHN c1cc2c(cc1N1C[C@H]3CN(C4CCCC4)C[C@@H](C1)O3)OCCO2 ZINC001277013530 1300863490 /nfs/dbraw/zinc/86/34/90/1300863490.db2.gz DOBCZVLYISMWRJ-CALCHBBNSA-N 0 3 330.428 2.290 20 10 EECDHN O=C([C@@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2)N1CC(F)(C2CC2)C1 ZINC001277492971 1303666282 /nfs/dbraw/zinc/66/62/82/1303666282.db2.gz HDURJXHUCNWYSK-AWEZNQCLSA-N 0 3 348.393 2.314 20 10 EECDHN O=C([C@@H]1CC12CN(Cc1c(O)cccc1F)C2)N1CC(F)(C2CC2)C1 ZINC001277492971 1303666291 /nfs/dbraw/zinc/66/62/91/1303666291.db2.gz HDURJXHUCNWYSK-AWEZNQCLSA-N 0 3 348.393 2.314 20 10 EECDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)N[C@@H](C)c3ncc[nH]3)C2)c(O)c1 ZINC001277567418 1303919918 /nfs/dbraw/zinc/91/99/18/1303919918.db2.gz GPMHLKORYJXQAP-DZGCQCFKSA-N 0 3 340.427 2.123 20 10 EECDHN CCN1CCN(c2ccc(O[C@H](C(=O)OC)C(F)(F)F)cc2)CC1 ZINC001234658077 1305002361 /nfs/dbraw/zinc/00/23/61/1305002361.db2.gz SRFFROGVBSSHKN-CQSZACIVSA-N 0 3 346.349 2.311 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3nccnc3C)C2)cc1OC ZINC001236753096 1305659662 /nfs/dbraw/zinc/65/96/62/1305659662.db2.gz HAEVXUHJIJJDRN-AWEZNQCLSA-N 0 3 345.399 2.161 20 10 EECDHN COc1cc(CN2CC[C@@]3(C2)CC(F)(F)CO3)c(O)c(OC)c1 ZINC001237677353 1306040940 /nfs/dbraw/zinc/04/09/40/1306040940.db2.gz ASSZMIJGOINDHI-HNNXBMFYSA-N 0 3 329.343 2.410 20 10 EECDHN Cc1ccc(C)c(CN2CC[C@@H](C(=O)N(C)C)n3nccc3C2)c1O ZINC001278356828 1309748543 /nfs/dbraw/zinc/74/85/43/1309748543.db2.gz COSQZLCDQLBSSR-KRWDZBQOSA-N 0 3 342.443 2.241 20 10 EECDHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(N(C)C)c(C)c3)C[C@H]21 ZINC001139669915 1314756888 /nfs/dbraw/zinc/75/68/88/1314756888.db2.gz DJUNOCFRTDRADU-ZIFCJYIRSA-N 0 3 345.487 2.034 20 10 EECDHN O[C@@]1(CF)CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660269 1314923576 /nfs/dbraw/zinc/92/35/76/1314923576.db2.gz MBLJSJXTBPBBAK-SFHVURJKSA-N 0 3 340.414 2.349 20 10 EECDHN Cn1ncc2c1CCCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000840953919 1315445480 /nfs/dbraw/zinc/44/54/80/1315445480.db2.gz COGOBGBAKIBCCG-UHFFFAOYSA-N 0 3 326.444 2.205 20 10 EECDHN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC000841328711 1315532369 /nfs/dbraw/zinc/53/23/69/1315532369.db2.gz QFBWJPBAXVCRKK-UHFFFAOYSA-N 0 3 343.383 2.205 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c([O-])c1 ZINC001249201532 1317023503 /nfs/dbraw/zinc/02/35/03/1317023503.db2.gz WRDXPCWONSFGJA-MRXNPFEDSA-N 0 3 326.396 2.492 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c([O-])c1 ZINC001249201532 1317023516 /nfs/dbraw/zinc/02/35/16/1317023516.db2.gz WRDXPCWONSFGJA-MRXNPFEDSA-N 0 3 326.396 2.492 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[NH+]3CCC(NC(N)=O)CC3)ccc2O1 ZINC001249224049 1317028206 /nfs/dbraw/zinc/02/82/06/1317028206.db2.gz RVIPXAVJZFQXAW-UHFFFAOYSA-N 0 3 331.416 2.209 20 10 EECDHN C[NH+](C)CCNC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001249847206 1317185699 /nfs/dbraw/zinc/18/56/99/1317185699.db2.gz UMCRXHIMZIEFGB-UHFFFAOYSA-N 0 3 338.864 2.120 20 10 EECDHN O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])O1)N1CCCCO1 ZINC001203551957 1321910456 /nfs/dbraw/zinc/91/04/56/1321910456.db2.gz UWQYUAYONYLTBX-NXHRZFHOSA-N 0 3 346.427 2.068 20 10 EECDHN O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])O1)N1CCCCO1 ZINC001203551957 1321910458 /nfs/dbraw/zinc/91/04/58/1321910458.db2.gz UWQYUAYONYLTBX-NXHRZFHOSA-N 0 3 346.427 2.068 20 10 EECDHN COc1cccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203599603 1321920535 /nfs/dbraw/zinc/92/05/35/1321920535.db2.gz JLJCKMNHLZVYOW-ZIAGYGMSSA-N 0 3 334.416 2.452 20 10 EECDHN COc1ccnc(O[C@@H]2CCCN(Cc3cccc(OC)c3O)C2)n1 ZINC001203601759 1321921044 /nfs/dbraw/zinc/92/10/44/1321921044.db2.gz JYECQCKCBLIATF-CQSZACIVSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c([O-])c1 ZINC001203622926 1321925080 /nfs/dbraw/zinc/92/50/80/1321925080.db2.gz FSYZVHPPQXTXMY-GJZGRUSLSA-N 0 3 345.468 2.421 20 10 EECDHN COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c([O-])c1 ZINC001203623671 1321925768 /nfs/dbraw/zinc/92/57/68/1321925768.db2.gz WCHURCLEUXBUCR-HUUCEWRRSA-N 0 3 342.395 2.198 20 10 EECDHN CCc1cccc(CNCc2cccnc2N2CCOCC2)c1O ZINC000848892649 1338795188 /nfs/dbraw/zinc/79/51/88/1338795188.db2.gz CSHTXTIOMHFNGJ-UHFFFAOYSA-N 0 3 327.428 2.476 20 10 EECDHN CN(C)c1cc(F)c(CN2CCN(C[C@H]3CCOC3)CC2)cc1F ZINC000862249795 1369527018 /nfs/dbraw/zinc/52/70/18/1369527018.db2.gz CRJYCBHCSNEQBI-CQSZACIVSA-N 0 3 339.430 2.185 20 10 EECDHN C[C@@H](C1CC1)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000154832702 769436186 /nfs/dbraw/zinc/43/61/86/769436186.db2.gz BOJADBGXNSIVDH-AWEZNQCLSA-N 0 3 349.450 2.009 20 10 EECDHN CCC[N@H+](CCCN(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000809757402 783364697 /nfs/dbraw/zinc/36/46/97/783364697.db2.gz RVZAUWXUKGTUJD-UHFFFAOYSA-N 0 3 325.409 2.473 20 10 EECDHN CCC[N@@H+](CCCN(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000809757402 783364708 /nfs/dbraw/zinc/36/47/08/783364708.db2.gz RVZAUWXUKGTUJD-UHFFFAOYSA-N 0 3 325.409 2.473 20 10 EECDHN COc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000816597266 784142909 /nfs/dbraw/zinc/14/29/09/784142909.db2.gz LLKWWLJVJNYULT-UHFFFAOYSA-N 0 3 327.446 2.094 20 10 EECDHN COc1cccc([C@@H](C)NCc2cccc(N3CCOCC3)n2)c1O ZINC000846165627 790067967 /nfs/dbraw/zinc/06/79/67/790067967.db2.gz WTYDTIVOIDJJKN-CQSZACIVSA-N 0 3 343.427 2.483 20 10 EECDHN COC(=O)COc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793389075 810311632 /nfs/dbraw/zinc/31/16/32/810311632.db2.gz UYWOATIDFPNZEC-UHFFFAOYSA-N 0 3 331.368 2.242 20 10 EECDHN C[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000123816833 463371274 /nfs/dbraw/zinc/37/12/74/463371274.db2.gz KMFDZWYBUDJMGU-GFCCVEGCSA-N 0 3 327.222 2.255 20 10 EECDHN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000123816833 463371277 /nfs/dbraw/zinc/37/12/77/463371277.db2.gz KMFDZWYBUDJMGU-GFCCVEGCSA-N 0 3 327.222 2.255 20 10 EECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185345162 463806619 /nfs/dbraw/zinc/80/66/19/463806619.db2.gz IZFHGCLBFDXUGD-HOTGVXAUSA-N 0 3 335.492 2.325 20 10 EECDHN CS[C@H](CO)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268999312 463841705 /nfs/dbraw/zinc/84/17/05/463841705.db2.gz JJFIYSRNKPMYLR-PBFPGSCMSA-N 0 3 342.480 2.425 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278475553 463966426 /nfs/dbraw/zinc/96/64/26/463966426.db2.gz OELLZUJMXSXINH-UONOGXRCSA-N 0 3 330.432 2.454 20 10 EECDHN COc1c([O-])c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950201 464012842 /nfs/dbraw/zinc/01/28/42/464012842.db2.gz ZGLPGCXNFXVUFZ-JSGCOSHPSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950201 464012846 /nfs/dbraw/zinc/01/28/46/464012846.db2.gz ZGLPGCXNFXVUFZ-JSGCOSHPSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000278950201 464012848 /nfs/dbraw/zinc/01/28/48/464012848.db2.gz ZGLPGCXNFXVUFZ-JSGCOSHPSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000278950201 464012852 /nfs/dbraw/zinc/01/28/52/464012852.db2.gz ZGLPGCXNFXVUFZ-JSGCOSHPSA-N 0 3 335.404 2.225 20 10 EECDHN CN(C)c1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cc1F ZINC000269968613 464142508 /nfs/dbraw/zinc/14/25/08/464142508.db2.gz WXABKOSHRLLGHL-VQIMIIECSA-N 0 3 332.419 2.466 20 10 EECDHN CCOc1ccc(O)c(CN2CCSC[C@H]2CC(=O)OC)c1 ZINC000271165890 464286157 /nfs/dbraw/zinc/28/61/57/464286157.db2.gz CBJYLWNXDIMDGJ-CYBMUJFWSA-N 0 3 325.430 2.271 20 10 EECDHN COc1cc(C[NH2+]Cc2cc(C)c(C)cc2[O-])ccc1OCC(N)=O ZINC000174315470 464392226 /nfs/dbraw/zinc/39/22/26/464392226.db2.gz SCAODJIVYLJXDE-UHFFFAOYSA-N 0 3 344.411 2.172 20 10 EECDHN COc1cc(CNCc2cc(C)c(C)cc2O)ccc1OCC(N)=O ZINC000174315470 464392230 /nfs/dbraw/zinc/39/22/30/464392230.db2.gz SCAODJIVYLJXDE-UHFFFAOYSA-N 0 3 344.411 2.172 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]CC1CCN(CC(F)(F)F)CC1)OCO2 ZINC000189458874 464509630 /nfs/dbraw/zinc/50/96/30/464509630.db2.gz KVAYVVIHEPFVIY-UHFFFAOYSA-N 0 3 346.349 2.485 20 10 EECDHN CS[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1N1CCCC1 ZINC000275352372 464771212 /nfs/dbraw/zinc/77/12/12/464771212.db2.gz ZLGPFGOESPKTBM-YCVPZWQRSA-N 0 3 348.468 2.149 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](C)C1(C)CC1)cc2=O ZINC000177252799 464969785 /nfs/dbraw/zinc/96/97/85/464969785.db2.gz WMBBRYRUFZRPII-LLVKDONJSA-N 0 3 332.404 2.232 20 10 EECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)CN1CCc3ccccc3C1)CC2 ZINC000295904049 465001248 /nfs/dbraw/zinc/00/12/48/465001248.db2.gz IUVVLVXANIXWOV-MOPGFXCFSA-N 0 3 338.451 2.388 20 10 EECDHN CCO[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@]12CCCO2 ZINC000360722247 465600004 /nfs/dbraw/zinc/60/00/04/465600004.db2.gz SNMJNSNDYXYQGE-AQNXPRMDSA-N 0 3 346.471 2.339 20 10 EECDHN CC[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccccc1[O-] ZINC000364363749 466696217 /nfs/dbraw/zinc/69/62/17/466696217.db2.gz ORPNFHXWGXOXFU-UVBSCNOISA-N 0 3 331.416 2.153 20 10 EECDHN CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(F)cc2)c([O-])c1 ZINC000725846844 576066063 /nfs/dbraw/zinc/06/60/63/576066063.db2.gz VDIRMZZUZNRELB-UHFFFAOYSA-N 0 3 332.375 2.450 20 10 EECDHN C[C@@H](NCC(=O)N1CCC[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775258876 577433824 /nfs/dbraw/zinc/43/38/24/577433824.db2.gz LMFJHYQNCDPNKB-DLBZAZTESA-N 0 3 345.487 2.432 20 10 EECDHN Cc1cc(Br)cc(CN2CCC(OCCO)CC2)c1O ZINC000775733737 577444115 /nfs/dbraw/zinc/44/41/15/577444115.db2.gz XEPBJBUKQNEXBN-UHFFFAOYSA-N 0 3 344.249 2.436 20 10 EECDHN COC(=O)C[C@]1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCOC1 ZINC000770675202 577601428 /nfs/dbraw/zinc/60/14/28/577601428.db2.gz CRPOQWHKGYZJRL-MRXNPFEDSA-N 0 3 343.807 2.256 20 10 EECDHN C[C@@H](N[C@H](CO)CC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000760036208 577656204 /nfs/dbraw/zinc/65/62/04/577656204.db2.gz DFRUTHYSOMTULS-YPMHNXCESA-N 0 3 332.366 2.329 20 10 EECDHN COC(=O)CN(CC[NH+]1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC000760855662 577670757 /nfs/dbraw/zinc/67/07/57/577670757.db2.gz HAXJTCVWLJWZGF-UHFFFAOYSA-N 0 3 326.824 2.116 20 10 EECDHN C[C@@H](NC1COC(C)(C)OC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000757704335 577862845 /nfs/dbraw/zinc/86/28/45/577862845.db2.gz JPRKWKMTKWYSNY-CYBMUJFWSA-N 0 3 338.423 2.464 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCCCO2)N(C)C)cc1 ZINC000891248487 676242849 /nfs/dbraw/zinc/24/28/49/676242849.db2.gz NHENMXLQMZFXJO-HKUYNNGSSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)C2SCCS2)N(C)C)cc1 ZINC000891251092 676247566 /nfs/dbraw/zinc/24/75/66/676247566.db2.gz DRFLCYUYOWSKQO-AWEZNQCLSA-N 0 3 339.530 2.278 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC2CC(F)(F)C2)N(C)C)cc1 ZINC000894442854 682893983 /nfs/dbraw/zinc/89/39/83/682893983.db2.gz HTYOLKOFXGNVPN-HNNXBMFYSA-N 0 3 340.418 2.452 20 10 EECDHN C[C@@H]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)O1 ZINC000895287253 684449399 /nfs/dbraw/zinc/44/93/99/684449399.db2.gz XWGQVALQXZCPKG-OLMNPRSZSA-N 0 3 348.491 2.222 20 10 EECDHN CCOCCN1CC[C@@]2(CCCN2Cc2ccc(N(C)C)cc2)C1=O ZINC001272916776 1193602873 /nfs/dbraw/zinc/60/28/73/1193602873.db2.gz LVVJCZFKQPEOHU-FQEVSTJZSA-N 0 3 345.487 2.356 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000877145303 1199869087 /nfs/dbraw/zinc/86/90/87/1199869087.db2.gz GQLYRPGDXMXAQF-UHFFFAOYSA-N 0 3 325.412 2.490 20 10 EECDHN COc1ccc(N2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001274791046 1205163388 /nfs/dbraw/zinc/16/33/88/1205163388.db2.gz OYXAWUXVONOJPW-IBGZPJMESA-N 0 3 331.460 2.218 20 10 EECDHN Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2[O-])n(C)n1 ZINC001275267486 1205294399 /nfs/dbraw/zinc/29/43/99/1205294399.db2.gz PMTLKXZKKKYERC-CALCHBBNSA-N 0 3 326.444 2.283 20 10 EECDHN Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2[O-])n(C)n1 ZINC001275267486 1205294400 /nfs/dbraw/zinc/29/44/00/1205294400.db2.gz PMTLKXZKKKYERC-CALCHBBNSA-N 0 3 326.444 2.283 20 10 EECDHN CCC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CCOC ZINC000159765606 1208500609 /nfs/dbraw/zinc/50/06/09/1208500609.db2.gz RAMCVWPVVUIEPE-OAHLLOKOSA-N 0 3 336.432 2.054 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]CC2(OCCO)CCOCC2)c2c1c(F)ccc2[O-] ZINC000800501769 1234222762 /nfs/dbraw/zinc/22/27/62/1234222762.db2.gz CYNWSANNTBQRCO-TZMCWYRMSA-N 0 3 339.407 2.227 20 10 EECDHN Cc1nn(C)c(C)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406100 1277215976 /nfs/dbraw/zinc/21/59/76/1277215976.db2.gz RLXGOEVAJVKCNO-UHFFFAOYSA-N 0 3 328.460 2.288 20 10 EECDHN CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(O)c(O)cc1O ZINC001273843958 1286700980 /nfs/dbraw/zinc/70/09/80/1286700980.db2.gz WHRRREIJACWNQF-ZIAGYGMSSA-N 0 3 334.416 2.169 20 10 EECDHN O=C(CCN(Cc1ccco1)Cc1ccccc1O)N1CCOCC1 ZINC000109761161 1291783750 /nfs/dbraw/zinc/78/37/50/1291783750.db2.gz WFDNALNMWIAOCB-UHFFFAOYSA-N 0 3 344.411 2.236 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000858498035 1294134750 /nfs/dbraw/zinc/13/47/50/1294134750.db2.gz KKDCSGKZOBXPQY-NWANDNLSSA-N 0 3 326.462 2.212 20 10 EECDHN O=C(N1CCCC12CC2)[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276913299 1300235208 /nfs/dbraw/zinc/23/52/08/1300235208.db2.gz ALTKBPHQVRHTSO-AUUYWEPGSA-N 0 3 328.412 2.075 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192629 1301745509 /nfs/dbraw/zinc/74/55/09/1301745509.db2.gz RGLUVYUKJGRWEV-HNNXBMFYSA-N 0 3 342.399 2.062 20 10 EECDHN Cn1ccnc1NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277442772 1303039135 /nfs/dbraw/zinc/03/91/35/1303039135.db2.gz ZNFDDQQGEMOWPI-SCAQPMJSSA-N 0 3 340.427 2.222 20 10 EECDHN Cn1ccnc1NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442772 1303039143 /nfs/dbraw/zinc/03/91/43/1303039143.db2.gz ZNFDDQQGEMOWPI-SCAQPMJSSA-N 0 3 340.427 2.222 20 10 EECDHN COc1cc(O[C@@H]2CCN(Cc3cc(OC)c(O)cc3O)C2)ccn1 ZINC001231639750 1303876082 /nfs/dbraw/zinc/87/60/82/1303876082.db2.gz IRRNOHPSFMRYOU-CQSZACIVSA-N 0 3 346.383 2.163 20 10 EECDHN Oc1cc(O)c(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1O ZINC001233485034 1304477128 /nfs/dbraw/zinc/47/71/28/1304477128.db2.gz GTYDHLYWXUSSJZ-UHFFFAOYSA-N 0 3 333.359 2.426 20 10 EECDHN CN(C)C(=O)NC1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125253 1305805782 /nfs/dbraw/zinc/80/57/82/1305805782.db2.gz BMNMKCFXTRUWHT-UHFFFAOYSA-N 0 3 329.803 2.420 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237680886 1306042147 /nfs/dbraw/zinc/04/21/47/1306042147.db2.gz MXNYURPTOOGNGD-HNNXBMFYSA-N 0 3 330.384 2.458 20 10 EECDHN CCN1CCN(c2ccc(CN3CC[C@@H](O)C(F)(F)C3)cc2)CC1 ZINC001140304276 1314862157 /nfs/dbraw/zinc/86/21/57/1314862157.db2.gz LOOVWPBTBRWTNV-QGZVFWFLSA-N 0 3 339.430 2.030 20 10 EECDHN CCN1CCN(c2ccc(CN3CCc4c(cnn4C)C3)cc2)CC1 ZINC001140306606 1314863263 /nfs/dbraw/zinc/86/32/63/1314863263.db2.gz VGZIRTFDLPMRET-UHFFFAOYSA-N 0 3 339.487 2.120 20 10 EECDHN O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCc4cccc([O-])c43)ccc21 ZINC000834675957 1314863535 /nfs/dbraw/zinc/86/35/35/1314863535.db2.gz OEBVAUPMJOIWTB-OAHLLOKOSA-N 0 3 329.421 2.499 20 10 EECDHN Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccccn3)C2)c(O)c1 ZINC001140954777 1314995891 /nfs/dbraw/zinc/99/58/91/1314995891.db2.gz YVSDGCJMGVPGTC-MRXNPFEDSA-N 0 3 325.412 2.490 20 10 EECDHN CN1CCC2(CN(Cc3cc4c5c(c3)CCCN5CCC4)C2)C1=O ZINC001141078672 1315038498 /nfs/dbraw/zinc/03/84/98/1315038498.db2.gz DKJOBMZEBFQFQY-UHFFFAOYSA-N 0 3 325.456 2.050 20 10 EECDHN CN1C(=O)CCC12CCN(Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141146460 1315049998 /nfs/dbraw/zinc/04/99/98/1315049998.db2.gz WCFUQFDRUWMFLI-UHFFFAOYSA-N 0 3 329.444 2.102 20 10 EECDHN COc1cc(Br)cc(CN[C@H](C)C(=O)NC(C)C)c1O ZINC000840975628 1315450024 /nfs/dbraw/zinc/45/00/24/1315450024.db2.gz ZYLCGWKOGDPVMW-SECBINFHSA-N 0 3 345.237 2.166 20 10 EECDHN CCN1CCN(c2ccc(CNCc3cc(C)nn3C)cc2F)CC1 ZINC000841862062 1315626072 /nfs/dbraw/zinc/62/60/72/1315626072.db2.gz XDXCSODBMBVPNL-UHFFFAOYSA-N 0 3 345.466 2.299 20 10 EECDHN COc1ccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)c(O)c1 ZINC000841992100 1315648539 /nfs/dbraw/zinc/64/85/39/1315648539.db2.gz SSKDLKCLEPTQMS-KRWDZBQOSA-N 0 3 341.411 2.087 20 10 EECDHN COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843435657 1315915291 /nfs/dbraw/zinc/91/52/91/1315915291.db2.gz XANRCRZKCCCZQI-ZWKOTPCHSA-N 0 3 341.407 2.415 20 10 EECDHN COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843435657 1315915293 /nfs/dbraw/zinc/91/52/93/1315915293.db2.gz XANRCRZKCCCZQI-ZWKOTPCHSA-N 0 3 341.407 2.415 20 10 EECDHN NC1(C(=O)NCc2c(O)ccc3c2CCCC3)Cc2ccccc2C1 ZINC000843489658 1315922784 /nfs/dbraw/zinc/92/27/84/1315922784.db2.gz JJMVNBPFRARFSK-UHFFFAOYSA-N 0 3 336.435 2.384 20 10 EECDHN C[C@@](O)(CNCc1ccc2c(c1)CCO2)C(=O)OCc1ccccc1 ZINC001253656896 1317906913 /nfs/dbraw/zinc/90/69/13/1317906913.db2.gz WDIKJMFTDRIBFI-HXUWFJFHSA-N 0 3 341.407 2.206 20 10 EECDHN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2O)CC12COC2 ZINC001203562035 1321912613 /nfs/dbraw/zinc/91/26/13/1321912613.db2.gz BUISBARITINEKX-OAHLLOKOSA-N 0 3 334.416 2.118 20 10 EECDHN CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccccc2[O-])CC12COC2 ZINC001203562035 1321912614 /nfs/dbraw/zinc/91/26/14/1321912614.db2.gz BUISBARITINEKX-OAHLLOKOSA-N 0 3 334.416 2.118 20 10 EECDHN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC12COC2 ZINC001203562035 1321912616 /nfs/dbraw/zinc/91/26/16/1321912616.db2.gz BUISBARITINEKX-OAHLLOKOSA-N 0 3 334.416 2.118 20 10 EECDHN COc1cccc(CN2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)c1O ZINC001203589476 1321918452 /nfs/dbraw/zinc/91/84/52/1321918452.db2.gz JCTLAUSCUCTQRY-VBNZEHGJSA-N 0 3 345.399 2.444 20 10 EECDHN COc1ccnc(OC2CCN(Cc3cccc(OC)c3O)CC2)n1 ZINC001203601839 1321920775 /nfs/dbraw/zinc/92/07/75/1321920775.db2.gz NGRDYTRCCFPEML-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN O=C1NCC[C@]12C[N@H+](Cc1ccc(O)cc1[O-])C[C@H]2c1ccccc1 ZINC001204274563 1322099963 /nfs/dbraw/zinc/09/99/63/1322099963.db2.gz OXQKUIFCAJWMFE-FXAWDEMLSA-N 0 3 338.407 2.204 20 10 EECDHN O=C1NCC[C@]12C[N@@H+](Cc1ccc(O)cc1[O-])C[C@H]2c1ccccc1 ZINC001204274563 1322099972 /nfs/dbraw/zinc/09/99/72/1322099972.db2.gz OXQKUIFCAJWMFE-FXAWDEMLSA-N 0 3 338.407 2.204 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@](F)(CN)C1 ZINC001206352093 1323466771 /nfs/dbraw/zinc/46/67/71/1323466771.db2.gz OAQKUTCCBUPKOX-SFHVURJKSA-N 0 3 334.391 2.460 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC[C@](F)(CN)C1 ZINC001206352093 1323466776 /nfs/dbraw/zinc/46/67/76/1323466776.db2.gz OAQKUTCCBUPKOX-SFHVURJKSA-N 0 3 334.391 2.460 20 10 EECDHN COc1cc(C)c(C[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c([O-])c1 ZINC001308966165 1331610680 /nfs/dbraw/zinc/61/06/80/1331610680.db2.gz NZLSLKNHUMMCKC-KDURUIRLSA-N 0 3 335.444 2.056 20 10 EECDHN COc1cc(C)c(C[N@@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c([O-])c1 ZINC001308966165 1331610681 /nfs/dbraw/zinc/61/06/81/1331610681.db2.gz NZLSLKNHUMMCKC-KDURUIRLSA-N 0 3 335.444 2.056 20 10 EECDHN CC(C)c1nc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)n[nH]1 ZINC001326446756 1334095597 /nfs/dbraw/zinc/09/55/97/1334095597.db2.gz PRRZSQFOOSNNPO-UHFFFAOYSA-N 0 3 346.454 2.109 20 10 EECDHN CN(C)c1ccc(C[NH2+][C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001591031535 1349432118 /nfs/dbraw/zinc/43/21/18/1349432118.db2.gz MQKUPWZJWPKQIA-KRWDZBQOSA-N 0 3 334.427 2.190 20 10 EECDHN CN(C)c1ccc(C[NH2+][C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001591031535 1349432121 /nfs/dbraw/zinc/43/21/21/1349432121.db2.gz MQKUPWZJWPKQIA-KRWDZBQOSA-N 0 3 334.427 2.190 20 10 EECDHN CCC(=O)CN1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273953277 1369254500 /nfs/dbraw/zinc/25/45/00/1369254500.db2.gz JWHYPDDOJAIOBU-HXUWFJFHSA-N 0 3 343.471 2.156 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC001116511899 1371728402 /nfs/dbraw/zinc/72/84/02/1371728402.db2.gz PTPBOHMKFGSPQH-ZDUSSCGKSA-N 0 3 344.415 2.462 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC001116511899 1371728406 /nfs/dbraw/zinc/72/84/06/1371728406.db2.gz PTPBOHMKFGSPQH-ZDUSSCGKSA-N 0 3 344.415 2.462 20 10 EECDHN Cc1ccc(C)c(CN2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)c1O ZINC001140180299 1372546364 /nfs/dbraw/zinc/54/63/64/1372546364.db2.gz DKRWNGGAGNQNGY-KZNAEPCWSA-N 0 3 344.455 2.125 20 10 EECDHN COc1ccc(CN[C@]2(CO)CCCN(C(=O)C=C(C)C)C2)cc1C ZINC001755080242 1407092442 /nfs/dbraw/zinc/09/24/42/1407092442.db2.gz AWGAZHCJUUKSHD-HXUWFJFHSA-N 0 3 346.471 2.413 20 10 EECDHN CC[C@H](C)C(=O)N1CCC[C@@](CO)(NCc2ccc(OC)c(C)c2)C1 ZINC001755081856 1407095272 /nfs/dbraw/zinc/09/52/72/1407095272.db2.gz XHADBXIQELOCCM-MGPUTAFESA-N 0 3 348.487 2.493 20 10 EECDHN COc1cc([O-])c(CN2[C@H](C)C[NH2+]C[C@@H]2C)cc1Br ZINC001209887873 757520964 /nfs/dbraw/zinc/52/09/64/757520964.db2.gz YSOQAAWXNUFSFL-AOOOYVTPSA-N 0 3 329.238 2.346 20 10 EECDHN COc1cc(Br)cc(C[NH2+]C2CCN(OC)CC2)c1[O-] ZINC000817419080 784769219 /nfs/dbraw/zinc/76/92/19/784769219.db2.gz OXIPOKXQBCDFOD-UHFFFAOYSA-N 0 3 345.237 2.279 20 10 EECDHN CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902065 785055054 /nfs/dbraw/zinc/05/50/54/785055054.db2.gz HRIHPIHRWWLJKF-MOPGFXCFSA-N 0 3 345.487 2.306 20 10 EECDHN CC(=O)c1ccc(OC[C@@H](O)CNCc2ccc3c(c2)CCO3)cc1 ZINC000818996607 785357843 /nfs/dbraw/zinc/35/78/43/785357843.db2.gz JQBIIODCPSOAJK-SFHVURJKSA-N 0 3 341.407 2.354 20 10 EECDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000819695879 785644270 /nfs/dbraw/zinc/64/42/70/785644270.db2.gz CSJULNTVTBAMDA-GASCZTMLSA-N 0 3 348.443 2.157 20 10 EECDHN CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000846035486 790033359 /nfs/dbraw/zinc/03/33/59/790033359.db2.gz UCDMRYYTRPDRJA-KRWDZBQOSA-N 0 3 346.452 2.183 20 10 EECDHN COc1cccc([C@H](C)NCc2cccnc2N2CCOCC2)c1O ZINC000846139741 790072858 /nfs/dbraw/zinc/07/28/58/790072858.db2.gz YOFLQJFTONMPSY-AWEZNQCLSA-N 0 3 343.427 2.483 20 10 EECDHN COCCN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000994494239 798092704 /nfs/dbraw/zinc/09/27/04/798092704.db2.gz MUNPWACBJGUBSC-WFASDCNBSA-N 0 3 347.419 2.078 20 10 EECDHN CCn1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1=O ZINC000788524056 807563665 /nfs/dbraw/zinc/56/36/65/807563665.db2.gz KRJNKQNBQUJXNV-UHFFFAOYSA-N 0 3 345.418 2.134 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000808675004 812809079 /nfs/dbraw/zinc/80/90/79/812809079.db2.gz TWNWSHGONZJRDH-LLVKDONJSA-N 0 3 346.880 2.429 20 10 EECDHN COc1ccc(N2CCN(CCNCc3ccncc3C)CC2)cc1 ZINC000296428647 465190973 /nfs/dbraw/zinc/19/09/73/465190973.db2.gz MZOOUKRMTKRFFB-UHFFFAOYSA-N 0 3 340.471 2.310 20 10 EECDHN COCCCN(C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000152359777 463680621 /nfs/dbraw/zinc/68/06/21/463680621.db2.gz UMXNNBKMLQLGCO-UHFFFAOYSA-N 0 3 344.459 2.187 20 10 EECDHN COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccc1OCC(N)=O ZINC000185205057 463777260 /nfs/dbraw/zinc/77/72/60/463777260.db2.gz YVXZEVZJNNXBPG-NSHDSACASA-N 0 3 348.374 2.255 20 10 EECDHN CCCCN(Cc1ccccc1O)C(=O)NCCN(C)CCOC ZINC000283538430 463919667 /nfs/dbraw/zinc/91/96/67/463919667.db2.gz COLGWIKAFAGSEJ-UHFFFAOYSA-N 0 3 337.464 2.282 20 10 EECDHN Oc1cc2c(cc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1)OCO2 ZINC000278420591 463965030 /nfs/dbraw/zinc/96/50/30/463965030.db2.gz RMQHVYJYTXBSAN-XPTSAGLGSA-N 0 3 333.306 2.256 20 10 EECDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000186475411 464007746 /nfs/dbraw/zinc/00/77/46/464007746.db2.gz YGEXEFKATDVRSY-LBPRGKRZSA-N 0 3 328.796 2.375 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289923759 464101639 /nfs/dbraw/zinc/10/16/39/464101639.db2.gz VWQCYNTZKVYRKU-GXTWGEPZSA-N 0 3 335.404 2.368 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289923759 464101643 /nfs/dbraw/zinc/10/16/43/464101643.db2.gz VWQCYNTZKVYRKU-GXTWGEPZSA-N 0 3 335.404 2.368 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1[O-] ZINC000279640602 464117777 /nfs/dbraw/zinc/11/77/77/464117777.db2.gz CWIHJGFFAYTZJP-LBPRGKRZSA-N 0 3 326.824 2.402 20 10 EECDHN CC[C@@H](NCCS(=O)(=O)NC(C)C)c1ccc(N(C)C)cc1 ZINC000180471145 464317482 /nfs/dbraw/zinc/31/74/82/464317482.db2.gz ZYOSHVIIWVCBDR-MRXNPFEDSA-N 0 3 327.494 2.121 20 10 EECDHN CC(C)N1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000271567998 464334587 /nfs/dbraw/zinc/33/45/87/464334587.db2.gz YTOKLEPNHRCSHQ-GDBMZVCRSA-N 0 3 349.450 2.322 20 10 EECDHN COc1cc(Cl)cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1O ZINC000188741531 464356226 /nfs/dbraw/zinc/35/62/26/464356226.db2.gz HGRFUZWENDPEJN-LBPRGKRZSA-N 0 3 342.867 2.331 20 10 EECDHN CCN1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000175227682 464510059 /nfs/dbraw/zinc/51/00/59/464510059.db2.gz PSNWKASNMRRQGF-GOSISDBHSA-N 0 3 328.460 2.346 20 10 EECDHN COc1cccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1[O-] ZINC000294677662 464571934 /nfs/dbraw/zinc/57/19/34/464571934.db2.gz AZWQCHOUWQYFEJ-NHAGDIPZSA-N 0 3 334.416 2.356 20 10 EECDHN CCN(Cc1cc(Br)cc(C)c1O)[C@@H]1CCNC1=O ZINC000281794286 464589681 /nfs/dbraw/zinc/58/96/81/464589681.db2.gz OITVKASTAXJBQP-GFCCVEGCSA-N 0 3 327.222 2.174 20 10 EECDHN C[C@H]1CSCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000190468385 464652721 /nfs/dbraw/zinc/65/27/21/464652721.db2.gz SGHGLSAMABGBOE-OAHLLOKOSA-N 0 3 335.517 2.396 20 10 EECDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000182464996 464661767 /nfs/dbraw/zinc/66/17/67/464661767.db2.gz DSIHKHIJCBXVEY-SKDRFNHKSA-N 0 3 332.322 2.215 20 10 EECDHN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1 ZINC000267018557 464905725 /nfs/dbraw/zinc/90/57/25/464905725.db2.gz CLOQUIOBDDWILY-UHFFFAOYSA-N 0 3 341.455 2.281 20 10 EECDHN COc1cccc(CNCCS(=O)(=O)CCc2ccccc2)c1O ZINC000282691685 464912635 /nfs/dbraw/zinc/91/26/35/464912635.db2.gz OEKZBIZHEIXIBO-UHFFFAOYSA-N 0 3 349.452 2.148 20 10 EECDHN CN(C)c1ccc(CN2CCN([C@H]3CCCN(C)C3)CC2)cc1F ZINC000378353488 467275126 /nfs/dbraw/zinc/27/51/26/467275126.db2.gz GBHIEJOSBLWWHS-KRWDZBQOSA-N 0 3 334.483 2.104 20 10 EECDHN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000153657057 490676652 /nfs/dbraw/zinc/67/66/52/490676652.db2.gz UBGUIRQYPCWGPM-GOSISDBHSA-N 0 3 331.460 2.012 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+]CCNC(=O)c2ccc(F)cc2)c1 ZINC000725846757 576066057 /nfs/dbraw/zinc/06/60/57/576066057.db2.gz SQVAODMZTGHQPN-UHFFFAOYSA-N 0 3 332.375 2.450 20 10 EECDHN COc1coc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1=O ZINC000775254001 577433693 /nfs/dbraw/zinc/43/36/93/577433693.db2.gz FJZANWBOKJNVCL-CQSZACIVSA-N 0 3 344.411 2.336 20 10 EECDHN C[C@@H](NCC(=O)NC(=O)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000775832742 577446837 /nfs/dbraw/zinc/44/68/37/577446837.db2.gz BCIZZCIQCWKCOG-CYBMUJFWSA-N 0 3 344.415 2.022 20 10 EECDHN Oc1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)[C@@H](O)CO2 ZINC000768438346 577555526 /nfs/dbraw/zinc/55/55/26/577555526.db2.gz RLLQHMIMHKTVAH-IBGZPJMESA-N 0 3 340.423 2.136 20 10 EECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1n1ccnc1 ZINC000768463631 577556476 /nfs/dbraw/zinc/55/64/76/577556476.db2.gz KRWCBFHRWJEYED-SRCQZFHVSA-N 0 3 329.400 2.098 20 10 EECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1n1ccnc1 ZINC000768463631 577556477 /nfs/dbraw/zinc/55/64/77/577556477.db2.gz KRWCBFHRWJEYED-SRCQZFHVSA-N 0 3 329.400 2.098 20 10 EECDHN COc1cccc([O-])c1CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000769538110 577580171 /nfs/dbraw/zinc/58/01/71/577580171.db2.gz RSWWOYHLMGKFMT-UHFFFAOYSA-N 0 3 347.503 2.391 20 10 EECDHN C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756576330 577847121 /nfs/dbraw/zinc/84/71/21/577847121.db2.gz MKOHKGFTOXQSLP-KGLIPLIRSA-N 0 3 348.447 2.120 20 10 EECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c2c1c(F)ccc2[O-] ZINC000756734522 577849585 /nfs/dbraw/zinc/84/95/85/577849585.db2.gz XNQROQAJBWYKSJ-SWHYSGLUSA-N 0 3 344.390 2.208 20 10 EECDHN CCC(C)(C)[C@@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245537 676238373 /nfs/dbraw/zinc/23/83/73/676238373.db2.gz GFNRBCZWYBAJDM-IRXDYDNUSA-N 0 3 335.492 2.269 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@]23CCC[C@H]2OCC3)N(C)C)cc1 ZINC000891245510 676238438 /nfs/dbraw/zinc/23/84/38/676238438.db2.gz FMHGWEOIZRYAKW-NSHGMRRFSA-N 0 3 345.487 2.431 20 10 EECDHN COc1ncccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256207 676251999 /nfs/dbraw/zinc/25/19/99/676251999.db2.gz VRBFQIHUXRCYMB-KRWDZBQOSA-N 0 3 342.443 2.189 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H](F)C2)N(C)C)cc1 ZINC000899099006 693611229 /nfs/dbraw/zinc/61/12/29/693611229.db2.gz UMCPNIQOQDZEIX-DOTOQJQBSA-N 0 3 336.455 2.499 20 10 EECDHN Cc1ccc(O)c(CN2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1 ZINC001272622243 1190935600 /nfs/dbraw/zinc/93/56/00/1190935600.db2.gz AHDQNMGROJLKTP-LJQANCHMSA-N 0 3 341.411 2.456 20 10 EECDHN CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625276 1190937758 /nfs/dbraw/zinc/93/77/58/1190937758.db2.gz JNYADAWKOBUWMG-LIRRHRJNSA-N 0 3 348.443 2.003 20 10 EECDHN CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)OCC1=O ZINC001272625276 1190937761 /nfs/dbraw/zinc/93/77/61/1190937761.db2.gz JNYADAWKOBUWMG-LIRRHRJNSA-N 0 3 348.443 2.003 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)c([O-])c1 ZINC001272626354 1190938116 /nfs/dbraw/zinc/93/81/16/1190938116.db2.gz WPVYRHMZGZCJTK-IBGZPJMESA-N 0 3 332.444 2.481 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)c([O-])c1 ZINC001272626354 1190938118 /nfs/dbraw/zinc/93/81/18/1190938118.db2.gz WPVYRHMZGZCJTK-IBGZPJMESA-N 0 3 332.444 2.481 20 10 EECDHN COc1ccc(N2CCN(CCNCc3cc(C)ns3)CC2)cc1 ZINC000876980844 1199836070 /nfs/dbraw/zinc/83/60/70/1199836070.db2.gz NUVLFRWDJYTBCT-UHFFFAOYSA-N 0 3 346.500 2.372 20 10 EECDHN CCn1ncnc1CN[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000877033707 1199850106 /nfs/dbraw/zinc/85/01/06/1199850106.db2.gz KQSVMLRAPUADJW-OAHLLOKOSA-N 0 3 349.866 2.411 20 10 EECDHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868358266 1201797743 /nfs/dbraw/zinc/79/77/43/1201797743.db2.gz NXCWCDOKRWVYJH-HZPDHXFCSA-N 0 3 348.491 2.026 20 10 EECDHN CC[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000883369922 1202054762 /nfs/dbraw/zinc/05/47/62/1202054762.db2.gz CLVYRPXQSRXKQK-IEBWSBKVSA-N 0 3 347.503 2.230 20 10 EECDHN CC[C@H](C)N1CC[C@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836941 1205180066 /nfs/dbraw/zinc/18/00/66/1205180066.db2.gz PSNGUSMJGUGSDQ-SGTLLEGYSA-N 0 3 334.416 2.026 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001275276403 1205295659 /nfs/dbraw/zinc/29/56/59/1205295659.db2.gz XQKYCABHKXAVAA-XJKSGUPXSA-N 0 3 333.432 2.025 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001275276403 1205295660 /nfs/dbraw/zinc/29/56/60/1205295660.db2.gz XQKYCABHKXAVAA-XJKSGUPXSA-N 0 3 333.432 2.025 20 10 EECDHN CN(C)c1ccc(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001275585665 1205431533 /nfs/dbraw/zinc/43/15/33/1205431533.db2.gz YFGQUTCIWACWRT-KDURUIRLSA-N 0 3 345.487 2.286 20 10 EECDHN COc1cc(C[C@@H](CO)C[NH2+]Cc2cc(F)ccc2[O-])cc(OC)c1 ZINC000779087720 1208500497 /nfs/dbraw/zinc/50/04/97/1208500497.db2.gz PAZVSKFWBBZNRQ-CQSZACIVSA-N 0 3 349.402 2.489 20 10 EECDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(N(C)C)c(F)c2)C1(C)C ZINC000188135855 1208626771 /nfs/dbraw/zinc/62/67/71/1208626771.db2.gz FNBJTRVMVWEEPK-QAPCUYQASA-N 0 3 337.439 2.040 20 10 EECDHN COCCCOCCN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000779603771 1210585001 /nfs/dbraw/zinc/58/50/01/1210585001.db2.gz MNGGBNCVTBIBMB-UHFFFAOYSA-N 0 3 340.439 2.147 20 10 EECDHN C[C@H](F)CCN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016380934 1226415906 /nfs/dbraw/zinc/41/59/06/1226415906.db2.gz GDZULXCQMZZKMK-SMDDNHRTSA-N 0 3 335.383 2.401 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)N(C)C)cc1 ZINC000038635176 1229935519 /nfs/dbraw/zinc/93/55/19/1229935519.db2.gz MWALUJZSIWVDSN-CQSZACIVSA-N 0 3 346.387 2.287 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@](C)(C3CC3)C2=O)N(C)C)cc1 ZINC000900184766 1234073374 /nfs/dbraw/zinc/07/33/74/1234073374.db2.gz GGTKANDQHXJYFW-QFBILLFUSA-N 0 3 344.459 2.076 20 10 EECDHN CCN1CCC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000903391864 1240376421 /nfs/dbraw/zinc/37/64/21/1240376421.db2.gz IPYFUZKUFOJEQR-WMLDXEAASA-N 0 3 349.450 2.324 20 10 EECDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001211362978 1295845493 /nfs/dbraw/zinc/84/54/93/1295845493.db2.gz YUAVJNZXWDEIRK-SFHVURJKSA-N 0 3 331.460 2.014 20 10 EECDHN O=C(NCCc1ccccn1)[C@]12C[C@H]1CCN2Cc1ccccc1O ZINC001277441564 1303030191 /nfs/dbraw/zinc/03/01/91/1303030191.db2.gz NZRXFIAOTWXFFJ-UZLBHIALSA-N 0 3 337.423 2.111 20 10 EECDHN COc1ccc(CCN(Cc2cc(O)c(O)c(O)c2)C[C@H](C)O)cc1 ZINC001233010805 1304326018 /nfs/dbraw/zinc/32/60/18/1304326018.db2.gz URZQIUXVIBIILT-ZDUSSCGKSA-N 0 3 347.411 2.238 20 10 EECDHN O=C(NC1CCN(Cc2cc(O)c(O)cc2O)CC1)C1CCCC1 ZINC001233485082 1304477021 /nfs/dbraw/zinc/47/70/21/1304477021.db2.gz IFGSYXLINGKVQO-UHFFFAOYSA-N 0 3 334.416 2.074 20 10 EECDHN CC1(C)C[NH2+]CCN1Cc1ccc(I)cc1[O-] ZINC001235825542 1305408726 /nfs/dbraw/zinc/40/87/26/1305408726.db2.gz MXLYEVGAOFXOCX-UHFFFAOYSA-N 0 3 346.212 2.181 20 10 EECDHN COCC[NH+](CCOC)Cc1cc(OC)c(Br)cc1[O-] ZINC001236744987 1305656397 /nfs/dbraw/zinc/65/63/97/1305656397.db2.gz JOTYDIIEPRSQNA-UHFFFAOYSA-N 0 3 348.237 2.258 20 10 EECDHN COc1cc(O)c(CN2CCC(Oc3ccncn3)CC2)cc1OC ZINC001236753354 1305659942 /nfs/dbraw/zinc/65/99/42/1305659942.db2.gz MDKFDYYUYKRCJS-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCCN(C(C)=O)[C@@H]3CC2)c([O-])c1 ZINC001236785564 1305673929 /nfs/dbraw/zinc/67/39/29/1305673929.db2.gz KWMVNIWZUWUYAR-IEBWSBKVSA-N 0 3 332.444 2.166 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@H]3OCCN(C(C)=O)[C@@H]3CC2)c([O-])c1 ZINC001236785564 1305673939 /nfs/dbraw/zinc/67/39/39/1305673939.db2.gz KWMVNIWZUWUYAR-IEBWSBKVSA-N 0 3 332.444 2.166 20 10 EECDHN CCc1ccc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c(O)c1 ZINC001236791057 1305677121 /nfs/dbraw/zinc/67/71/21/1305677121.db2.gz CDNRGICOGTZCJY-QGZVFWFLSA-N 0 3 332.444 2.168 20 10 EECDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001236826215 1305691338 /nfs/dbraw/zinc/69/13/38/1305691338.db2.gz IPLKBGBRRYUTHN-HOCLYGCPSA-N 0 3 341.329 2.405 20 10 EECDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001236826215 1305691346 /nfs/dbraw/zinc/69/13/46/1305691346.db2.gz IPLKBGBRRYUTHN-HOCLYGCPSA-N 0 3 341.329 2.405 20 10 EECDHN CCOc1ccc(C[NH+]2CCC3(CC2)N=C(C)N(C)C3=O)c([O-])c1 ZINC001237048549 1305779201 /nfs/dbraw/zinc/77/92/01/1305779201.db2.gz TZTQMKTWHMTABL-UHFFFAOYSA-N 0 3 331.416 2.016 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001139132607 1314709112 /nfs/dbraw/zinc/70/91/12/1314709112.db2.gz YBYFGHKKJPXBOM-IBGZPJMESA-N 0 3 328.412 2.335 20 10 EECDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001139132607 1314709115 /nfs/dbraw/zinc/70/91/15/1314709115.db2.gz YBYFGHKKJPXBOM-IBGZPJMESA-N 0 3 328.412 2.335 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3ccncc3)C2)c(OC)c1 ZINC001141029639 1315020731 /nfs/dbraw/zinc/02/07/31/1315020731.db2.gz YPZPPCRLIVHKGN-AWEZNQCLSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c(OC)c1 ZINC001141029639 1315020733 /nfs/dbraw/zinc/02/07/33/1315020733.db2.gz YPZPPCRLIVHKGN-AWEZNQCLSA-N 0 3 330.384 2.458 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c(OC)c1 ZINC001141029639 1315020738 /nfs/dbraw/zinc/02/07/38/1315020738.db2.gz YPZPPCRLIVHKGN-AWEZNQCLSA-N 0 3 330.384 2.458 20 10 EECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@](C)(O)c1ccccc1 ZINC000842626241 1315736997 /nfs/dbraw/zinc/73/69/97/1315736997.db2.gz NOYYWEMYUDEYQD-HKUYNNGSSA-N 0 3 329.396 2.158 20 10 EECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@](C)(O)c1ccccc1 ZINC000842626241 1315736999 /nfs/dbraw/zinc/73/69/99/1315736999.db2.gz NOYYWEMYUDEYQD-HKUYNNGSSA-N 0 3 329.396 2.158 20 10 EECDHN Oc1cccc2c1CN(C[C@@H](O)COc1ccc(F)cc1F)CC2 ZINC001250861660 1317351492 /nfs/dbraw/zinc/35/14/92/1317351492.db2.gz VPCDZIOBVJBPAV-CQSZACIVSA-N 0 3 335.350 2.468 20 10 EECDHN [O-]c1cccc2c1C[N@H+](C[C@@H](O)COc1ccc(F)cc1F)CC2 ZINC001250861660 1317351499 /nfs/dbraw/zinc/35/14/99/1317351499.db2.gz VPCDZIOBVJBPAV-CQSZACIVSA-N 0 3 335.350 2.468 20 10 EECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H](O)COc1ccc(F)cc1F)CC2 ZINC001250861660 1317351507 /nfs/dbraw/zinc/35/15/07/1317351507.db2.gz VPCDZIOBVJBPAV-CQSZACIVSA-N 0 3 335.350 2.468 20 10 EECDHN CCOC(=O)C1CCC(O)(C[N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001251061617 1317411754 /nfs/dbraw/zinc/41/17/54/1317411754.db2.gz VFMGCZUUISWGIW-UHFFFAOYSA-N 0 3 333.428 2.235 20 10 EECDHN CCOC(=O)C1CCC(O)(C[N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001251061617 1317411756 /nfs/dbraw/zinc/41/17/56/1317411756.db2.gz VFMGCZUUISWGIW-UHFFFAOYSA-N 0 3 333.428 2.235 20 10 EECDHN COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(OC)cc3[O-])C2)nc1 ZINC001203634912 1321929292 /nfs/dbraw/zinc/92/92/92/1321929292.db2.gz AZQDXBVQJWLIOX-MRXNPFEDSA-N 0 3 330.384 2.458 20 10 EECDHN COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(OC)cc3[O-])C2)nc1 ZINC001203634912 1321929294 /nfs/dbraw/zinc/92/92/94/1321929294.db2.gz AZQDXBVQJWLIOX-MRXNPFEDSA-N 0 3 330.384 2.458 20 10 EECDHN CCN(CC)c1ccc(CN2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)cc1 ZINC001203940549 1321995122 /nfs/dbraw/zinc/99/51/22/1321995122.db2.gz PJVJPTBCFHSPHB-QRVBRYPASA-N 0 3 345.487 2.353 20 10 EECDHN NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204282016 1322102864 /nfs/dbraw/zinc/10/28/64/1322102864.db2.gz MKEDAHUMFHQGRU-KRWDZBQOSA-N 0 3 342.395 2.240 20 10 EECDHN NC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)cc1 ZINC001204282016 1322102867 /nfs/dbraw/zinc/10/28/67/1322102867.db2.gz MKEDAHUMFHQGRU-KRWDZBQOSA-N 0 3 342.395 2.240 20 10 EECDHN COc1cc([O-])c(CN2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205116956 1322288936 /nfs/dbraw/zinc/28/89/36/1322288936.db2.gz JZZYTTFSCMEURI-NSHDSACASA-N 0 3 329.238 2.477 20 10 EECDHN COc1cc(C)c(C[NH2+]CCn2cc(Br)cn2)c([O-])c1 ZINC001308753963 1331604615 /nfs/dbraw/zinc/60/46/15/1331604615.db2.gz WFROIDDTKWVXFA-UHFFFAOYSA-N 0 3 340.221 2.458 20 10 EECDHN CCOc1ccc(N2CCN(C(=O)CN(C)C3CCC3)CC2)cc1 ZINC001333111776 1335964429 /nfs/dbraw/zinc/96/44/29/1335964429.db2.gz RHXRTUMZNAZUHW-UHFFFAOYSA-N 0 3 331.460 2.218 20 10 EECDHN COc1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c(O)c1OC ZINC001334214389 1336222520 /nfs/dbraw/zinc/22/25/20/1336222520.db2.gz MIOQVZBNBWLZNB-MRXNPFEDSA-N 0 3 347.415 2.078 20 10 EECDHN COc1cc(CNC[C@H]2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850193365 1367131502 /nfs/dbraw/zinc/13/15/02/1367131502.db2.gz DVXLLJAGZJKVOV-CQSZACIVSA-N 0 3 341.473 2.365 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1[O-] ZINC000862427134 1369534966 /nfs/dbraw/zinc/53/49/66/1369534966.db2.gz UERKHUBQHPQYLG-CQSZACIVSA-N 0 3 330.222 2.046 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](C)[C@@]2(CO)CCOC2)c1[O-] ZINC000862427134 1369534969 /nfs/dbraw/zinc/53/49/69/1369534969.db2.gz UERKHUBQHPQYLG-CQSZACIVSA-N 0 3 330.222 2.046 20 10 EECDHN CCN(C(C)=O)C1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141145787 1372764271 /nfs/dbraw/zinc/76/42/71/1372764271.db2.gz HXWLUAGONYSPLL-UHFFFAOYSA-N 0 3 331.460 2.348 20 10 EECDHN CCN(CCO)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000183926752 782197871 /nfs/dbraw/zinc/19/78/71/782197871.db2.gz YZLJZZJGAOWMOQ-UHFFFAOYSA-N 0 3 347.434 2.277 20 10 EECDHN COc1ccc(N2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000819585432 785595069 /nfs/dbraw/zinc/59/50/69/785595069.db2.gz XUAUITQINRDIRE-OAHLLOKOSA-N 0 3 331.460 2.122 20 10 EECDHN OCCn1ncc2c1CCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921582164 789798739 /nfs/dbraw/zinc/79/87/39/789798739.db2.gz ICJWFBLSXJDFOP-QGZVFWFLSA-N 0 3 327.428 2.368 20 10 EECDHN CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808716777 812820153 /nfs/dbraw/zinc/82/01/53/812820153.db2.gz VQQFWFTXJSCXMP-GXTWGEPZSA-N 0 3 331.840 2.419 20 10 EECDHN CC[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000090017847 529659081 /nfs/dbraw/zinc/65/90/81/529659081.db2.gz HMPUTLGOYZIWQA-ZWKOTPCHSA-N 0 3 341.459 2.332 20 10 EECDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296470971 465204717 /nfs/dbraw/zinc/20/47/17/465204717.db2.gz PLOGIFZQLBXZJK-MJBXVCDLSA-N 0 3 349.450 2.196 20 10 EECDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000296481623 465208184 /nfs/dbraw/zinc/20/81/84/465208184.db2.gz OFXGFZWSZNZWKO-HOCLYGCPSA-N 0 3 327.494 2.121 20 10 EECDHN CN1CCC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000153913463 462708071 /nfs/dbraw/zinc/70/80/71/462708071.db2.gz UVTYUEDHEGHWLG-KRWDZBQOSA-N 0 3 332.444 2.242 20 10 EECDHN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134137834 463008464 /nfs/dbraw/zinc/00/84/64/463008464.db2.gz UQCXRAFHCDJDFB-AWEZNQCLSA-N 0 3 341.249 2.061 20 10 EECDHN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134137834 463008468 /nfs/dbraw/zinc/00/84/68/463008468.db2.gz UQCXRAFHCDJDFB-AWEZNQCLSA-N 0 3 341.249 2.061 20 10 EECDHN COc1ccc(N2CCN(CCCNCc3cncs3)CC2)cc1 ZINC000135829478 463200994 /nfs/dbraw/zinc/20/09/94/463200994.db2.gz SBLYQPYBKNWMLR-UHFFFAOYSA-N 0 3 346.500 2.454 20 10 EECDHN Cc1cc(C(=O)NCC2(O)CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000080880929 463362900 /nfs/dbraw/zinc/36/29/00/463362900.db2.gz RTYMYKKIODYBRD-UHFFFAOYSA-N 0 3 341.455 2.281 20 10 EECDHN CCC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccccc1[O-] ZINC000112691627 463705746 /nfs/dbraw/zinc/70/57/46/463705746.db2.gz MTXXUDOPXAIARX-UHFFFAOYSA-N 0 3 345.443 2.469 20 10 EECDHN CCC[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccccc1[O-] ZINC000112691627 463705747 /nfs/dbraw/zinc/70/57/47/463705747.db2.gz MTXXUDOPXAIARX-UHFFFAOYSA-N 0 3 345.443 2.469 20 10 EECDHN Cc1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c(O)c1O ZINC000179540151 464153466 /nfs/dbraw/zinc/15/34/66/464153466.db2.gz UIAWQNGMJDBPGY-KBPBESRZSA-N 0 3 336.432 2.025 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000281013456 464299205 /nfs/dbraw/zinc/29/92/05/464299205.db2.gz YTIJRUJBDPRHLS-DGCLKSJQSA-N 0 3 344.249 2.198 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000245561165 464495146 /nfs/dbraw/zinc/49/51/46/464495146.db2.gz NIOVDBJUBXATRZ-HLLBOEOZSA-N 0 3 334.460 2.474 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000245561165 464495150 /nfs/dbraw/zinc/49/51/50/464495150.db2.gz NIOVDBJUBXATRZ-HLLBOEOZSA-N 0 3 334.460 2.474 20 10 EECDHN NC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182936070 464760604 /nfs/dbraw/zinc/76/06/04/464760604.db2.gz PCWYAAURODDRKY-INIZCTEOSA-N 0 3 326.396 2.278 20 10 EECDHN NC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182936070 464760610 /nfs/dbraw/zinc/76/06/10/464760610.db2.gz PCWYAAURODDRKY-INIZCTEOSA-N 0 3 326.396 2.278 20 10 EECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000282330314 464778169 /nfs/dbraw/zinc/77/81/69/464778169.db2.gz AUOHRTMSJAVLHD-ZDUSSCGKSA-N 0 3 333.432 2.371 20 10 EECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000282330314 464778175 /nfs/dbraw/zinc/77/81/75/464778175.db2.gz AUOHRTMSJAVLHD-ZDUSSCGKSA-N 0 3 333.432 2.371 20 10 EECDHN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccccc1[O-] ZINC000183405192 464860987 /nfs/dbraw/zinc/86/09/87/464860987.db2.gz MSRSCYWARAFXCC-OAHLLOKOSA-N 0 3 326.444 2.390 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)CC1(C)C)cc2=O ZINC000266926028 464873816 /nfs/dbraw/zinc/87/38/16/464873816.db2.gz KEUYUDXKXNSCJK-LLVKDONJSA-N 0 3 332.404 2.232 20 10 EECDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000268109558 464950628 /nfs/dbraw/zinc/95/06/28/464950628.db2.gz HVPKSGSDNMNDBQ-DNVCBOLYSA-N 0 3 340.471 2.345 20 10 EECDHN O=C1OCCC12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000359864959 465498314 /nfs/dbraw/zinc/49/83/14/465498314.db2.gz CMKMUASIDZAYKJ-UHFFFAOYSA-N 0 3 330.428 2.052 20 10 EECDHN O[C@@H]1c2ccccc2OC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000367285277 466238641 /nfs/dbraw/zinc/23/86/41/466238641.db2.gz CUNWYJHXFVENDK-AZUAARDMSA-N 0 3 340.423 2.107 20 10 EECDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370484991 466897234 /nfs/dbraw/zinc/89/72/34/466897234.db2.gz RIZBVUBTGJJRSM-IYBDPMFKSA-N 0 3 338.407 2.302 20 10 EECDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370484991 466897241 /nfs/dbraw/zinc/89/72/41/466897241.db2.gz RIZBVUBTGJJRSM-IYBDPMFKSA-N 0 3 338.407 2.302 20 10 EECDHN CC(C)[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370779198 467002234 /nfs/dbraw/zinc/00/22/34/467002234.db2.gz JQDPAMLUVRKSFN-HNNXBMFYSA-N 0 3 341.402 2.356 20 10 EECDHN CN1CCC(N2CC[C@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000377387245 467055802 /nfs/dbraw/zinc/05/58/02/467055802.db2.gz STJNZCNEPUAEAY-LBPRGKRZSA-N 0 3 341.858 2.443 20 10 EECDHN O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000377687942 467117045 /nfs/dbraw/zinc/11/70/45/467117045.db2.gz AZUYCGMVBHNFOJ-JKSUJKDBSA-N 0 3 334.416 2.262 20 10 EECDHN O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000377687942 467117047 /nfs/dbraw/zinc/11/70/47/467117047.db2.gz AZUYCGMVBHNFOJ-JKSUJKDBSA-N 0 3 334.416 2.262 20 10 EECDHN COc1cccc(CN2CCC(NC(=O)c3cc(C)on3)CC2)c1O ZINC000378351332 467274382 /nfs/dbraw/zinc/27/43/82/467274382.db2.gz SWFFWOJOCMLDQD-UHFFFAOYSA-N 0 3 345.399 2.092 20 10 EECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](CN)c1ccccc1 ZINC000573728745 469195593 /nfs/dbraw/zinc/19/55/93/469195593.db2.gz FAOGTVFMPYCDTF-INIZCTEOSA-N 0 3 325.412 2.221 20 10 EECDHN CCS(=O)(=O)NCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846099 577127388 /nfs/dbraw/zinc/12/73/88/577127388.db2.gz RLBRQDLDIPBPNR-UHFFFAOYSA-N 0 3 326.462 2.076 20 10 EECDHN CCS(=O)(=O)NCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846099 577127390 /nfs/dbraw/zinc/12/73/90/577127390.db2.gz RLBRQDLDIPBPNR-UHFFFAOYSA-N 0 3 326.462 2.076 20 10 EECDHN COc1cc(O)c(CN[C@H]2CCN(C3CCCCC3)C2=O)cc1OC ZINC000776253373 577455710 /nfs/dbraw/zinc/45/57/10/577455710.db2.gz OCYXMNSBKSICFQ-HNNXBMFYSA-N 0 3 348.443 2.433 20 10 EECDHN COc1cc(O)c(CN2CCC[C@H](c3nnc(C)o3)C2)cc1OC ZINC000768445597 577555910 /nfs/dbraw/zinc/55/59/10/577555910.db2.gz RLKQPSXBTBWGCZ-LBPRGKRZSA-N 0 3 333.388 2.480 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)cc1OC ZINC000768445597 577555911 /nfs/dbraw/zinc/55/59/11/577555911.db2.gz RLKQPSXBTBWGCZ-LBPRGKRZSA-N 0 3 333.388 2.480 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3nnc(C)o3)C2)cc1OC ZINC000768445597 577555912 /nfs/dbraw/zinc/55/59/12/577555912.db2.gz RLKQPSXBTBWGCZ-LBPRGKRZSA-N 0 3 333.388 2.480 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763649356 577724015 /nfs/dbraw/zinc/72/40/15/577724015.db2.gz AYWKWERMKWFHHT-QGZVFWFLSA-N 0 3 330.428 2.051 20 10 EECDHN C[C@H](NC[C@@H]1CC2(CC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000763734802 577725489 /nfs/dbraw/zinc/72/54/89/577725489.db2.gz NVFNYFBXHPIMRH-YOEHRIQHSA-N 0 3 330.428 2.270 20 10 EECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1COCCO1 ZINC000753550014 577789765 /nfs/dbraw/zinc/78/97/65/577789765.db2.gz DYSFWZPTEYIJLB-SFHVURJKSA-N 0 3 329.396 2.476 20 10 EECDHN CCOc1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c([O-])c1 ZINC000754084738 577799973 /nfs/dbraw/zinc/79/99/73/577799973.db2.gz ZRBOTPCMOZFEBI-FUHWJXTLSA-N 0 3 331.412 2.365 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)N(C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756565500 577846939 /nfs/dbraw/zinc/84/69/39/577846939.db2.gz XECBVXNFAGZKTM-DOMZBBRYSA-N 0 3 349.450 2.222 20 10 EECDHN Cc1cc(O)c(CN[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1C ZINC000742390613 577872161 /nfs/dbraw/zinc/87/21/61/577872161.db2.gz JVFFWOWRRDXPFP-XJKSGUPXSA-N 0 3 328.416 2.026 20 10 EECDHN Cc1cc(O)c(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000822210480 599450683 /nfs/dbraw/zinc/45/06/83/599450683.db2.gz DOYJJSYHQFAYKF-UHFFFAOYSA-N 0 3 339.399 2.358 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cscn2)N(C)C)cc1 ZINC000891246938 676242263 /nfs/dbraw/zinc/24/22/63/676242263.db2.gz QYYBGHZZJBRKBP-INIZCTEOSA-N 0 3 332.473 2.171 20 10 EECDHN COCCO[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000894263364 681739071 /nfs/dbraw/zinc/73/90/71/681739071.db2.gz FPUGNUWHZIUXDZ-CQSZACIVSA-N 0 3 325.405 2.037 20 10 EECDHN CN(CCF)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000985816009 687753424 /nfs/dbraw/zinc/75/34/24/687753424.db2.gz SOSGOVYAFMGYDP-UHFFFAOYSA-N 0 3 335.383 2.355 20 10 EECDHN COC[C@]1(CNCc2cc(C)cc(Br)c2[O-])CCC[NH2+]1 ZINC000841067067 693256516 /nfs/dbraw/zinc/25/65/16/693256516.db2.gz JGKQOBQAHKTXJN-OAHLLOKOSA-N 0 3 343.265 2.321 20 10 EECDHN C[C@H]1COCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899099104 693611447 /nfs/dbraw/zinc/61/14/47/693611447.db2.gz VMPAPHPLPOXYJP-QAPCUYQASA-N 0 3 348.491 2.033 20 10 EECDHN Cc1cccc(O)c1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876575856 1199676945 /nfs/dbraw/zinc/67/69/45/1199676945.db2.gz WTXWWQXSZDVEDT-UHFFFAOYSA-N 0 3 328.372 2.326 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC000879959218 1201324510 /nfs/dbraw/zinc/32/45/10/1201324510.db2.gz KRDZOJXQTWJVDB-QGZVFWFLSA-N 0 3 347.503 2.194 20 10 EECDHN CCCN(CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1O ZINC000130718739 1201994038 /nfs/dbraw/zinc/99/40/38/1201994038.db2.gz PJTVPVZGFOPLGA-UHFFFAOYSA-N 0 3 345.399 2.223 20 10 EECDHN CC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nccn1C ZINC000883290018 1202041143 /nfs/dbraw/zinc/04/11/43/1202041143.db2.gz IHHCUBCAUOWWAI-GOSISDBHSA-N 0 3 327.476 2.413 20 10 EECDHN CC(C)NC(=O)N1CC2(C1)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001275821672 1205550993 /nfs/dbraw/zinc/55/09/93/1205550993.db2.gz XILYUKVMOVXAHP-UHFFFAOYSA-N 0 3 333.432 2.114 20 10 EECDHN COc1ccc(N2CCC(NC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC000158842509 1208419327 /nfs/dbraw/zinc/41/93/27/1208419327.db2.gz RNKRBIOWNKKEFI-UHFFFAOYSA-N 0 3 331.460 2.265 20 10 EECDHN CCOc1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c([O-])c1 ZINC000796517521 1220524222 /nfs/dbraw/zinc/52/42/22/1220524222.db2.gz WXLFUMYUBQJFSQ-HNNXBMFYSA-N 0 3 348.365 2.144 20 10 EECDHN CN1CCN(C(=O)CC[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000801517043 1235759894 /nfs/dbraw/zinc/75/98/94/1235759894.db2.gz JQCSQLHZBLCNKE-UHFFFAOYSA-N 0 3 345.487 2.301 20 10 EECDHN CN1CCN(C(=O)CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000801517043 1235759900 /nfs/dbraw/zinc/75/99/00/1235759900.db2.gz JQCSQLHZBLCNKE-UHFFFAOYSA-N 0 3 345.487 2.301 20 10 EECDHN C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000903234495 1240061486 /nfs/dbraw/zinc/06/14/86/1240061486.db2.gz OEVFBRCLEMCMFB-GUTXKFCHSA-N 0 3 326.462 2.151 20 10 EECDHN CN(C)c1ccc(CN(C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000102675101 1284288397 /nfs/dbraw/zinc/28/83/97/1284288397.db2.gz GYLPZOOJPWDOPP-UHFFFAOYSA-N 0 3 337.423 2.481 20 10 EECDHN Cc1cc(O[C@H](C)C2C[NH2+]C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218193081 1297593443 /nfs/dbraw/zinc/59/34/43/1297593443.db2.gz HBEGEXGTSIFFOS-LLVKDONJSA-N 0 3 337.375 2.463 20 10 EECDHN COCCOCN1CC2(C1)CN(Cc1ccc(C(C)C)cc1O)C2 ZINC001276815303 1298507395 /nfs/dbraw/zinc/50/73/95/1298507395.db2.gz RJIHLSHIXVLKKX-UHFFFAOYSA-N 0 3 334.460 2.254 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)N(C)C)C2)c([O-])c1 ZINC001277456406 1303216452 /nfs/dbraw/zinc/21/64/52/1303216452.db2.gz FMNCEJBIEKLCCD-QFBILLFUSA-N 0 3 332.444 2.481 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@]3(CCC[C@H]3C(=O)N(C)C)C2)c([O-])c1 ZINC001277456406 1303216458 /nfs/dbraw/zinc/21/64/58/1303216458.db2.gz FMNCEJBIEKLCCD-QFBILLFUSA-N 0 3 332.444 2.481 20 10 EECDHN C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1[O-] ZINC000783494896 1304287391 /nfs/dbraw/zinc/28/73/91/1304287391.db2.gz QLQRKEDQBSRROO-ZDUSSCGKSA-N 0 3 331.416 2.298 20 10 EECDHN C[C@@H]1CN(Cc2cc(O)c(O)cc2O)CCC[C@]1(O)C(F)(F)F ZINC001233483277 1304477770 /nfs/dbraw/zinc/47/77/70/1304477770.db2.gz TZRPFASVZLHFFJ-YMTOWFKASA-N 0 3 335.322 2.329 20 10 EECDHN CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)c([O-])c1 ZINC001236788888 1305676189 /nfs/dbraw/zinc/67/61/89/1305676189.db2.gz WQYYDAKABPITTE-CRAIPNDOSA-N 0 3 329.400 2.046 20 10 EECDHN CCc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)c([O-])c1 ZINC001236788888 1305676194 /nfs/dbraw/zinc/67/61/94/1305676194.db2.gz WQYYDAKABPITTE-CRAIPNDOSA-N 0 3 329.400 2.046 20 10 EECDHN CCc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c([O-])c1 ZINC001236786611 1305676355 /nfs/dbraw/zinc/67/63/55/1305676355.db2.gz HXYXDDLWOMSYJX-XYJFISCASA-N 0 3 343.427 2.478 20 10 EECDHN CCc1ccc(C[N@H+]2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c([O-])c1 ZINC001236786611 1305676359 /nfs/dbraw/zinc/67/63/59/1305676359.db2.gz HXYXDDLWOMSYJX-XYJFISCASA-N 0 3 343.427 2.478 20 10 EECDHN Cc1cc([O-])c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1Br ZINC001237681478 1306044829 /nfs/dbraw/zinc/04/48/29/1306044829.db2.gz IUBMVZOXSALQGY-BETUJISGSA-N 0 3 325.250 2.457 20 10 EECDHN Cc1cc([O-])c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Br ZINC001237681478 1306044839 /nfs/dbraw/zinc/04/48/39/1306044839.db2.gz IUBMVZOXSALQGY-BETUJISGSA-N 0 3 325.250 2.457 20 10 EECDHN CN(C)[C@@H](CNC(=O)NCc1ccc(N)cc1)Cc1ccccc1 ZINC001120570045 1309616681 /nfs/dbraw/zinc/61/66/81/1309616681.db2.gz BHBUKHZJXTVHLA-GOSISDBHSA-N 0 3 326.444 2.241 20 10 EECDHN NC(=O)c1ccc(OC2CCN(Cc3cc(O)ccc3O)CC2)cc1 ZINC001141161504 1315051753 /nfs/dbraw/zinc/05/17/53/1315051753.db2.gz SHFKKUHPEDOEOK-UHFFFAOYSA-N 0 3 342.395 2.240 20 10 EECDHN CCN1CCN(c2ccc(CNCc3ccc(C)nn3)cc2F)CC1 ZINC000840895710 1315429854 /nfs/dbraw/zinc/42/98/54/1315429854.db2.gz SLVHIUSULCFNOE-UHFFFAOYSA-N 0 3 343.450 2.356 20 10 EECDHN OCc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000842732414 1315763861 /nfs/dbraw/zinc/76/38/61/1315763861.db2.gz NKDFUAYNKNOKJW-UHFFFAOYSA-N 0 3 330.403 2.444 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c([O-])c1 ZINC001249213928 1317025214 /nfs/dbraw/zinc/02/52/14/1317025214.db2.gz CTERREZDNWLCSD-MRXNPFEDSA-N 0 3 333.428 2.356 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c([O-])c1 ZINC001249213928 1317025217 /nfs/dbraw/zinc/02/52/17/1317025217.db2.gz CTERREZDNWLCSD-MRXNPFEDSA-N 0 3 333.428 2.356 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3C[C@@H]4CCNC(=O)[C@@H]4C3)ccc2O1 ZINC001249252884 1317035398 /nfs/dbraw/zinc/03/53/98/1317035398.db2.gz ZEYYYUSACXNFGH-SWLSCSKDSA-N 0 3 328.412 2.144 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3C[C@@H]4CCNC(=O)[C@@H]4C3)ccc2O1 ZINC001249252884 1317035404 /nfs/dbraw/zinc/03/54/04/1317035404.db2.gz ZEYYYUSACXNFGH-SWLSCSKDSA-N 0 3 328.412 2.144 20 10 EECDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001157435635 1318640645 /nfs/dbraw/zinc/64/06/45/1318640645.db2.gz UMAWIVUJTOKQFS-WMLDXEAASA-N 0 3 342.443 2.042 20 10 EECDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001157435635 1318640659 /nfs/dbraw/zinc/64/06/59/1318640659.db2.gz UMAWIVUJTOKQFS-WMLDXEAASA-N 0 3 342.443 2.042 20 10 EECDHN COc1ccc(N2CCN(CCCN=c3ccccn3C)CC2)cc1 ZINC001164327528 1321352460 /nfs/dbraw/zinc/35/24/60/1321352460.db2.gz LABDPUSQWTWFCB-UHFFFAOYSA-N 0 3 340.471 2.147 20 10 EECDHN COc1ccc(C[NH+]2CCC(OCC(=O)N3CCCC3)CC2)c([O-])c1 ZINC001203634947 1321929489 /nfs/dbraw/zinc/92/94/89/1321929489.db2.gz CHAFGVDBUXGCFV-UHFFFAOYSA-N 0 3 348.443 2.004 20 10 EECDHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])Nc1ccc2c(c1)OCCO2 ZINC001308892055 1331607976 /nfs/dbraw/zinc/60/79/76/1331607976.db2.gz VXEXITAZSBBWKF-UHFFFAOYSA-N 0 3 332.331 2.031 20 10 EECDHN COCC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319950194 1332800990 /nfs/dbraw/zinc/80/09/90/1332800990.db2.gz HWDFIQGDNLNIOI-UHFFFAOYSA-N 0 3 335.467 2.436 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@@H](N)C3CCCCC3)CC2)cc1F ZINC001328594783 1334485987 /nfs/dbraw/zinc/48/59/87/1334485987.db2.gz ZYSXHXDLVDKPTB-SFHVURJKSA-N 0 3 349.450 2.391 20 10 EECDHN O=C(NCc1c([O-])cccc1F)c1cnc(CC2CC[NH2+]CC2)s1 ZINC001341123806 1337282432 /nfs/dbraw/zinc/28/24/32/1337282432.db2.gz MKINFDLLKHEOPQ-UHFFFAOYSA-N 0 3 349.431 2.460 20 10 EECDHN CN(C)c1ccc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1F ZINC001610105775 1352163021 /nfs/dbraw/zinc/16/30/21/1352163021.db2.gz WJQCCKHGFBEICM-UHFFFAOYSA-N 0 3 337.439 2.311 20 10 EECDHN Cc1n[nH]c(=O)c(CNCc2ccc(N3CCC(O)CC3)cc2)c1C ZINC001353003754 1338150652 /nfs/dbraw/zinc/15/06/52/1338150652.db2.gz RAUPAOXHNCSISU-UHFFFAOYSA-N 0 3 342.443 2.050 20 10 EECDHN CCOCCN1CCC[C@@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001273958286 1369392686 /nfs/dbraw/zinc/39/26/86/1369392686.db2.gz BEMGQBAIJSEGBW-FQEVSTJZSA-N 0 3 345.487 2.356 20 10 EECDHN COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783523009 1371359367 /nfs/dbraw/zinc/35/93/67/1371359367.db2.gz DISDNALTTSNWLA-YJBOKZPZSA-N 0 3 342.439 2.417 20 10 EECDHN Cc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c([O-])c1 ZINC001140950394 1372726245 /nfs/dbraw/zinc/72/62/45/1372726245.db2.gz RULKLPHTTQZPAO-QZTJIDSGSA-N 0 3 337.423 2.300 20 10 EECDHN CC[C@H](C)C[C@@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000400963937 1409772851 /nfs/dbraw/zinc/77/28/51/1409772851.db2.gz SMPQZFAAMSUSSZ-MAUKXSAKSA-N 0 3 333.476 2.245 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3CCF)C2)cc1 ZINC001036905858 796451264 /nfs/dbraw/zinc/45/12/64/796451264.db2.gz QFCSAQSHESAHPX-ZFWWWQNUSA-N 0 3 347.394 2.355 20 10 EECDHN O=C(NCc1cccc(O)c1O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001528771596 1121163041 /nfs/dbraw/zinc/16/30/41/1121163041.db2.gz QTJCGTYSPHENED-MRXNPFEDSA-N 0 3 341.411 2.021 20 10 EECDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000093017463 237044432 /nfs/dbraw/zinc/04/44/32/237044432.db2.gz NJFSZTPFOFFEEM-MRXNPFEDSA-N 0 3 334.460 2.335 20 10 EECDHN CCOc1cccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000093017463 237044444 /nfs/dbraw/zinc/04/44/44/237044444.db2.gz NJFSZTPFOFFEEM-MRXNPFEDSA-N 0 3 334.460 2.335 20 10 EECDHN COCCOC[C@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000296488436 465210500 /nfs/dbraw/zinc/21/05/00/465210500.db2.gz KXEDLWOXEZJYTI-LJQANCHMSA-N 0 3 336.476 2.133 20 10 EECDHN COc1cccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000005527509 462661758 /nfs/dbraw/zinc/66/17/58/462661758.db2.gz BUHWRFZWBUVJHV-DZGCQCFKSA-N 0 3 326.396 2.182 20 10 EECDHN COc1cccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000005527509 462661762 /nfs/dbraw/zinc/66/17/62/462661762.db2.gz BUHWRFZWBUVJHV-DZGCQCFKSA-N 0 3 326.396 2.182 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)cc1F ZINC000066191382 462862021 /nfs/dbraw/zinc/86/20/21/462862021.db2.gz NUKWOSJGVUUSRO-HNNXBMFYSA-N 0 3 334.439 2.271 20 10 EECDHN CC(C)(NCc1cc2c(cc1O)OCO2)C(=O)NCC1CCCC1 ZINC000136042963 463214920 /nfs/dbraw/zinc/21/49/20/463214920.db2.gz VUNLXIZYCYCHLZ-UHFFFAOYSA-N 0 3 334.416 2.296 20 10 EECDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1C ZINC000042912804 463606192 /nfs/dbraw/zinc/60/61/92/463606192.db2.gz BQLIAUBMIPWKRN-UHFFFAOYSA-N 0 3 332.444 2.080 20 10 EECDHN Cc1cc(N2CC[C@H](N[C@@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186083164 463933285 /nfs/dbraw/zinc/93/32/85/463933285.db2.gz DVKSLANDCIUGJG-ZFWWWQNUSA-N 0 3 328.416 2.199 20 10 EECDHN CCOC(=O)c1nnc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)[n-]1 ZINC000278721433 463977985 /nfs/dbraw/zinc/97/79/85/463977985.db2.gz PSBPWGKJRITPPB-UHFFFAOYSA-N 0 3 344.415 2.375 20 10 EECDHN CCCCOC[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000195126377 463997047 /nfs/dbraw/zinc/99/70/47/463997047.db2.gz KLOPCPZUYUOCMO-LJQANCHMSA-N 0 3 336.476 2.133 20 10 EECDHN CCOc1cccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000269898866 464124213 /nfs/dbraw/zinc/12/42/13/464124213.db2.gz FESZZQPMSRTUJC-SJORKVTESA-N 0 3 331.412 2.365 20 10 EECDHN C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000179886763 464203576 /nfs/dbraw/zinc/20/35/76/464203576.db2.gz GGQQUYRNMNJINJ-INIZCTEOSA-N 0 3 339.439 2.392 20 10 EECDHN Cc1cc(Br)cc(CN2CCC[C@@H](OCCO)C2)c1O ZINC000180175177 464259005 /nfs/dbraw/zinc/25/90/05/464259005.db2.gz JNPYQNIZRODXSL-CQSZACIVSA-N 0 3 344.249 2.436 20 10 EECDHN CCN(Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H]1CCNC1=O ZINC000270818591 464267844 /nfs/dbraw/zinc/26/78/44/464267844.db2.gz YDHKIBREYFGYFB-GOSISDBHSA-N 0 3 331.460 2.012 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c([O-])c1 ZINC000189158182 464447112 /nfs/dbraw/zinc/44/71/12/464447112.db2.gz AURNDIZPVZTBOJ-AWEZNQCLSA-N 0 3 349.452 2.317 20 10 EECDHN COC(=O)CCN(Cc1ccc(N(C)C)c(C)c1)CC(OC)OC ZINC000294601505 464548773 /nfs/dbraw/zinc/54/87/73/464548773.db2.gz NQYBFJWRDXXUCI-UHFFFAOYSA-N 0 3 338.448 2.045 20 10 EECDHN CC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(CC)CC ZINC000265425159 464552587 /nfs/dbraw/zinc/55/25/87/464552587.db2.gz KOGOBQZIZSALLZ-GOSISDBHSA-N 0 3 333.476 2.260 20 10 EECDHN Cc1nc(CC[NH2+][C@H](C)c2ccc(Br)cc2[O-])n[nH]1 ZINC000273444179 464716515 /nfs/dbraw/zinc/71/65/15/464716515.db2.gz NNCIUMSGAJSCTF-MRVPVSSYSA-N 0 3 325.210 2.475 20 10 EECDHN Cc1nnc(CC[NH2+][C@H](C)c2ccc(Br)cc2[O-])[nH]1 ZINC000273444179 464716520 /nfs/dbraw/zinc/71/65/20/464716520.db2.gz NNCIUMSGAJSCTF-MRVPVSSYSA-N 0 3 325.210 2.475 20 10 EECDHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2Cc2ccc(N(C)C)cc2)O1 ZINC000282437729 464819166 /nfs/dbraw/zinc/81/91/66/464819166.db2.gz KUAOJSQLPSNOEE-PILAGYSTSA-N 0 3 332.444 2.436 20 10 EECDHN COc1cc(Cl)cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000360341270 465558372 /nfs/dbraw/zinc/55/83/72/465558372.db2.gz DQPOFKNLNFOTRN-HUUCEWRRSA-N 0 3 340.851 2.085 20 10 EECDHN NC(=O)c1cc(OC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)ccn1 ZINC000368596046 466683470 /nfs/dbraw/zinc/68/34/70/466683470.db2.gz ZKBTYBKYHFFJMJ-UHFFFAOYSA-N 0 3 345.374 2.069 20 10 EECDHN O=C1CCCCN1[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000369279500 466723747 /nfs/dbraw/zinc/72/37/47/466723747.db2.gz XLXVVISRCMSVON-CQSZACIVSA-N 0 3 332.400 2.098 20 10 EECDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000373222529 466733142 /nfs/dbraw/zinc/73/31/42/466733142.db2.gz ZCVUSOTYLFRGLO-UHFFFAOYSA-N 0 3 346.343 2.063 20 10 EECDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(C)cc1[O-] ZINC000373531966 466835649 /nfs/dbraw/zinc/83/56/49/466835649.db2.gz SYZLDVDDNBDHTH-ZUEVXXBESA-N 0 3 345.443 2.462 20 10 EECDHN COC[C@@]1([NH2+]Cc2cc3c(cc2[O-])OCO3)COc2ccccc2C1 ZINC000527801488 467665908 /nfs/dbraw/zinc/66/59/08/467665908.db2.gz SCEZZMWIKPWNOX-LJQANCHMSA-N 0 3 343.379 2.231 20 10 EECDHN COC[C@@]1(NCc2cc3c(cc2O)OCO3)COc2ccccc2C1 ZINC000527801488 467665910 /nfs/dbraw/zinc/66/59/10/467665910.db2.gz SCEZZMWIKPWNOX-LJQANCHMSA-N 0 3 343.379 2.231 20 10 EECDHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000738514032 578017776 /nfs/dbraw/zinc/01/77/76/578017776.db2.gz RXTCVHGDKZUFMQ-ZIAGYGMSSA-N 0 3 337.489 2.084 20 10 EECDHN CCN(CC)c1ccc(CN(C)CCCS(=O)(=O)N(C)C)cc1 ZINC000728688060 576518144 /nfs/dbraw/zinc/51/81/44/576518144.db2.gz CRRJVJZNQRNFOL-UHFFFAOYSA-N 0 3 341.521 2.246 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c([O-])c1 ZINC000769525572 577579714 /nfs/dbraw/zinc/57/97/14/577579714.db2.gz IPWUDOVPQRTNOM-APWZRJJASA-N 0 3 347.503 2.249 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c([O-])c1 ZINC000769525572 577579715 /nfs/dbraw/zinc/57/97/15/577579715.db2.gz IPWUDOVPQRTNOM-APWZRJJASA-N 0 3 347.503 2.249 20 10 EECDHN COCCn1cc(CN(C)c2ccc(OCCN(C)C)cc2)cn1 ZINC000761223863 577679645 /nfs/dbraw/zinc/67/96/45/577679645.db2.gz SQPTTZQDAAMNDZ-UHFFFAOYSA-N 0 3 332.448 2.106 20 10 EECDHN CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000749971305 577985051 /nfs/dbraw/zinc/98/50/51/577985051.db2.gz IAUIIRCXAHECJY-CQSZACIVSA-N 0 3 334.441 2.059 20 10 EECDHN CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000749971305 577985052 /nfs/dbraw/zinc/98/50/52/577985052.db2.gz IAUIIRCXAHECJY-CQSZACIVSA-N 0 3 334.441 2.059 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000891245278 676238075 /nfs/dbraw/zinc/23/80/75/676238075.db2.gz BUAOWPNJYPKYLA-GDAAHCPNSA-N 0 3 345.487 2.287 20 10 EECDHN Cc1ncccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251562 676247830 /nfs/dbraw/zinc/24/78/30/676247830.db2.gz GXRSQZJQYPSZMA-SFHVURJKSA-N 0 3 326.444 2.489 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCCCO2)N(C)C)cc1 ZINC000892323347 678801218 /nfs/dbraw/zinc/80/12/18/678801218.db2.gz ZZMUUHXPZWLFIU-MSOLQXFVSA-N 0 3 348.491 2.224 20 10 EECDHN O=C1NCCN1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895813500 684734108 /nfs/dbraw/zinc/73/41/08/684734108.db2.gz DYROMDIGOWOBJD-UHFFFAOYSA-N 0 3 341.411 2.086 20 10 EECDHN C[C@H]1CCOCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899096098 693601027 /nfs/dbraw/zinc/60/10/27/693601027.db2.gz PNTDIXNAINKKQY-YJBOKZPZSA-N 0 3 348.491 2.176 20 10 EECDHN CCC[C@H](O)[C@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000842227393 1188569964 /nfs/dbraw/zinc/56/99/64/1188569964.db2.gz UVENAMOCNSUNEL-GJZGRUSLSA-N 0 3 334.382 2.383 20 10 EECDHN O=C1CO[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1CC1CCCC1 ZINC001272618095 1190933289 /nfs/dbraw/zinc/93/32/89/1190933289.db2.gz BFVHIBUGDHSAOQ-HXUWFJFHSA-N 0 3 344.455 2.386 20 10 EECDHN O=C1CO[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1CC1CCCC1 ZINC001272618095 1190933291 /nfs/dbraw/zinc/93/32/91/1190933291.db2.gz BFVHIBUGDHSAOQ-HXUWFJFHSA-N 0 3 344.455 2.386 20 10 EECDHN CCCCN1CC[C@]2(CCN(Cc3cc(O)c(O)c(OC)c3)C2)C1=O ZINC001272988733 1194297946 /nfs/dbraw/zinc/29/79/46/1194297946.db2.gz WBLQGFWPUDTUFY-IBGZPJMESA-N 0 3 348.443 2.331 20 10 EECDHN CC(C)CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000876740656 1199750877 /nfs/dbraw/zinc/75/08/77/1199750877.db2.gz KQTRYCJSFOASMZ-MAUKXSAKSA-N 0 3 333.476 2.464 20 10 EECDHN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877673693 1200021671 /nfs/dbraw/zinc/02/16/71/1200021671.db2.gz GZPSBVZBCAKXBM-IBGZPJMESA-N 0 3 345.487 2.138 20 10 EECDHN COc1cccc(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c1O ZINC001275273408 1205295922 /nfs/dbraw/zinc/29/59/22/1205295922.db2.gz OIWXWBZEBOBHLW-CALCHBBNSA-N 0 3 332.444 2.228 20 10 EECDHN CC(=O)c1cc(F)cc(CN2CCC3(CC2)C[C@H](O)CCO3)c1O ZINC000933061089 1207719734 /nfs/dbraw/zinc/71/97/34/1207719734.db2.gz KPRFAYJPSXGLHK-OAHLLOKOSA-N 0 3 337.391 2.240 20 10 EECDHN COCCO[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000800849581 1234672526 /nfs/dbraw/zinc/67/25/26/1234672526.db2.gz FPTSOYUVVMRBSW-AWEZNQCLSA-N 0 3 325.405 2.037 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@H](N)C3CCC3)cc2F)C[C@H](C)O1 ZINC000827365066 1247966601 /nfs/dbraw/zinc/96/66/01/1247966601.db2.gz OMAYXFGHJRCYAS-FHSNZYRGSA-N 0 3 349.450 2.183 20 10 EECDHN COc1cccc([O-])c1C[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000850376544 1277204717 /nfs/dbraw/zinc/20/47/17/1277204717.db2.gz JJBDXNOPVZDGLY-UHFFFAOYSA-N 0 3 327.446 2.238 20 10 EECDHN COC(=O)C1(O)CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC001234569040 1304972735 /nfs/dbraw/zinc/97/27/35/1304972735.db2.gz IXFILYCEJFWGHQ-UHFFFAOYSA-N 0 3 345.395 2.054 20 10 EECDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001211354440 1295837803 /nfs/dbraw/zinc/83/78/03/1295837803.db2.gz PRMQDJMTBKMXSD-LJQANCHMSA-N 0 3 341.455 2.243 20 10 EECDHN Cc1cc(N2CCN(Cc3ccc(C(=O)[O-])cc3O)CC2)cc[nH+]1 ZINC001231453311 1303802362 /nfs/dbraw/zinc/80/23/62/1303802362.db2.gz KWLWXUJUXKBUNX-UHFFFAOYSA-N 0 3 327.384 2.116 20 10 EECDHN CCN(CCNC(=O)OC(C)(C)C)Cc1cc(OC)c(O)cc1O ZINC001231638881 1303875585 /nfs/dbraw/zinc/87/55/85/1303875585.db2.gz IAPLIEGKYBDMJL-UHFFFAOYSA-N 0 3 340.420 2.453 20 10 EECDHN COc1cccc(O[C@@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486912 1304478318 /nfs/dbraw/zinc/47/83/18/1304478318.db2.gz HZGYJZYZCHOUFB-CYBMUJFWSA-N 0 3 346.383 2.250 20 10 EECDHN CC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000796766103 1304575601 /nfs/dbraw/zinc/57/56/01/1304575601.db2.gz SQXDJDDLKRWRPS-CJNGLKHVSA-N 0 3 337.439 2.159 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(CCNC4=O)C3)c2c1 ZINC001234526061 1304952915 /nfs/dbraw/zinc/95/29/15/1304952915.db2.gz PNLMOURRTNZFDQ-IBGZPJMESA-N 0 3 326.396 2.266 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(CCNC4=O)C3)c2c1 ZINC001234526061 1304952920 /nfs/dbraw/zinc/95/29/20/1304952920.db2.gz PNLMOURRTNZFDQ-IBGZPJMESA-N 0 3 326.396 2.266 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@](C)(CO)[C@H](O)C3)c2c1 ZINC001234525223 1304953003 /nfs/dbraw/zinc/95/30/03/1304953003.db2.gz CVQBUFPOTHTWNX-MOPGFXCFSA-N 0 3 331.412 2.119 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@](C)(CO)[C@H](O)C3)c2c1 ZINC001234525223 1304953006 /nfs/dbraw/zinc/95/30/06/1304953006.db2.gz CVQBUFPOTHTWNX-MOPGFXCFSA-N 0 3 331.412 2.119 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001237640882 1306021373 /nfs/dbraw/zinc/02/13/73/1306021373.db2.gz HOALUXYWDGAZKV-KXBFYZLASA-N 0 3 331.387 2.373 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001237640882 1306021382 /nfs/dbraw/zinc/02/13/82/1306021382.db2.gz HOALUXYWDGAZKV-KXBFYZLASA-N 0 3 331.387 2.373 20 10 EECDHN CCC(=O)N(C)C1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237683357 1306044574 /nfs/dbraw/zinc/04/45/74/1306044574.db2.gz GUSCKKLUBILCJZ-UHFFFAOYSA-N 0 3 336.432 2.242 20 10 EECDHN CC(C)(O)CN1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141079098 1315038925 /nfs/dbraw/zinc/03/89/25/1315038925.db2.gz SUBQWUNMJSFQOH-UHFFFAOYSA-N 0 3 343.515 2.274 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CC[NH2+]CC1 ZINC000843063311 1315833322 /nfs/dbraw/zinc/83/33/22/1315833322.db2.gz RGZFRBWFQWLPPI-UHFFFAOYSA-N 0 3 326.824 2.020 20 10 EECDHN [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000843121942 1315847898 /nfs/dbraw/zinc/84/78/98/1315847898.db2.gz MCHQBPHQLJPISW-LLVKDONJSA-N 0 3 343.830 2.004 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC001249171772 1317016959 /nfs/dbraw/zinc/01/69/59/1317016959.db2.gz FLXVFDYWJKVGFS-OAHLLOKOSA-N 0 3 345.399 2.179 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](c3noc(C)n3)C2)c([O-])c1 ZINC001249171772 1317016969 /nfs/dbraw/zinc/01/69/69/1317016969.db2.gz FLXVFDYWJKVGFS-OAHLLOKOSA-N 0 3 345.399 2.179 20 10 EECDHN Cc1nc(NCCc2cc(O)c(O)cc2O)cc(N2CCCC2)n1 ZINC001157240154 1318512328 /nfs/dbraw/zinc/51/23/28/1318512328.db2.gz RSXDKTUUQKLVCA-UHFFFAOYSA-N 0 3 330.388 2.157 20 10 EECDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])CCO[C@@H]2C1 ZINC001203549879 1321910087 /nfs/dbraw/zinc/91/00/87/1321910087.db2.gz AVYAJHNSVWWOFW-DOTOQJQBSA-N 0 3 348.443 2.460 20 10 EECDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])CCO[C@@H]2C1 ZINC001203549879 1321910088 /nfs/dbraw/zinc/91/00/88/1321910088.db2.gz AVYAJHNSVWWOFW-DOTOQJQBSA-N 0 3 348.443 2.460 20 10 EECDHN COc1ccc(C[N@@H+]2CCC[C@@H](Oc3nccc(OC)n3)C2)c([O-])c1 ZINC001203635066 1321929279 /nfs/dbraw/zinc/92/92/79/1321929279.db2.gz JAIYFRMUFGUBHA-OAHLLOKOSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(C[N@H+]2CCC[C@@H](Oc3nccc(OC)n3)C2)c([O-])c1 ZINC001203635066 1321929282 /nfs/dbraw/zinc/92/92/82/1321929282.db2.gz JAIYFRMUFGUBHA-OAHLLOKOSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(CN2CCC[C@@H](Oc3nccc(OC)n3)C2)c(O)c1 ZINC001203635066 1321929284 /nfs/dbraw/zinc/92/92/84/1321929284.db2.gz JAIYFRMUFGUBHA-OAHLLOKOSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c([O-])c1 ZINC001203634966 1321929461 /nfs/dbraw/zinc/92/94/61/1321929461.db2.gz DCOHCSXCOWRPCH-HNNXBMFYSA-N 0 3 345.399 2.161 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c([O-])c1 ZINC001203634966 1321929463 /nfs/dbraw/zinc/92/94/63/1321929463.db2.gz DCOHCSXCOWRPCH-HNNXBMFYSA-N 0 3 345.399 2.161 20 10 EECDHN [O-]c1cc(O)ccc1C[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001204272735 1322098441 /nfs/dbraw/zinc/09/84/41/1322098441.db2.gz HVQFSROAOAPPOM-IRXDYDNUSA-N 0 3 325.412 2.057 20 10 EECDHN COc1ccc(N2CCN(CC(C)(C)N3CCOCC3)CC2)c(C)c1 ZINC001207306011 1323931723 /nfs/dbraw/zinc/93/17/23/1323931723.db2.gz UACLTOSLEVOSRN-UHFFFAOYSA-N 0 3 347.503 2.236 20 10 EECDHN NC(=O)C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000815154337 1367815968 /nfs/dbraw/zinc/81/59/68/1367815968.db2.gz NMJJOIFFWDEGLR-LJQANCHMSA-N 0 3 339.439 2.230 20 10 EECDHN CN(C)c1ccc(CN(C)[C@]2(CO)CCOC2)c(C(F)(F)F)c1 ZINC000862427718 1369535563 /nfs/dbraw/zinc/53/55/63/1369535563.db2.gz DNEWRZLYQMWPRZ-HNNXBMFYSA-N 0 3 332.366 2.355 20 10 EECDHN COc1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)CC2 ZINC000783981476 1371381200 /nfs/dbraw/zinc/38/12/00/1371381200.db2.gz WOSWALHPPFVFTA-IBGZPJMESA-N 0 3 341.407 2.427 20 10 EECDHN COc1ccc2c(c1)CC[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)CC2 ZINC000783981476 1371381203 /nfs/dbraw/zinc/38/12/03/1371381203.db2.gz WOSWALHPPFVFTA-IBGZPJMESA-N 0 3 341.407 2.427 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(OC)c1 ZINC001141026982 1372742313 /nfs/dbraw/zinc/74/23/13/1372742313.db2.gz JDEXWEWSPRBWBX-AWEZNQCLSA-N 0 3 348.443 2.244 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(OC)c1 ZINC001141026982 1372742317 /nfs/dbraw/zinc/74/23/17/1372742317.db2.gz JDEXWEWSPRBWBX-AWEZNQCLSA-N 0 3 348.443 2.244 20 10 EECDHN CCC(=O)N(C)C1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141033049 1372746403 /nfs/dbraw/zinc/74/64/03/1372746403.db2.gz XTJYHENBHHWKJG-UHFFFAOYSA-N 0 3 336.432 2.242 20 10 EECDHN CCC(=O)N(C)C1CC[NH+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141033049 1372746407 /nfs/dbraw/zinc/74/64/07/1372746407.db2.gz XTJYHENBHHWKJG-UHFFFAOYSA-N 0 3 336.432 2.242 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cccc(N)c2)N(C)C)cc1 ZINC001355641759 1373168532 /nfs/dbraw/zinc/16/85/32/1373168532.db2.gz YDQHPMVKTHRBCJ-IBGZPJMESA-N 0 3 340.471 2.296 20 10 EECDHN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3O)CC2)nc1 ZINC000179556723 774071786 /nfs/dbraw/zinc/07/17/86/774071786.db2.gz OCMSOUYDFRXEJJ-UHFFFAOYSA-N 0 3 341.411 2.286 20 10 EECDHN Cc1ccc(N2CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC2)nn1 ZINC001089840222 777606365 /nfs/dbraw/zinc/60/63/65/777606365.db2.gz IYUBCKGQIIDLTC-SFHVURJKSA-N 0 3 345.491 2.014 20 10 EECDHN CCN(C)C(C)(C)C(=O)NCCC1=CCN(c2cc(C)ncn2)CC1 ZINC001089848513 777997341 /nfs/dbraw/zinc/99/73/41/777997341.db2.gz GYIYUZAYSYLJRS-UHFFFAOYSA-N 0 3 345.491 2.158 20 10 EECDHN COCCN(C)C[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000846805502 790625934 /nfs/dbraw/zinc/62/59/34/790625934.db2.gz XNPOGLHZSWRXBO-GOSISDBHSA-N 0 3 336.476 2.076 20 10 EECDHN COCCN(C)C[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000846805502 790625939 /nfs/dbraw/zinc/62/59/39/790625939.db2.gz XNPOGLHZSWRXBO-GOSISDBHSA-N 0 3 336.476 2.076 20 10 EECDHN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnccc1N ZINC000817935332 785080277 /nfs/dbraw/zinc/08/02/77/785080277.db2.gz MZABEBPSTFSKTJ-LBPRGKRZSA-N 0 3 348.397 2.460 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCCC[C@H]3C)CC2)cc1 ZINC000009998333 785688333 /nfs/dbraw/zinc/68/83/33/785688333.db2.gz CFRFPEXCUIEGEO-MRXNPFEDSA-N 0 3 331.460 2.218 20 10 EECDHN Nc1ccc(CC(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1 ZINC000844170115 788883517 /nfs/dbraw/zinc/88/35/17/788883517.db2.gz FTRMJCAORGUMEB-UHFFFAOYSA-N 0 3 339.439 2.407 20 10 EECDHN COc1ccc(N(C)CCN(C)Cc2cccc(C(N)=O)c2)cc1 ZINC000844399454 789066787 /nfs/dbraw/zinc/06/67/87/789066787.db2.gz JZBXMFHIOGNEQH-UHFFFAOYSA-N 0 3 327.428 2.362 20 10 EECDHN CCOC[C@@H]1CN(Cc2c(O)cc(O)cc2O)Cc2c1cnn2CC ZINC001144510001 789910336 /nfs/dbraw/zinc/91/03/36/789910336.db2.gz PNWOMTAUALEZKV-LBPRGKRZSA-N 0 3 347.415 2.156 20 10 EECDHN CC[C@H]1C[NH2+]CCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001235774849 796570432 /nfs/dbraw/zinc/57/04/32/796570432.db2.gz ULCZBKCIYKXARU-NSHDSACASA-N 0 3 329.238 2.347 20 10 EECDHN COc1ccc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c(OC)c1 ZINC001169042496 803583765 /nfs/dbraw/zinc/58/37/65/803583765.db2.gz FBUKXXIYOBFCTK-GJZGRUSLSA-N 0 3 349.431 2.271 20 10 EECDHN CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@H]1CCCN(C)C1 ZINC000153915643 462707498 /nfs/dbraw/zinc/70/74/98/462707498.db2.gz BAMMTTSHIODJDS-VQFGERMISA-N 0 3 343.471 2.089 20 10 EECDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000126718852 463658635 /nfs/dbraw/zinc/65/86/35/463658635.db2.gz BSZXTFLIVATHFP-GOEBONIOSA-N 0 3 349.450 2.324 20 10 EECDHN CC(C)(N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000269261379 463932741 /nfs/dbraw/zinc/93/27/41/463932741.db2.gz MQEXOKGMMSNVKK-LLVKDONJSA-N 0 3 327.375 2.110 20 10 EECDHN CN(Cc1cccs1)c1ccc(CN2CCN(CCO)CC2)cc1 ZINC000294493775 464516141 /nfs/dbraw/zinc/51/61/41/464516141.db2.gz AETQCRGDAOMFDT-UHFFFAOYSA-N 0 3 345.512 2.494 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CC[C@@](COC)(C(=O)OC)C2)c([O-])c1 ZINC000295079885 464698426 /nfs/dbraw/zinc/69/84/26/464698426.db2.gz QFPFBLIZGFOLTP-GOSISDBHSA-N 0 3 337.416 2.193 20 10 EECDHN CCCOc1ccc(C[N@H+]2CC[C@@](COC)(C(=O)OC)C2)c([O-])c1 ZINC000295079885 464698432 /nfs/dbraw/zinc/69/84/32/464698432.db2.gz QFPFBLIZGFOLTP-GOSISDBHSA-N 0 3 337.416 2.193 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c([O-])c1C ZINC000273467051 464717066 /nfs/dbraw/zinc/71/70/66/464717066.db2.gz DXRAETHHMAIQRM-OAHLLOKOSA-N 0 3 333.476 2.212 20 10 EECDHN CCOc1ccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c([O-])c1 ZINC000529663969 467891888 /nfs/dbraw/zinc/89/18/88/467891888.db2.gz OSMCTFADBODHHI-UHFFFAOYSA-N 0 3 334.460 2.478 20 10 EECDHN CCN1CCC[C@@H]1CNC(=S)N[C@H](C)c1cc(OC)ccc1O ZINC000728792518 576529705 /nfs/dbraw/zinc/52/97/05/576529705.db2.gz LFCQXBADIYBAOS-CHWSQXEVSA-N 0 3 337.489 2.410 20 10 EECDHN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000774482441 577400668 /nfs/dbraw/zinc/40/06/68/577400668.db2.gz KRFOTIZWBSKZTJ-OLZOCXBDSA-N 0 3 334.464 2.416 20 10 EECDHN CC(C)[C@H](C)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256989 577433884 /nfs/dbraw/zinc/43/38/84/577433884.db2.gz CFNUUCUBCPKPBA-HOTGVXAUSA-N 0 3 333.476 2.335 20 10 EECDHN C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1ccc(N(C)C)cc1 ZINC000775641593 577441592 /nfs/dbraw/zinc/44/15/92/577441592.db2.gz RGVPMDPZDSJSFC-CQSZACIVSA-N 0 3 344.463 2.393 20 10 EECDHN CCc1nncn1CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766313652 577517122 /nfs/dbraw/zinc/51/71/22/577517122.db2.gz JUZHGPVMFXOZSK-AWEZNQCLSA-N 0 3 347.438 2.167 20 10 EECDHN CCCC(=O)NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768880653 577564906 /nfs/dbraw/zinc/56/49/06/577564906.db2.gz GXEBXEVLWXPETK-UHFFFAOYSA-N 0 3 345.487 2.404 20 10 EECDHN CN1CC[C@](O)(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000762790312 577707813 /nfs/dbraw/zinc/70/78/13/577707813.db2.gz FNIKHTBBRWEDJL-FQEVSTJZSA-N 0 3 342.439 2.127 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)C[C@H]3C)CC2)cc1 ZINC000740882422 578108653 /nfs/dbraw/zinc/10/86/53/578108653.db2.gz IRDGSAVFJOGVHL-HZPDHXFCSA-N 0 3 331.460 2.074 20 10 EECDHN C[C@@H]1COCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247544 676242104 /nfs/dbraw/zinc/24/21/04/676242104.db2.gz IDEXQXFBHYWNKX-JLSDUUJJSA-N 0 3 333.476 2.144 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cn2cc(Cl)cn2)N(C)C)cc1 ZINC000891247878 676243023 /nfs/dbraw/zinc/24/30/23/676243023.db2.gz LCAKRTGAHPJTRV-MRXNPFEDSA-N 0 3 349.866 2.022 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C2SCCS2)N(C)C)cc1 ZINC000891251093 676247495 /nfs/dbraw/zinc/24/74/95/676247495.db2.gz DRFLCYUYOWSKQO-CQSZACIVSA-N 0 3 339.530 2.278 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C/C2CCOCC2)N(C)C)cc1 ZINC000891254171 676250783 /nfs/dbraw/zinc/25/07/83/676250783.db2.gz WWEARLSEODEAPL-GSXXRBPTSA-N 0 3 345.487 2.454 20 10 EECDHN CCc1ncncc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254948 676250872 /nfs/dbraw/zinc/25/08/72/676250872.db2.gz KRCQDOHWKVFSAE-GOSISDBHSA-N 0 3 341.459 2.138 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccoc2)N(C)C)cc1 ZINC000892308168 678673832 /nfs/dbraw/zinc/67/38/32/678673832.db2.gz SZHMTIHLGAZDFD-KRWDZBQOSA-N 0 3 330.432 2.448 20 10 EECDHN CCN1CCN(c2ccc(CNc3nc(C)cc(N)n3)cc2F)CC1 ZINC000892402865 679628655 /nfs/dbraw/zinc/62/86/55/679628655.db2.gz TWMHLKGZPVLXOH-UHFFFAOYSA-N 0 3 344.438 2.260 20 10 EECDHN CC(=O)OC[C@@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892621554 681992078 /nfs/dbraw/zinc/99/20/78/681992078.db2.gz KYXOGUPIFPWRKK-MCIONIFRSA-N 0 3 338.423 2.481 20 10 EECDHN COC(=O)c1c(CN[C@H]2C[C@H](O)C2(C)C)c2cc(F)ccc2n1C ZINC000894494577 682930172 /nfs/dbraw/zinc/93/01/72/682930172.db2.gz OUPNFJCSHSZJSB-GJZGRUSLSA-N 0 3 334.391 2.353 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000893054446 683652182 /nfs/dbraw/zinc/65/21/82/683652182.db2.gz XFQOSUWGLFIUKJ-ZWKOTPCHSA-N 0 3 330.476 2.439 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCSC2)N(C)C)cc1 ZINC000893296467 684564701 /nfs/dbraw/zinc/56/47/01/684564701.db2.gz TYIVNRRZFITLKU-HOCLYGCPSA-N 0 3 336.505 2.160 20 10 EECDHN CCO/C=C/[C@@](O)(CNCc1c(O)cccc1OC)C(F)(F)F ZINC000895705937 684690688 /nfs/dbraw/zinc/69/06/88/684690688.db2.gz DARUYLUIVMVRJU-HSBSLETESA-N 0 3 335.322 2.334 20 10 EECDHN NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000897058449 686085608 /nfs/dbraw/zinc/08/56/08/686085608.db2.gz PBOVACKGQUGYKW-AWEZNQCLSA-N 0 3 346.452 2.170 20 10 EECDHN NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000897058449 686085609 /nfs/dbraw/zinc/08/56/09/686085609.db2.gz PBOVACKGQUGYKW-AWEZNQCLSA-N 0 3 346.452 2.170 20 10 EECDHN CCOCCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105490 693607982 /nfs/dbraw/zinc/60/79/82/693607982.db2.gz XODOJVIWQWORDN-KRWDZBQOSA-N 0 3 336.480 2.033 20 10 EECDHN O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001270069743 1184825234 /nfs/dbraw/zinc/82/52/34/1184825234.db2.gz PIQLDPVXMRZOBR-KBPBESRZSA-N 0 3 332.400 2.035 20 10 EECDHN O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001270069743 1184825236 /nfs/dbraw/zinc/82/52/36/1184825236.db2.gz PIQLDPVXMRZOBR-KBPBESRZSA-N 0 3 332.400 2.035 20 10 EECDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000842227391 1188570025 /nfs/dbraw/zinc/57/00/25/1188570025.db2.gz UVENAMOCNSUNEL-CABCVRRESA-N 0 3 334.382 2.383 20 10 EECDHN O=C1CO[C@@]2(CCN(Cc3cc(F)ccc3O)C2)CN1C1CCCC1 ZINC001273284432 1197953424 /nfs/dbraw/zinc/95/34/24/1197953424.db2.gz IKWZUQRUAVRYQI-LJQANCHMSA-N 0 3 348.418 2.277 20 10 EECDHN O=C1CO[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)CN1C1CCCC1 ZINC001273284432 1197953432 /nfs/dbraw/zinc/95/34/32/1197953432.db2.gz IKWZUQRUAVRYQI-LJQANCHMSA-N 0 3 348.418 2.277 20 10 EECDHN O=C1CO[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)CN1C1CCCC1 ZINC001273284432 1197953437 /nfs/dbraw/zinc/95/34/37/1197953437.db2.gz IKWZUQRUAVRYQI-LJQANCHMSA-N 0 3 348.418 2.277 20 10 EECDHN COc1ccc(N2CCN(CCCn3ccnc3C)CC2)c(OC)c1 ZINC000879462972 1201081056 /nfs/dbraw/zinc/08/10/56/1201081056.db2.gz XEMSNZNFAVIUAJ-UHFFFAOYSA-N 0 3 344.459 2.421 20 10 EECDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000879648345 1201193164 /nfs/dbraw/zinc/19/31/64/1201193164.db2.gz KSLOMIPTMJVDGG-CYBMUJFWSA-N 0 3 341.411 2.383 20 10 EECDHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868358267 1201797599 /nfs/dbraw/zinc/79/75/99/1201797599.db2.gz NXCWCDOKRWVYJH-JKSUJKDBSA-N 0 3 348.491 2.026 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001273984553 1202211018 /nfs/dbraw/zinc/21/10/18/1202211018.db2.gz JUADXLBWKLNZDY-MGPUTAFESA-N 0 3 343.471 2.155 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302229 1204990775 /nfs/dbraw/zinc/99/07/75/1204990775.db2.gz YSMBKRKXKKYQPV-IFXJQAMLSA-N 0 3 330.428 2.103 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302229 1204990778 /nfs/dbraw/zinc/99/07/78/1204990778.db2.gz YSMBKRKXKKYQPV-IFXJQAMLSA-N 0 3 330.428 2.103 20 10 EECDHN CC(C)=CCN1CC[C@@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274837102 1205180037 /nfs/dbraw/zinc/18/00/37/1205180037.db2.gz SMJODMSDKUFRQZ-LJQANCHMSA-N 0 3 346.427 2.194 20 10 EECDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(O)c1O ZINC000189925117 1209368934 /nfs/dbraw/zinc/36/89/34/1209368934.db2.gz YUKNBPNLKFIOEI-CJNGLKHVSA-N 0 3 326.396 2.348 20 10 EECDHN CCN1CCCC[C@@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084814451 1211578428 /nfs/dbraw/zinc/57/84/28/1211578428.db2.gz AXNUNWMUVXWGTQ-QGZVFWFLSA-N 0 3 349.450 2.357 20 10 EECDHN C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cc(CO)on1 ZINC000903448984 1240497810 /nfs/dbraw/zinc/49/78/10/1240497810.db2.gz UYHMZTQOAYGTKU-FZKQIMNGSA-N 0 3 332.448 2.186 20 10 EECDHN COc1cc(CNCC2(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850281323 1277137106 /nfs/dbraw/zinc/13/71/06/1277137106.db2.gz HVCOHMADQCGAJZ-UHFFFAOYSA-N 0 3 341.473 2.365 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C[C@H]4C[C@@H]3C[NH2+]4)cccc21 ZINC001218142302 1297582604 /nfs/dbraw/zinc/58/26/04/1297582604.db2.gz UICODPXTMCWFPD-UVWXRNBGSA-N 0 3 335.359 2.297 20 10 EECDHN COC(=O)[C@@H]1CNCCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001222413941 1299556314 /nfs/dbraw/zinc/55/63/14/1299556314.db2.gz GMBORNSYFMOZGA-SFHVURJKSA-N 0 3 327.428 2.041 20 10 EECDHN Cn1ccnc1NC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277440869 1303026761 /nfs/dbraw/zinc/02/67/61/1303026761.db2.gz GLQQDIDIQQLLRP-OAHLLOKOSA-N 0 3 340.427 2.367 20 10 EECDHN COc1cc(CN2CC[C@@H](Oc3ncccc3C)C2)c(O)cc1O ZINC001231639182 1303875528 /nfs/dbraw/zinc/87/55/28/1303875528.db2.gz DXBUFXGYYZQOJR-CQSZACIVSA-N 0 3 330.384 2.463 20 10 EECDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N[C@@H](C)c3ncc[nH]3)C2)c([O-])c1 ZINC001277567383 1303920190 /nfs/dbraw/zinc/92/01/90/1303920190.db2.gz GIYYYUXLNZTWEH-ZBQZNYHESA-N 0 3 340.427 2.123 20 10 EECDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N[C@@H](C)c3ncc[nH]3)C2)c([O-])c1 ZINC001277567383 1303920193 /nfs/dbraw/zinc/92/01/93/1303920193.db2.gz GIYYYUXLNZTWEH-ZBQZNYHESA-N 0 3 340.427 2.123 20 10 EECDHN COCCN(Cc1c([O-])cccc1Br)[C@@H]1CCC[NH2+]C1 ZINC001236331108 1305561258 /nfs/dbraw/zinc/56/12/58/1305561258.db2.gz NYMYFEKEBZGKGL-GFCCVEGCSA-N 0 3 343.265 2.355 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(OC)cn3)C2)c([O-])c1 ZINC001236789383 1305677207 /nfs/dbraw/zinc/67/72/07/1305677207.db2.gz WGDJTHOIEUDTBJ-HNNXBMFYSA-N 0 3 329.400 2.407 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@H](Oc3ncc(OC)cn3)C2)c([O-])c1 ZINC001236789383 1305677215 /nfs/dbraw/zinc/67/72/15/1305677215.db2.gz WGDJTHOIEUDTBJ-HNNXBMFYSA-N 0 3 329.400 2.407 20 10 EECDHN CC[C@H](N)C[N@H+](C)Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001236883866 1305708445 /nfs/dbraw/zinc/70/84/45/1305708445.db2.gz GRUGCRTWJRBGKL-NSHDSACASA-N 0 3 345.237 2.110 20 10 EECDHN CC[C@H](N)C[N@@H+](C)Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001236883866 1305708455 /nfs/dbraw/zinc/70/84/55/1305708455.db2.gz GRUGCRTWJRBGKL-NSHDSACASA-N 0 3 345.237 2.110 20 10 EECDHN CN1CC2(C1)CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C2 ZINC001237061778 1305782352 /nfs/dbraw/zinc/78/23/52/1305782352.db2.gz KEHYUHCMIJTKLC-UHFFFAOYSA-N 0 3 330.350 2.471 20 10 EECDHN CN1CC2(C1)CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C2 ZINC001237061778 1305782357 /nfs/dbraw/zinc/78/23/57/1305782357.db2.gz KEHYUHCMIJTKLC-UHFFFAOYSA-N 0 3 330.350 2.471 20 10 EECDHN COC(=O)[C@H]1CCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237677398 1306040649 /nfs/dbraw/zinc/04/06/49/1306040649.db2.gz MOWKPAJUAZWVIF-JTQLQIEISA-N 0 3 328.206 2.458 20 10 EECDHN Cc1noc(C[C@H]2C[C@H]3CN(Cc4cc(F)cc(C)c4O)C[C@H]3O2)n1 ZINC001238061003 1306204920 /nfs/dbraw/zinc/20/49/20/1306204920.db2.gz MEDLIIGIMJJEHR-APHBMKBZSA-N 0 3 347.390 2.363 20 10 EECDHN O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1[O-])N1CC=CC1 ZINC001278256640 1308922667 /nfs/dbraw/zinc/92/26/67/1308922667.db2.gz JFGOPPVRQWKNPA-XLQHLMKVSA-N 0 3 330.403 2.434 20 10 EECDHN CN1CCN(c2ncc(CN3CCc4cccc(O)c4C3)s2)CC1 ZINC001139325353 1314731856 /nfs/dbraw/zinc/73/18/56/1314731856.db2.gz LFLBBNJFAXKHSG-UHFFFAOYSA-N 0 3 344.484 2.159 20 10 EECDHN O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cc(F)ccc2[O-])N1Cc1cccnc1 ZINC001140063233 1314806639 /nfs/dbraw/zinc/80/66/39/1314806639.db2.gz NVIXPBZBQILKHF-DLBZAZTESA-N 0 3 341.386 2.302 20 10 EECDHN O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cc(F)ccc2[O-])N1Cc1cccnc1 ZINC001140063233 1314806643 /nfs/dbraw/zinc/80/66/43/1314806643.db2.gz NVIXPBZBQILKHF-DLBZAZTESA-N 0 3 341.386 2.302 20 10 EECDHN O=C(NC[C@@H]1CNCCO1)N(Cc1ccccc1O)C1CCCCC1 ZINC000842012190 1315651393 /nfs/dbraw/zinc/65/13/93/1315651393.db2.gz VHALSBKEVODRDD-KRWDZBQOSA-N 0 3 347.459 2.225 20 10 EECDHN COC(=O)[C@H]1C[C@@H](O)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843435421 1315915212 /nfs/dbraw/zinc/91/52/12/1315915212.db2.gz UGYCILOJAKDTIW-FUHWJXTLSA-N 0 3 332.444 2.033 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c([O-])c1 ZINC001249207341 1317022652 /nfs/dbraw/zinc/02/26/52/1317022652.db2.gz CDXSUWAADOWBGC-OAHLLOKOSA-N 0 3 337.391 2.201 20 10 EECDHN CCN(CC)C[C@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001253206346 1317797151 /nfs/dbraw/zinc/79/71/51/1317797151.db2.gz MNXJNXBNVARRGO-CYBMUJFWSA-N 0 3 337.851 2.386 20 10 EECDHN O=C(c1ccccc1)N1C[C@H]2C[NH+](Cc3ccc(O)cc3[O-])C[C@@H]2C1 ZINC001204273257 1322098763 /nfs/dbraw/zinc/09/87/63/1322098763.db2.gz MBNWQLGRTSBMHP-IAGOWNOFSA-N 0 3 338.407 2.302 20 10 EECDHN CCNC(=O)CO[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321056 1322111927 /nfs/dbraw/zinc/11/19/27/1322111927.db2.gz FVQSSVLERIJTRR-IBGZPJMESA-N 0 3 345.487 2.404 20 10 EECDHN COc1ccc(N2CCN(C[C@@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC001208956579 1324736439 /nfs/dbraw/zinc/73/64/39/1324736439.db2.gz BRLSBHBWBLSXFN-KRWDZBQOSA-N 0 3 331.460 2.076 20 10 EECDHN CCOC(=O)c1c(CN2CCNC[C@@H](F)C2)c2ccccc2n1C ZINC001210609397 1325351771 /nfs/dbraw/zinc/35/17/71/1325351771.db2.gz GRIRVLLIZALEHB-CYBMUJFWSA-N 0 3 333.407 2.098 20 10 EECDHN CO[C@@H](CNCc1ccc(N2CCN(C)CC2)c(F)c1)C(F)(F)F ZINC001318567484 1332561866 /nfs/dbraw/zinc/56/18/66/1332561866.db2.gz YTQYISSMJRWQNO-HNNXBMFYSA-N 0 3 349.372 2.244 20 10 EECDHN COc1ccc(CNC2CN(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC001334185635 1336218885 /nfs/dbraw/zinc/21/88/85/1336218885.db2.gz DMWDQLZMOYLJCD-UHFFFAOYSA-N 0 3 338.404 2.118 20 10 EECDHN COC[C@@]1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCCCN1 ZINC001578976043 1344326029 /nfs/dbraw/zinc/32/60/29/1344326029.db2.gz YYZNBSHIBHIXKW-OXQOHEQNSA-N 0 3 347.503 2.267 20 10 EECDHN Cc1cc(CN2CC[C@H]3O[C@H](C(=O)NC(C)C)C[C@H]32)ccc1N(C)C ZINC001139670980 1372233072 /nfs/dbraw/zinc/23/30/72/1372233072.db2.gz JPWIVJDRMOSBST-QRVBRYPASA-N 0 3 345.487 2.317 20 10 EECDHN CCN1C[C@H]2C[NH+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C[C@@H]2C1 ZINC001139130016 1372463636 /nfs/dbraw/zinc/46/36/36/1372463636.db2.gz NREDZHGESLMADI-KBPBESRZSA-N 0 3 328.412 2.191 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(OC)c1 ZINC001141028106 1372743077 /nfs/dbraw/zinc/74/30/77/1372743077.db2.gz BKGLJGOOZQHJLW-UHFFFAOYSA-N 0 3 348.443 2.244 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)c2c1 ZINC000172960153 1405743282 /nfs/dbraw/zinc/74/32/82/1405743282.db2.gz VQRLUMVWEBJOLT-MRXNPFEDSA-N 0 3 342.439 2.461 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](N4CCOCC4)C3)c2c1 ZINC000172960153 1405743287 /nfs/dbraw/zinc/74/32/87/1405743287.db2.gz VQRLUMVWEBJOLT-MRXNPFEDSA-N 0 3 342.439 2.461 20 10 EECDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000799724810 757002394 /nfs/dbraw/zinc/00/23/94/757002394.db2.gz AKXWPAQQTBUNDZ-GFCCVEGCSA-N 0 3 327.419 2.347 20 10 EECDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)N(C)C ZINC000106459191 776307029 /nfs/dbraw/zinc/30/70/29/776307029.db2.gz HJDPJYBPOUDKNR-QGZVFWFLSA-N 0 3 335.517 2.442 20 10 EECDHN CC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)[S@]1=O ZINC000809700844 783291533 /nfs/dbraw/zinc/29/15/33/783291533.db2.gz PFHHYIKSGMZOKX-LSRZYVKLSA-N 0 3 349.544 2.170 20 10 EECDHN Oc1cc(O)c(CN2CCN(c3nc4ccccc4o3)CC2)c(O)c1 ZINC001144508920 789909614 /nfs/dbraw/zinc/90/96/14/789909614.db2.gz DIXYNMWRBJPFHN-UHFFFAOYSA-N 0 3 341.367 2.267 20 10 EECDHN COc1ccc(CNCc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000786827131 806894186 /nfs/dbraw/zinc/89/41/86/806894186.db2.gz KMYSJQHQMPNJSC-UHFFFAOYSA-N 0 3 327.427 2.156 20 10 EECDHN CCOCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000790760548 808886971 /nfs/dbraw/zinc/88/69/71/808886971.db2.gz NOAOEMSSSFWJDL-BZPMIXESSA-N 0 3 327.396 2.083 20 10 EECDHN CN(C)S(=O)(=O)c1cccc(CN(C)Cc2ccccc2O)c1 ZINC000109770231 237132498 /nfs/dbraw/zinc/13/24/98/237132498.db2.gz NCXDOLIABCJSJA-UHFFFAOYSA-N 0 3 334.441 2.275 20 10 EECDHN CN1CC[C@]2(CCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)C1 ZINC000291797982 277184854 /nfs/dbraw/zinc/18/48/54/277184854.db2.gz JGZQOJPZFARDTL-FQEVSTJZSA-N 0 3 342.487 2.306 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1 ZINC000185255540 463788585 /nfs/dbraw/zinc/78/85/85/463788585.db2.gz PUNOJEQKZHGHGM-ZDUSSCGKSA-N 0 3 326.462 2.023 20 10 EECDHN Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2=O)n(C)n1 ZINC000186083465 463934179 /nfs/dbraw/zinc/93/41/79/463934179.db2.gz GPNFLWNZKMQRAB-HIFRSBDPSA-N 0 3 328.416 2.199 20 10 EECDHN COC[C@@H](C)OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000278479717 463966221 /nfs/dbraw/zinc/96/62/21/463966221.db2.gz AKKPQBRFDBYCIT-BEFAXECRSA-N 0 3 336.476 2.129 20 10 EECDHN COC[C@H](C)OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000278479721 463966449 /nfs/dbraw/zinc/96/64/49/463966449.db2.gz AKKPQBRFDBYCIT-HNAYVOBHSA-N 0 3 336.476 2.129 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](C3CC3)C1)cc2=O ZINC000289350295 464074752 /nfs/dbraw/zinc/07/47/52/464074752.db2.gz GAUPEIXGNIOUOY-ZDUSSCGKSA-N 0 3 344.415 2.234 20 10 EECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1C ZINC000284415726 464183964 /nfs/dbraw/zinc/18/39/64/464183964.db2.gz CLJJCXAEWHIHER-DNVCBOLYSA-N 0 3 342.443 2.194 20 10 EECDHN CC(C)OCCOC[C@@H](O)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271128391 464282469 /nfs/dbraw/zinc/28/24/69/464282469.db2.gz ISJHUMMIEPIJQF-INIZCTEOSA-N 0 3 342.455 2.126 20 10 EECDHN Nc1ccc(CC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000237898454 464398289 /nfs/dbraw/zinc/39/82/89/464398289.db2.gz AUQMGLUYCKOMHL-UHFFFAOYSA-N 0 3 333.501 2.289 20 10 EECDHN Cc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000189170125 464449720 /nfs/dbraw/zinc/44/97/20/464449720.db2.gz ZODKTGYLTYULRJ-AWEZNQCLSA-N 0 3 349.452 2.317 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](CCO)C(C)(C)C)cc1 ZINC000181487632 464495799 /nfs/dbraw/zinc/49/57/99/464495799.db2.gz VEYMYGDRBFLXBC-KRWDZBQOSA-N 0 3 335.492 2.098 20 10 EECDHN C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000285499314 464585799 /nfs/dbraw/zinc/58/57/99/464585799.db2.gz AGBADUIMCYAYCB-HZMBPMFUSA-N 0 3 336.329 2.445 20 10 EECDHN O=C1CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCN1 ZINC000295002254 464675558 /nfs/dbraw/zinc/67/55/58/464675558.db2.gz RYIYVBFBLFULRD-DOTOQJQBSA-N 0 3 332.444 2.290 20 10 EECDHN O=C1CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCN1 ZINC000295002254 464675561 /nfs/dbraw/zinc/67/55/61/464675561.db2.gz RYIYVBFBLFULRD-DOTOQJQBSA-N 0 3 332.444 2.290 20 10 EECDHN c1cc(N2CCOCC2)ccc1CNC[C@H]1COC2(CCCC2)O1 ZINC000360054107 465526514 /nfs/dbraw/zinc/52/65/14/465526514.db2.gz AJDDLYHNVLORDH-SFHVURJKSA-N 0 3 332.444 2.299 20 10 EECDHN CCOCc1cc(CN[C@@H]2CCN(c3cnn(C)c3)C2)ccc1OC ZINC000377718823 467125862 /nfs/dbraw/zinc/12/58/62/467125862.db2.gz HCFWWABEUOLJTA-QGZVFWFLSA-N 0 3 344.459 2.334 20 10 EECDHN COC(=O)CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])CC(C)C ZINC000891706425 676795818 /nfs/dbraw/zinc/79/58/18/676795818.db2.gz PBWPAWPRNJNZML-UHFFFAOYSA-N 0 3 325.405 2.431 20 10 EECDHN COC(=O)CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])CC(C)C ZINC000891706425 676795822 /nfs/dbraw/zinc/79/58/22/676795822.db2.gz PBWPAWPRNJNZML-UHFFFAOYSA-N 0 3 325.405 2.431 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(=O)NC2CCCCC2)c1 ZINC000775371137 577436089 /nfs/dbraw/zinc/43/60/89/577436089.db2.gz UKRSXEOOFFDWCQ-GFCCVEGCSA-N 0 3 349.431 2.210 20 10 EECDHN CC[C@H]1[C@H](C)CCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000775783787 577445524 /nfs/dbraw/zinc/44/55/24/577445524.db2.gz VITLWMIVDVDYGX-APWZRJJASA-N 0 3 345.487 2.464 20 10 EECDHN C[C@H](NCC(=O)NC(=O)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000775832743 577446848 /nfs/dbraw/zinc/44/68/48/577446848.db2.gz BCIZZCIQCWKCOG-ZDUSSCGKSA-N 0 3 344.415 2.022 20 10 EECDHN COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCSC2)c1[O-] ZINC000176758354 678786703 /nfs/dbraw/zinc/78/67/03/678786703.db2.gz POTGRGLGWLTYNQ-CYBMUJFWSA-N 0 3 348.262 2.121 20 10 EECDHN Cc1ncc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891245746 676239060 /nfs/dbraw/zinc/23/90/60/676239060.db2.gz IPJXMZGVQZIRIV-QGZVFWFLSA-N 0 3 330.432 2.011 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cncs2)N(C)C)cc1 ZINC000891246770 676239916 /nfs/dbraw/zinc/23/99/16/676239916.db2.gz DELLLGPNUOULKA-INIZCTEOSA-N 0 3 332.473 2.171 20 10 EECDHN C[C@@H]1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000891249728 676244695 /nfs/dbraw/zinc/24/46/95/676244695.db2.gz VZQDVNVKJXEJSO-QGPMSJSTSA-N 0 3 333.476 2.287 20 10 EECDHN Cn1cc(CNCc2ccc(N3CCOCC3)cc2)c(C2CC2)n1 ZINC000892667814 682180976 /nfs/dbraw/zinc/18/09/76/682180976.db2.gz BSEZVNMFZXYJPX-UHFFFAOYSA-N 0 3 326.444 2.424 20 10 EECDHN CN1CC[C@@]2(CCCN(Cc3ccc4c(c3)OCCN4C)CC2)C1=O ZINC001272385825 1190795868 /nfs/dbraw/zinc/79/58/68/1190795868.db2.gz FSRUJMIPQPSFBQ-HXUWFJFHSA-N 0 3 343.471 2.350 20 10 EECDHN O=C(CNCc1ccc(N2CCC(O)CC2)cc1)NC1CCCCC1 ZINC000877010347 1199843397 /nfs/dbraw/zinc/84/33/97/1199843397.db2.gz VMXLGLXSFORPJI-UHFFFAOYSA-N 0 3 345.487 2.186 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099391 1204370384 /nfs/dbraw/zinc/37/03/84/1204370384.db2.gz GFQALPUVZSZKSZ-YJYMSZOUSA-N 0 3 348.418 2.242 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(C)c3[O-])C2)C1=O ZINC001274099391 1204370386 /nfs/dbraw/zinc/37/03/86/1204370386.db2.gz GFQALPUVZSZKSZ-YJYMSZOUSA-N 0 3 348.418 2.242 20 10 EECDHN COc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)c(C)c1 ZINC001274875164 1205194887 /nfs/dbraw/zinc/19/48/87/1205194887.db2.gz QSRIQBICNVLALX-QZTJIDSGSA-N 0 3 331.460 2.135 20 10 EECDHN COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275266750 1205294246 /nfs/dbraw/zinc/29/42/46/1205294246.db2.gz DOWZVGVIRPIWSU-LJQANCHMSA-N 0 3 334.460 2.301 20 10 EECDHN COCCOCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275266750 1205294247 /nfs/dbraw/zinc/29/42/47/1205294247.db2.gz DOWZVGVIRPIWSU-LJQANCHMSA-N 0 3 334.460 2.301 20 10 EECDHN CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])[C@@H]2C1 ZINC001275952328 1205600434 /nfs/dbraw/zinc/60/04/34/1205600434.db2.gz CORWSRSKLKHTLQ-WMLDXEAASA-N 0 3 342.443 2.021 20 10 EECDHN CCn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])[C@@H]2C1 ZINC001275952328 1205600435 /nfs/dbraw/zinc/60/04/35/1205600435.db2.gz CORWSRSKLKHTLQ-WMLDXEAASA-N 0 3 342.443 2.021 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@@H](CC3CC3)C2=O)N(C)C)cc1 ZINC000900185566 1234073876 /nfs/dbraw/zinc/07/38/76/1234073876.db2.gz OTOQYUIFMFDSCT-IRXDYDNUSA-N 0 3 344.459 2.076 20 10 EECDHN O=C(NCC(F)(F)F)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001187112364 1279384015 /nfs/dbraw/zinc/38/40/15/1279384015.db2.gz ZLXXUXNXZLVSBN-UHFFFAOYSA-N 0 3 331.338 2.218 20 10 EECDHN CCOC(=O)[C@H]1C[C@@H]2CN(Cc3cccc(C(C)(C)C)c3O)C[C@@H]2N1 ZINC001235284812 1305178166 /nfs/dbraw/zinc/17/81/66/1305178166.db2.gz ZFTJBWOSWIKMCG-OIISXLGYSA-N 0 3 346.471 2.415 20 10 EECDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CC[NH2+]C[C@H]1F ZINC001220212436 1298305059 /nfs/dbraw/zinc/30/50/59/1298305059.db2.gz JUAFHRBMEGUELP-WCQYABFASA-N 0 3 337.782 2.158 20 10 EECDHN COc1cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c(O)cc1O ZINC001231634192 1303871867 /nfs/dbraw/zinc/87/18/67/1303871867.db2.gz IYJNOJDRDUHULX-CQSZACIVSA-N 0 3 335.322 2.386 20 10 EECDHN CN(C)c1ccc(CN2CC(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232836593 1304264733 /nfs/dbraw/zinc/26/47/33/1304264733.db2.gz QSHFJQKDUQHXTR-UHFFFAOYSA-N 0 3 335.448 2.415 20 10 EECDHN C[C@H]1C[C@H]([NH3+])CN(Cc2ccc(I)cc2[O-])C1 ZINC001236052022 1305485813 /nfs/dbraw/zinc/48/58/13/1305485813.db2.gz ZKQGDTYJZDNQGO-CABZTGNLSA-N 0 3 346.212 2.166 20 10 EECDHN COC(=O)[C@@]1(N)CCN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236278336 1305549932 /nfs/dbraw/zinc/54/99/32/1305549932.db2.gz PDJHMBYRAIIAEG-LJQANCHMSA-N 0 3 327.428 2.170 20 10 EECDHN COc1cc(C)c(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c([O-])c1 ZINC001236810150 1305685792 /nfs/dbraw/zinc/68/57/92/1305685792.db2.gz VNSCHWACBYPFLY-GJZGRUSLSA-N 0 3 340.427 2.067 20 10 EECDHN CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C)c2cc(OC)ccc2O)C1(C)C ZINC000828667889 1314469274 /nfs/dbraw/zinc/46/92/74/1314469274.db2.gz VXOGQODVNGJKFZ-POHZPAGDSA-N 0 3 336.432 2.111 20 10 EECDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000828667058 1314469314 /nfs/dbraw/zinc/46/93/14/1314469314.db2.gz MEOSALSHDMKQHV-SJKOYZFVSA-N 0 3 326.396 2.465 20 10 EECDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCc2c1cnn2CCO ZINC000840931170 1315439690 /nfs/dbraw/zinc/43/96/90/1315439690.db2.gz UPQQURFTNIOZGB-SFHVURJKSA-N 0 3 328.460 2.417 20 10 EECDHN CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249217435 1317025497 /nfs/dbraw/zinc/02/54/97/1317025497.db2.gz OCLCLMVUEHEHTA-MRXNPFEDSA-N 0 3 349.427 2.273 20 10 EECDHN CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249217435 1317025503 /nfs/dbraw/zinc/02/55/03/1317025503.db2.gz OCLCLMVUEHEHTA-MRXNPFEDSA-N 0 3 349.427 2.273 20 10 EECDHN CCOc1cccc(CN2CC[C@H](Oc3nccc(OC)n3)C2)c1O ZINC001203617014 1321924322 /nfs/dbraw/zinc/92/43/22/1321924322.db2.gz FUDFJWQHEPDMOU-AWEZNQCLSA-N 0 3 345.399 2.243 20 10 EECDHN CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203634844 1321929250 /nfs/dbraw/zinc/92/92/50/1321929250.db2.gz XUQZWVCGWPGZHP-UHFFFAOYSA-N 0 3 335.448 2.417 20 10 EECDHN O=C1[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2CN1c1ccsc1 ZINC001203878126 1321981576 /nfs/dbraw/zinc/98/15/76/1321981576.db2.gz BWSKLKHAJPVYIH-JSGCOSHPSA-N 0 3 330.409 2.254 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2N)N(C)C)cc1 ZINC001345636129 1337454661 /nfs/dbraw/zinc/45/46/61/1337454661.db2.gz BWYULMUDMDUZLK-IBGZPJMESA-N 0 3 340.471 2.296 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@H](Oc3ncccn3)C2)c(OC)c1 ZINC001141032913 1372745870 /nfs/dbraw/zinc/74/58/70/1372745870.db2.gz SDRXAXPCFDBLCI-CYBMUJFWSA-N 0 3 345.399 2.243 20 10 EECDHN Nc1ccc(CCN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000817956772 785103491 /nfs/dbraw/zinc/10/34/91/785103491.db2.gz CQEPNEHVKHJGNU-MRXNPFEDSA-N 0 3 334.416 2.459 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CNCCO2)c1[O-] ZINC000817984533 785133164 /nfs/dbraw/zinc/13/31/64/785133164.db2.gz ZOHLNWDAZWCCHU-ZYHUDNBSSA-N 0 3 329.238 2.102 20 10 EECDHN Cc1cc([O-])c(C[NH2+]C[C@H](C)CN2CCN(C)CC2)cc1Cl ZINC000825247528 788534104 /nfs/dbraw/zinc/53/41/04/788534104.db2.gz UEONOYLGTHMHLS-ZDUSSCGKSA-N 0 3 325.884 2.327 20 10 EECDHN CC(C)P(CCNC(=O)CN1C(=O)CSC1=S)C(C)C ZINC001144853082 790214955 /nfs/dbraw/zinc/21/49/55/790214955.db2.gz QWLXPVPDSMDYCN-UHFFFAOYSA-N 0 3 334.447 2.262 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)c1[O-] ZINC000808707130 812815485 /nfs/dbraw/zinc/81/54/85/812815485.db2.gz DXWWZUUUIIMYQJ-LLVKDONJSA-N 0 3 335.853 2.066 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](O)C23CCCC3)cc1 ZINC000292633278 529779991 /nfs/dbraw/zinc/77/99/91/529779991.db2.gz GXHRLCGVALAXBH-SFHVURJKSA-N 0 3 345.487 2.090 20 10 EECDHN CCOc1ccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c([O-])c1 ZINC000527768844 317260241 /nfs/dbraw/zinc/26/02/41/317260241.db2.gz FLQOUSIRWDBKAY-IBGZPJMESA-N 0 3 329.396 2.247 20 10 EECDHN COCCOC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCOCC1 ZINC000296429063 465191455 /nfs/dbraw/zinc/19/14/55/465191455.db2.gz LSZLDHXHUQEDFN-CYBMUJFWSA-N 0 3 327.396 2.394 20 10 EECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000296647663 465228379 /nfs/dbraw/zinc/22/83/79/465228379.db2.gz VWPWBXPRTVNHEV-OAHLLOKOSA-N 0 3 336.432 2.426 20 10 EECDHN COc1cc(Br)cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)c1[O-] ZINC000097095757 463321433 /nfs/dbraw/zinc/32/14/33/463321433.db2.gz UBPAARONCGZSRS-JOYOIKCWSA-N 0 3 329.238 2.475 20 10 EECDHN COc1c([O-])c(CN2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278236130 463959817 /nfs/dbraw/zinc/95/98/17/463959817.db2.gz NFDQXUNCQMYHJR-CYBMUJFWSA-N 0 3 335.404 2.227 20 10 EECDHN COc1c([O-])c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278949237 464011663 /nfs/dbraw/zinc/01/16/63/464011663.db2.gz ZGLPGCXNFXVUFZ-GXTWGEPZSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278949237 464011670 /nfs/dbraw/zinc/01/16/70/464011670.db2.gz ZGLPGCXNFXVUFZ-GXTWGEPZSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000278949237 464011675 /nfs/dbraw/zinc/01/16/75/464011675.db2.gz ZGLPGCXNFXVUFZ-GXTWGEPZSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)ccc1[N+](=O)[O-] ZINC000278949237 464011679 /nfs/dbraw/zinc/01/16/79/464011679.db2.gz ZGLPGCXNFXVUFZ-GXTWGEPZSA-N 0 3 335.404 2.225 20 10 EECDHN COc1cc(Cl)cc(C[N@H+](C)CCCN2CCN(C)CC2)c1[O-] ZINC000289437715 464079369 /nfs/dbraw/zinc/07/93/69/464079369.db2.gz LNXSOIBNKWWMDH-UHFFFAOYSA-N 0 3 341.883 2.124 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+](C)CCCN2CCN(C)CC2)c1[O-] ZINC000289437715 464079375 /nfs/dbraw/zinc/07/93/75/464079375.db2.gz LNXSOIBNKWWMDH-UHFFFAOYSA-N 0 3 341.883 2.124 20 10 EECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(N)CCCCC1 ZINC000237220313 464287167 /nfs/dbraw/zinc/28/71/67/464287167.db2.gz RXNHSOSSVUOOSM-UHFFFAOYSA-N 0 3 331.460 2.143 20 10 EECDHN COc1ccc(O)c(CN2CCCN(c3nc(C)ns3)CC2)c1 ZINC000180504984 464325579 /nfs/dbraw/zinc/32/55/79/464325579.db2.gz CQZOYEGTDQDSNF-UHFFFAOYSA-N 0 3 334.445 2.273 20 10 EECDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000281391166 464436739 /nfs/dbraw/zinc/43/67/39/464436739.db2.gz WVSYPIDIRUQGAJ-QGZVFWFLSA-N 0 3 325.380 2.323 20 10 EECDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000281391166 464436745 /nfs/dbraw/zinc/43/67/45/464436745.db2.gz WVSYPIDIRUQGAJ-QGZVFWFLSA-N 0 3 325.380 2.323 20 10 EECDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCc2ccccc2)c1 ZINC000182457801 464660994 /nfs/dbraw/zinc/66/09/94/464660994.db2.gz NOMFMQRCMMZGTB-AWEZNQCLSA-N 0 3 328.412 2.410 20 10 EECDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000268144665 464951985 /nfs/dbraw/zinc/95/19/85/464951985.db2.gz UVRVZMXSVGHNBJ-LRDDRELGSA-N 0 3 334.439 2.174 20 10 EECDHN COc1cc(O)c(CN[C@@]2(CO)CCc3ccccc32)cc1OC ZINC000371505016 465841519 /nfs/dbraw/zinc/84/15/19/465841519.db2.gz HUYHOVITOZSJIN-LJQANCHMSA-N 0 3 329.396 2.333 20 10 EECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370778916 521287294 /nfs/dbraw/zinc/28/72/94/521287294.db2.gz IIMPUNGYYATQDX-CQSZACIVSA-N 0 3 345.212 2.205 20 10 EECDHN CC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000775534743 577439111 /nfs/dbraw/zinc/43/91/11/577439111.db2.gz HUTVZUYCRUNBPA-KCXAZCMYSA-N 0 3 328.416 2.360 20 10 EECDHN C[C@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccc(N(C)C)cc1 ZINC000775833797 577446855 /nfs/dbraw/zinc/44/68/55/577446855.db2.gz MPUOPQBFZKTFAH-ZDUSSCGKSA-N 0 3 340.427 2.141 20 10 EECDHN CN1CC=C(CNC(=O)NCCCSc2nccs2)CC1 ZINC000776051440 577451287 /nfs/dbraw/zinc/45/12/87/577451287.db2.gz JDAOWLMNKNQNQX-UHFFFAOYSA-N 0 3 326.491 2.186 20 10 EECDHN COc1cccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1[O-] ZINC000776939964 577470087 /nfs/dbraw/zinc/47/00/87/577470087.db2.gz VDWHUOORFFPSEJ-CQSZACIVSA-N 0 3 348.830 2.488 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H](C)[C@H](C)C3)CC2)cc1 ZINC000766987480 577528509 /nfs/dbraw/zinc/52/85/09/577528509.db2.gz ANUPPUKQORLQGD-DLBZAZTESA-N 0 3 345.487 2.322 20 10 EECDHN CN(C)CCOc1ccc(N(C)Cc2cnc(N(C)C)nc2)cc1 ZINC000761223221 577679595 /nfs/dbraw/zinc/67/95/95/577679595.db2.gz NJAPRRGGQRHZJF-UHFFFAOYSA-N 0 3 329.448 2.119 20 10 EECDHN CO[C@]1(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1 ZINC000763480339 577721730 /nfs/dbraw/zinc/72/17/30/577721730.db2.gz MEQHEAYKVXZFEO-SFHVURJKSA-N 0 3 349.431 2.480 20 10 EECDHN COC(=O)C[C@@H]1CSCCN1Cc1cc(C)cc(OC)c1O ZINC000754742724 577811883 /nfs/dbraw/zinc/81/18/83/577811883.db2.gz YHWKKNUVGFJBRT-CYBMUJFWSA-N 0 3 325.430 2.190 20 10 EECDHN Cc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)o1 ZINC000891248477 676242697 /nfs/dbraw/zinc/24/26/97/676242697.db2.gz NEOLVOOTHYHRGM-INIZCTEOSA-N 0 3 330.432 2.390 20 10 EECDHN C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248460 676242885 /nfs/dbraw/zinc/24/28/85/676242885.db2.gz MXTBRKRARYWWEA-RDTXWAMCSA-N 0 3 343.475 2.073 20 10 EECDHN CO[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC000891248655 676242973 /nfs/dbraw/zinc/24/29/73/676242973.db2.gz ZQDYNZLUWWZHKM-ZWKOTPCHSA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CC[C@H]2CCOC2)N(C)C)cc1 ZINC000891251081 676247514 /nfs/dbraw/zinc/24/75/14/676247514.db2.gz DIQYYJINIWULKS-MAUKXSAKSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccncc2)N(C)C)cc1 ZINC000891255847 676253098 /nfs/dbraw/zinc/25/30/98/676253098.db2.gz SPZIUGCNSNXQST-SFHVURJKSA-N 0 3 326.444 2.109 20 10 EECDHN CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000176985345 679794433 /nfs/dbraw/zinc/79/44/33/679794433.db2.gz ZNLJMTNGWONCPO-GFCCVEGCSA-N 0 3 344.452 2.386 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000895004381 683459974 /nfs/dbraw/zinc/45/99/74/683459974.db2.gz PTWMPUBXUNEDGG-IBGZPJMESA-N 0 3 326.396 2.030 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000895004381 683459977 /nfs/dbraw/zinc/45/99/77/683459977.db2.gz PTWMPUBXUNEDGG-IBGZPJMESA-N 0 3 326.396 2.030 20 10 EECDHN CSC[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893099986 683751413 /nfs/dbraw/zinc/75/14/13/683751413.db2.gz WQRRWUGYGVWHSE-CJNGLKHVSA-N 0 3 338.521 2.406 20 10 EECDHN COc1ccc(CN[C@H]2CCN(C3CCCCC3)C2=O)c(O)c1OC ZINC000893172257 684028278 /nfs/dbraw/zinc/02/82/78/684028278.db2.gz QDQYRQOFGZUKIQ-HNNXBMFYSA-N 0 3 348.443 2.433 20 10 EECDHN CC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000794814052 1198081558 /nfs/dbraw/zinc/08/15/58/1198081558.db2.gz GPFAKSYVZHXQPT-HIFRSBDPSA-N 0 3 326.462 2.023 20 10 EECDHN CCn1ncnc1CN[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000877033706 1199850234 /nfs/dbraw/zinc/85/02/34/1199850234.db2.gz KQSVMLRAPUADJW-HNNXBMFYSA-N 0 3 349.866 2.411 20 10 EECDHN CC(C)(C)N1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877081850 1199859720 /nfs/dbraw/zinc/85/97/20/1199859720.db2.gz IXNKVQKDVBSTRS-INIZCTEOSA-N 0 3 345.487 2.137 20 10 EECDHN COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2c(C)cccc2[O-])cc1 ZINC000877620695 1199986376 /nfs/dbraw/zinc/98/63/76/1199986376.db2.gz LOKLBCGCMVBOOX-KRWDZBQOSA-N 0 3 345.439 2.419 20 10 EECDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCc1ccccc1)c1ccccc1[O-] ZINC000879648209 1201193091 /nfs/dbraw/zinc/19/30/91/1201193091.db2.gz DZTRPWYVJXBBEF-KGLIPLIRSA-N 0 3 341.411 2.457 20 10 EECDHN O=C(NCC(F)(F)F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267384 1205294195 /nfs/dbraw/zinc/29/41/95/1205294195.db2.gz MMEHLOHLSRGYEO-WCQYABFASA-N 0 3 343.349 2.170 20 10 EECDHN O=C(NCC(F)(F)F)N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267384 1205294197 /nfs/dbraw/zinc/29/41/97/1205294197.db2.gz MMEHLOHLSRGYEO-WCQYABFASA-N 0 3 343.349 2.170 20 10 EECDHN Cc1nccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000930836143 1206586625 /nfs/dbraw/zinc/58/66/25/1206586625.db2.gz FICQWFSXTXXGTK-MRXNPFEDSA-N 0 3 342.447 2.275 20 10 EECDHN Cc1n[nH]cc1[C@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000779020913 1208443933 /nfs/dbraw/zinc/44/39/33/1208443933.db2.gz VQHMFFBMEMGILF-XJKSGUPXSA-N 0 3 341.459 2.271 20 10 EECDHN [O-]c1cccc(F)c1C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001276359061 1213931911 /nfs/dbraw/zinc/93/19/11/1213931911.db2.gz FKVIJDXYXKROHE-UHFFFAOYSA-N 0 3 344.434 2.326 20 10 EECDHN CCC[C@@]1(C)NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185588 1234073706 /nfs/dbraw/zinc/07/37/06/1234073706.db2.gz OXFLFNSIGNUCIB-QFBILLFUSA-N 0 3 346.475 2.466 20 10 EECDHN CCc1nn(C)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406215 1277216805 /nfs/dbraw/zinc/21/68/05/1277216805.db2.gz XRKYFICGDUXUPC-UHFFFAOYSA-N 0 3 328.460 2.233 20 10 EECDHN C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000390235535 1286294812 /nfs/dbraw/zinc/29/48/12/1286294812.db2.gz AKZLOTYOTAJIEN-CYBMUJFWSA-N 0 3 333.457 2.251 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851841446 1291878558 /nfs/dbraw/zinc/87/85/58/1291878558.db2.gz SDURZBWELXVMPK-HNNXBMFYSA-N 0 3 336.432 2.460 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851841446 1291878574 /nfs/dbraw/zinc/87/85/74/1291878574.db2.gz SDURZBWELXVMPK-HNNXBMFYSA-N 0 3 336.432 2.460 20 10 EECDHN CN(C)c1cc(F)c(CNCCN2CCOCC2(C)C)cc1F ZINC000858124026 1294013864 /nfs/dbraw/zinc/01/38/64/1294013864.db2.gz MTBZLBUMOZZZMW-UHFFFAOYSA-N 0 3 327.419 2.231 20 10 EECDHN CN(C)c1cc(F)c(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1F ZINC000862381062 1295816187 /nfs/dbraw/zinc/81/61/87/1295816187.db2.gz TXLSEYCSDGUDIV-ROUUACIJSA-N 0 3 340.414 2.441 20 10 EECDHN O=C1c2cccc(O[C@@H]3CCC34C[NH2+]C4)c2C(=O)c2cccc([O-])c21 ZINC001218243178 1297615454 /nfs/dbraw/zinc/61/54/54/1297615454.db2.gz YFAABQWQGGILDV-OAHLLOKOSA-N 0 3 335.359 2.298 20 10 EECDHN Cc1cc(O[C@H]2C=CC[NH2+]C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218333156 1297633710 /nfs/dbraw/zinc/63/37/10/1297633710.db2.gz FUVNKUIJLZVMII-LBPRGKRZSA-N 0 3 335.359 2.383 20 10 EECDHN Cc1cc(C)c(CNC(=O)[C@H](N)CCC(=O)OC(C)(C)C)c(O)c1 ZINC001220825970 1298550602 /nfs/dbraw/zinc/55/06/02/1298550602.db2.gz WCXQDNNQHFETND-CQSZACIVSA-N 0 3 336.432 2.074 20 10 EECDHN O=C(NCC(F)F)[C@H]1CCSC12CN(Cc1ccccc1O)C2 ZINC001277441497 1303030352 /nfs/dbraw/zinc/03/03/52/1303030352.db2.gz MCTMIOLDLLLCQP-GFCCVEGCSA-N 0 3 342.411 2.081 20 10 EECDHN O=C(NCC(F)F)[C@H]1CCSC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277441497 1303030355 /nfs/dbraw/zinc/03/03/55/1303030355.db2.gz MCTMIOLDLLLCQP-GFCCVEGCSA-N 0 3 342.411 2.081 20 10 EECDHN O=C(Nc1cn[nH]c1)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277442652 1303038122 /nfs/dbraw/zinc/03/81/22/1303038122.db2.gz YNGIOJKFGQQRJW-HNNXBMFYSA-N 0 3 326.400 2.356 20 10 EECDHN O=C1COC2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)CN1 ZINC001231590501 1303858283 /nfs/dbraw/zinc/85/82/83/1303858283.db2.gz FDJCYGMVEQQUTP-UHFFFAOYSA-N 0 3 326.396 2.026 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3ncccc3C)C2)c(O)cc1O ZINC001231639181 1303875277 /nfs/dbraw/zinc/87/52/77/1303875277.db2.gz DXBUFXGYYZQOJR-AWEZNQCLSA-N 0 3 330.384 2.463 20 10 EECDHN COCCN1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000781895441 1303891637 /nfs/dbraw/zinc/89/16/37/1303891637.db2.gz SBXUIWGZHUEDHK-UHFFFAOYSA-N 0 3 343.265 2.227 20 10 EECDHN COc1cccc(N2CCN(Cc3ccc(N(C)C)cc3O)CC2)n1 ZINC001232841110 1304266800 /nfs/dbraw/zinc/26/68/00/1304266800.db2.gz SULDRZMNEFUUJL-UHFFFAOYSA-N 0 3 342.443 2.184 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(Br)c1 ZINC001235986261 1305468320 /nfs/dbraw/zinc/46/83/20/1305468320.db2.gz DOKFYVTTYZDMRV-LKFCYVNXSA-N 0 3 327.222 2.086 20 10 EECDHN COC(=O)[C@]1(N)CCN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001236276623 1305548312 /nfs/dbraw/zinc/54/83/12/1305548312.db2.gz LMMORLNEWSAPMO-IBGZPJMESA-N 0 3 327.428 2.170 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3ncncc3C)C2)cc1OC ZINC001236753092 1305659865 /nfs/dbraw/zinc/65/98/65/1305659865.db2.gz GZMOISWGEMDAIQ-CQSZACIVSA-N 0 3 345.399 2.161 20 10 EECDHN CCN1CC[C@@]2(C[N@H+](Cc3c(C)cc(OC)cc3[O-])C[C@@H]2C)C1=O ZINC001236807576 1305683824 /nfs/dbraw/zinc/68/38/24/1305683824.db2.gz FSOAQFWQHLGSKS-LIRRHRJNSA-N 0 3 332.444 2.400 20 10 EECDHN CCN1CC[C@@]2(C[N@@H+](Cc3c(C)cc(OC)cc3[O-])C[C@@H]2C)C1=O ZINC001236807576 1305683833 /nfs/dbraw/zinc/68/38/33/1305683833.db2.gz FSOAQFWQHLGSKS-LIRRHRJNSA-N 0 3 332.444 2.400 20 10 EECDHN CN1CCN(c2ccc(CN3CCC[C@]4(CCO4)C3)c(F)c2)CC1 ZINC001236939512 1305739741 /nfs/dbraw/zinc/73/97/41/1305739741.db2.gz RTDLXOLHLPXDCI-IBGZPJMESA-N 0 3 333.451 2.332 20 10 EECDHN CC(=O)N[C@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237061176 1305783082 /nfs/dbraw/zinc/78/30/82/1305783082.db2.gz GTLQPYXIRYAIEC-LBPRGKRZSA-N 0 3 332.322 2.044 20 10 EECDHN CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237061176 1305783090 /nfs/dbraw/zinc/78/30/90/1305783090.db2.gz GTLQPYXIRYAIEC-LBPRGKRZSA-N 0 3 332.322 2.044 20 10 EECDHN CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237061176 1305783100 /nfs/dbraw/zinc/78/31/00/1305783100.db2.gz GTLQPYXIRYAIEC-LBPRGKRZSA-N 0 3 332.322 2.044 20 10 EECDHN CN(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C[C@H]1CC1(C)C ZINC001237208482 1305849038 /nfs/dbraw/zinc/84/90/38/1305849038.db2.gz CNAWZNSZDLUVBP-MRXNPFEDSA-N 0 3 336.501 2.399 20 10 EECDHN Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4cc(F)ccc4[O-])C[C@H]3C2)cn1 ZINC001140054105 1314805854 /nfs/dbraw/zinc/80/58/54/1314805854.db2.gz JIVPDMPGEIIRGB-NVXWUHKLSA-N 0 3 344.434 2.219 20 10 EECDHN Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cc(F)ccc4[O-])C[C@H]3C2)cn1 ZINC001140054105 1314805855 /nfs/dbraw/zinc/80/58/55/1314805855.db2.gz JIVPDMPGEIIRGB-NVXWUHKLSA-N 0 3 344.434 2.219 20 10 EECDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1ccncc1 ZINC001140060480 1314806660 /nfs/dbraw/zinc/80/66/60/1314806660.db2.gz YCLVSDQFTKFQGY-UHFFFAOYSA-N 0 3 329.375 2.321 20 10 EECDHN COc1ccnc(OC2CCN(Cc3cc(F)ccc3O)CC2)n1 ZINC001140060458 1314806696 /nfs/dbraw/zinc/80/66/96/1314806696.db2.gz WVPZPQAVPBZJLU-UHFFFAOYSA-N 0 3 333.363 2.373 20 10 EECDHN CCN1CCN(c2ccc(CN3CC[C@@](C)(O)[C@@H](F)C3)cc2)CC1 ZINC001140301820 1314860437 /nfs/dbraw/zinc/86/04/37/1314860437.db2.gz AKHOAMHZGJSFIW-RBUKOAKNSA-N 0 3 335.467 2.123 20 10 EECDHN O=C(NC1CCN(Cc2cc(O)ccc2O)CC1)N1CCCCC1 ZINC001141161477 1315051651 /nfs/dbraw/zinc/05/16/51/1315051651.db2.gz FLIOOFPMVQSAKH-UHFFFAOYSA-N 0 3 333.432 2.258 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1[O-] ZINC000840962494 1315446801 /nfs/dbraw/zinc/44/68/01/1315446801.db2.gz HKQSGAWJPDBVGT-SMDDNHRTSA-N 0 3 344.249 2.340 20 10 EECDHN Nc1ccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000841300251 1315524477 /nfs/dbraw/zinc/52/44/77/1315524477.db2.gz ODBTWRHKJSXGCT-IBGZPJMESA-N 0 3 340.427 2.027 20 10 EECDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706486 1315600933 /nfs/dbraw/zinc/60/09/33/1315600933.db2.gz GMVYNFLMEIKTAC-LSDHHAIUSA-N 0 3 348.516 2.132 20 10 EECDHN CCOC(=O)CCCOc1ccc(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001249724621 1317158691 /nfs/dbraw/zinc/15/86/91/1317158691.db2.gz JRONQIYBYTYKCY-UHFFFAOYSA-N 0 3 349.427 2.071 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001249735300 1317159402 /nfs/dbraw/zinc/15/94/02/1317159402.db2.gz IXNTVWNWXNFBGC-MAUKXSAKSA-N 0 3 349.427 2.335 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001249735300 1317159412 /nfs/dbraw/zinc/15/94/12/1317159412.db2.gz IXNTVWNWXNFBGC-MAUKXSAKSA-N 0 3 349.427 2.335 20 10 EECDHN O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203552278 1321910416 /nfs/dbraw/zinc/91/04/16/1321910416.db2.gz HKJUGJIELPYWCB-XLIONFOSSA-N 0 3 337.423 2.316 20 10 EECDHN O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203552278 1321910417 /nfs/dbraw/zinc/91/04/17/1321910417.db2.gz HKJUGJIELPYWCB-XLIONFOSSA-N 0 3 337.423 2.316 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001208987908 1324750291 /nfs/dbraw/zinc/75/02/91/1324750291.db2.gz RDKYBQACSDTQMZ-OAHLLOKOSA-N 0 3 336.432 2.460 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001208987908 1324750296 /nfs/dbraw/zinc/75/02/96/1324750296.db2.gz RDKYBQACSDTQMZ-OAHLLOKOSA-N 0 3 336.432 2.460 20 10 EECDHN CC(C)c1ccc(O)c(CN2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC001308628405 1331599939 /nfs/dbraw/zinc/59/99/39/1331599939.db2.gz WQKGMCUFRAZWPE-UHFFFAOYSA-N 0 3 340.489 2.371 20 10 EECDHN CCN(CC)c1ccc(CN2CCN(c3cccnn3)CC2)c(O)c1 ZINC001140855054 1372698616 /nfs/dbraw/zinc/69/86/16/1372698616.db2.gz LVXNOUZTGLOYAU-UHFFFAOYSA-N 0 3 341.459 2.351 20 10 EECDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000400902785 1409773153 /nfs/dbraw/zinc/77/31/53/1409773153.db2.gz LVVCUHCLAQPSEU-XJKSGUPXSA-N 0 3 337.439 2.042 20 10 EECDHN COc1cc(O)c(CN2CCC(OC(=O)N(C)C)CC2)cc1OC ZINC000816654932 784171489 /nfs/dbraw/zinc/17/14/89/784171489.db2.gz IVGXADFHSAMTBV-UHFFFAOYSA-N 0 3 338.404 2.072 20 10 EECDHN COC1CCN(c2ccc(CN3CC[C@H](NC(C)=O)C3)cc2)CC1 ZINC000817281692 784624139 /nfs/dbraw/zinc/62/41/39/784624139.db2.gz ZSTMXXIWGCWQJC-KRWDZBQOSA-N 0 3 331.460 2.012 20 10 EECDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000819583655 785594962 /nfs/dbraw/zinc/59/49/62/785594962.db2.gz YYPGSHUJYLVXSI-QAPCUYQASA-N 0 3 333.476 2.224 20 10 EECDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000819583653 785595153 /nfs/dbraw/zinc/59/51/53/785595153.db2.gz YYPGSHUJYLVXSI-MAUKXSAKSA-N 0 3 333.476 2.224 20 10 EECDHN CNC(=O)COc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921556498 789471153 /nfs/dbraw/zinc/47/11/53/789471153.db2.gz LGKSYQJWUOJIIM-UHFFFAOYSA-N 0 3 340.423 2.426 20 10 EECDHN O=[N+]([O-])c1cc(CNC[C@@H]2COCCO2)ccc1N1CCCCC1 ZINC000916840056 797913757 /nfs/dbraw/zinc/91/37/57/797913757.db2.gz ZWIAUNWCCFEHFQ-OAHLLOKOSA-N 0 3 335.404 2.090 20 10 EECDHN CC[C@H](CN1CCOCC1)NCc1cc(F)c(N(C)C)cc1F ZINC000922592942 801446628 /nfs/dbraw/zinc/44/66/28/801446628.db2.gz MAVVUBRIKBRVGU-CQSZACIVSA-N 0 3 327.419 2.231 20 10 EECDHN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000192955296 237355875 /nfs/dbraw/zinc/35/58/75/237355875.db2.gz UJNJOTBPUAAPGZ-CYBMUJFWSA-N 0 3 326.462 2.165 20 10 EECDHN NC(=O)CC1C[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000297377490 465254076 /nfs/dbraw/zinc/25/40/76/465254076.db2.gz JBABGDIRRBAODY-UHFFFAOYSA-N 0 3 326.396 2.278 20 10 EECDHN C[C@H]1CN(CCCNC(=O)NCc2ccc(N(C)C)cc2)CCCO1 ZINC000277225578 463905727 /nfs/dbraw/zinc/90/57/27/463905727.db2.gz MDLZNSMTVRSSCN-INIZCTEOSA-N 0 3 348.491 2.053 20 10 EECDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(F)ccc1[O-] ZINC000186082616 463933278 /nfs/dbraw/zinc/93/32/78/463933278.db2.gz AGCGGXKTSYFQHB-BXUZGUMPSA-N 0 3 332.379 2.111 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c([O-])c1 ZINC000186100731 463937202 /nfs/dbraw/zinc/93/72/02/463937202.db2.gz ULXXCUIQYYOJOV-CYBMUJFWSA-N 0 3 338.473 2.308 20 10 EECDHN CCOC1CC(O)(C[NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000278599140 463972518 /nfs/dbraw/zinc/97/25/18/463972518.db2.gz FNBPCQYKYJMZFZ-UHFFFAOYSA-N 0 3 344.249 2.483 20 10 EECDHN CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000291033020 464142841 /nfs/dbraw/zinc/14/28/41/464142841.db2.gz YQZRZQGKXYIONB-HKUYNNGSSA-N 0 3 329.396 2.475 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](C)[C@@H]1C)cc2=O ZINC000172864137 464157261 /nfs/dbraw/zinc/15/72/61/464157261.db2.gz RPFUXUIZOGQEAO-RYUDHWBXSA-N 0 3 332.404 2.232 20 10 EECDHN CO[C@]1(C)CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000280582655 464220170 /nfs/dbraw/zinc/22/01/70/464220170.db2.gz SXOLCFNEAKNRAR-LJQANCHMSA-N 0 3 333.476 2.260 20 10 EECDHN C[C@@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCCN1 ZINC000237594552 464345010 /nfs/dbraw/zinc/34/50/10/464345010.db2.gz NMOGGSJHNZJJBV-FQEVSTJZSA-N 0 3 345.487 2.044 20 10 EECDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000180843130 464406695 /nfs/dbraw/zinc/40/66/95/464406695.db2.gz KZZOBUKUUUBMOS-GGVNAUFHSA-N 0 3 342.439 2.444 20 10 EECDHN COCCOCCOCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000276253414 464865975 /nfs/dbraw/zinc/86/59/75/464865975.db2.gz VSVJBNANGOZCCX-UHFFFAOYSA-N 0 3 331.840 2.465 20 10 EECDHN COCCOCCOCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000276253414 464865979 /nfs/dbraw/zinc/86/59/79/464865979.db2.gz VSVJBNANGOZCCX-UHFFFAOYSA-N 0 3 331.840 2.465 20 10 EECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2c1CCNC2 ZINC000662752623 472234713 /nfs/dbraw/zinc/23/47/13/472234713.db2.gz IBWAJZCAKAUZMI-UHFFFAOYSA-N 0 3 337.423 2.438 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nnc4n3CCC4)C1)OCO2 ZINC000093134434 534447366 /nfs/dbraw/zinc/44/73/66/534447366.db2.gz KAIOORCXDHRNRY-GFCCVEGCSA-N 0 3 342.399 2.038 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3nnc4n3CCC4)C1)OCO2 ZINC000093134434 534447373 /nfs/dbraw/zinc/44/73/73/534447373.db2.gz KAIOORCXDHRNRY-GFCCVEGCSA-N 0 3 342.399 2.038 20 10 EECDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(O)C2CC2)c1[O-] ZINC000732668622 577187654 /nfs/dbraw/zinc/18/76/54/577187654.db2.gz KNFRWMBBFZESIJ-AWEZNQCLSA-N 0 3 330.222 2.414 20 10 EECDHN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000734270092 577287566 /nfs/dbraw/zinc/28/75/66/577287566.db2.gz OSLDCBULKDBNAD-MRXNPFEDSA-N 0 3 328.460 2.323 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2c(C)nn(C)c2C)c1 ZINC000775368526 577436066 /nfs/dbraw/zinc/43/60/66/577436066.db2.gz ALIBEQVSLODCME-SNVBAGLBSA-N 0 3 332.404 2.040 20 10 EECDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)N1CCOCC1 ZINC000756649490 577847988 /nfs/dbraw/zinc/84/79/88/577847988.db2.gz PNGHSXBKIYIIEW-KWCYVHTRSA-N 0 3 336.407 2.307 20 10 EECDHN COCC1(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891246031 676239346 /nfs/dbraw/zinc/23/93/46/676239346.db2.gz LMCKAYYVQIYRJK-QGZVFWFLSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CCn2cccc2)N(C)C)cc1 ZINC000891253080 676249074 /nfs/dbraw/zinc/24/90/74/676249074.db2.gz QIEGPBAVVYNWCI-GOSISDBHSA-N 0 3 328.460 2.363 20 10 EECDHN CCCCN(CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000052877786 679404976 /nfs/dbraw/zinc/40/49/76/679404976.db2.gz ZBDSSDLWHQIODB-UHFFFAOYSA-N 0 3 333.476 2.466 20 10 EECDHN CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[C@H]3CCCN4C)ccc21 ZINC000892491682 681203359 /nfs/dbraw/zinc/20/33/59/681203359.db2.gz FAWNKWUYGPOYHQ-RTBURBONSA-N 0 3 342.487 2.447 20 10 EECDHN COc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(O)c1OC ZINC000894409911 682842397 /nfs/dbraw/zinc/84/23/97/682842397.db2.gz UUWYNAHWMWJBBH-NEPJUHHUSA-N 0 3 349.349 2.402 20 10 EECDHN CC(C)(C)OC(=O)NCCN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000892790789 683055187 /nfs/dbraw/zinc/05/51/87/683055187.db2.gz JERQRQCQXMNFLS-UHFFFAOYSA-N 0 3 349.475 2.471 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=S)NCc2ccon2)N(C)C)cc1 ZINC000899725758 693847140 /nfs/dbraw/zinc/84/71/40/693847140.db2.gz ZVZAKIFQWYWSQV-MRXNPFEDSA-N 0 3 347.488 2.008 20 10 EECDHN COC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000899102996 693606998 /nfs/dbraw/zinc/60/69/98/693606998.db2.gz UIHCRENGHKCIES-QAPCUYQASA-N 0 3 348.491 2.033 20 10 EECDHN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983660 1194292881 /nfs/dbraw/zinc/29/28/81/1194292881.db2.gz YCFBGEYBZGTYDP-ORAYPTAESA-N 0 3 346.427 2.237 20 10 EECDHN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272983660 1194292884 /nfs/dbraw/zinc/29/28/84/1194292884.db2.gz YCFBGEYBZGTYDP-ORAYPTAESA-N 0 3 346.427 2.237 20 10 EECDHN CC[C@H](C)N1C[C@]2(CCN(Cc3cc(F)ccc3O)C2)OCC1=O ZINC001273285299 1197954106 /nfs/dbraw/zinc/95/41/06/1197954106.db2.gz PNWIGPYJKKYUKG-SCLBCKFNSA-N 0 3 336.407 2.133 20 10 EECDHN CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285299 1197954111 /nfs/dbraw/zinc/95/41/11/1197954111.db2.gz PNWIGPYJKKYUKG-SCLBCKFNSA-N 0 3 336.407 2.133 20 10 EECDHN CC[C@H](C)N1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)OCC1=O ZINC001273285299 1197954113 /nfs/dbraw/zinc/95/41/13/1197954113.db2.gz PNWIGPYJKKYUKG-SCLBCKFNSA-N 0 3 336.407 2.133 20 10 EECDHN CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000794814055 1198082091 /nfs/dbraw/zinc/08/20/91/1198082091.db2.gz GPFAKSYVZHXQPT-UKRRQHHQSA-N 0 3 326.462 2.023 20 10 EECDHN C[C@@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879647618 1201192991 /nfs/dbraw/zinc/19/29/91/1201192991.db2.gz GFHVRRWQLUKPCW-UMVBOHGHSA-N 0 3 333.432 2.447 20 10 EECDHN COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649282 1201193577 /nfs/dbraw/zinc/19/35/77/1201193577.db2.gz PANWQZBNGNEVPP-ZIAGYGMSSA-N 0 3 347.411 2.500 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1[O-] ZINC000866497320 1201532281 /nfs/dbraw/zinc/53/22/81/1201532281.db2.gz FHJGJKJMCGXKAG-ZWKOPEQDSA-N 0 3 330.222 2.264 20 10 EECDHN COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC001274302987 1204990992 /nfs/dbraw/zinc/99/09/92/1204990992.db2.gz AKRWGMKDIMSKDU-QGZVFWFLSA-N 0 3 346.471 2.455 20 10 EECDHN CCc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C2COC2)C3)c([O-])c1 ZINC001274657502 1205119140 /nfs/dbraw/zinc/11/91/40/1205119140.db2.gz YWCPCMXJCIESQH-HXUWFJFHSA-N 0 3 344.455 2.310 20 10 EECDHN CCc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(C2COC2)C3)c([O-])c1 ZINC001274657502 1205119141 /nfs/dbraw/zinc/11/91/41/1205119141.db2.gz YWCPCMXJCIESQH-HXUWFJFHSA-N 0 3 344.455 2.310 20 10 EECDHN CN1CC2(C1)CCCN(Cc1ccc(N3CCOCC3)cc1F)C2 ZINC001275320385 1205308224 /nfs/dbraw/zinc/30/82/24/1205308224.db2.gz VVLBRTXEEBLNPW-UHFFFAOYSA-N 0 3 333.451 2.190 20 10 EECDHN CN(C)C1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1 ZINC000158758331 1208414186 /nfs/dbraw/zinc/41/41/86/1208414186.db2.gz NERBBROYUCJQRP-UHFFFAOYSA-N 0 3 333.501 2.340 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1)[C@@H](O)CO2 ZINC000795718800 1215014544 /nfs/dbraw/zinc/01/45/44/1215014544.db2.gz NJXMHLBFPMYDGB-ZFWWWQNUSA-N 0 3 347.333 2.097 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1)[C@@H](O)CO2 ZINC000795718800 1215014549 /nfs/dbraw/zinc/01/45/49/1215014549.db2.gz NJXMHLBFPMYDGB-ZFWWWQNUSA-N 0 3 347.333 2.097 20 10 EECDHN CN(C)c1ccc([C@H](CN2C(=O)N3CCC[C@@]3(C)C2=O)N(C)C)cc1 ZINC000900184773 1234073322 /nfs/dbraw/zinc/07/33/22/1234073322.db2.gz GHJZJHURRMSFGK-LPHOPBHVSA-N 0 3 344.459 2.172 20 10 EECDHN COC[C@H](C)N1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863361 1235260718 /nfs/dbraw/zinc/26/07/18/1235260718.db2.gz XUGZMPWTNQDWHB-YVEFUNNKSA-N 0 3 347.419 2.078 20 10 EECDHN C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203656560 1279439572 /nfs/dbraw/zinc/43/95/72/1279439572.db2.gz SNZNYDVUKHTYCL-CYBMUJFWSA-N 0 3 334.851 2.436 20 10 EECDHN O=C1c2cccc(O[C@H]3CCC34C[NH2+]C4)c2C(=O)c2cccc([O-])c21 ZINC001218243175 1297613101 /nfs/dbraw/zinc/61/31/01/1297613101.db2.gz YFAABQWQGGILDV-HNNXBMFYSA-N 0 3 335.359 2.298 20 10 EECDHN O=C(NCC1COC1)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441776 1303031240 /nfs/dbraw/zinc/03/12/40/1303031240.db2.gz OXZYPEOQYVILKP-PXNSSMCTSA-N 0 3 344.455 2.147 20 10 EECDHN O=C(NCC1COC1)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277441776 1303031248 /nfs/dbraw/zinc/03/12/48/1303031248.db2.gz OXZYPEOQYVILKP-PXNSSMCTSA-N 0 3 344.455 2.147 20 10 EECDHN COc1ccc(Br)c(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1[O-] ZINC001231548519 1303841991 /nfs/dbraw/zinc/84/19/91/1303841991.db2.gz UMDCHIMKEZXYQL-ZJUUUORDSA-N 0 3 330.222 2.366 20 10 EECDHN COc1ccc(Br)c(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1[O-] ZINC001231548519 1303841995 /nfs/dbraw/zinc/84/19/95/1303841995.db2.gz UMDCHIMKEZXYQL-ZJUUUORDSA-N 0 3 330.222 2.366 20 10 EECDHN COc1cc(Cl)cc(CN2CCc3ncnc(OC)c3CC2)c1O ZINC001233288962 1304417474 /nfs/dbraw/zinc/41/74/74/1304417474.db2.gz FEWUNIVUZLECIU-UHFFFAOYSA-N 0 3 349.818 2.454 20 10 EECDHN CC[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000796766106 1304576067 /nfs/dbraw/zinc/57/60/67/1304576067.db2.gz SQXDJDDLKRWRPS-CZUORRHYSA-N 0 3 337.439 2.159 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@](C)(CO)[C@H](O)C3)c2c1 ZINC001234525227 1304952943 /nfs/dbraw/zinc/95/29/43/1304952943.db2.gz CVQBUFPOTHTWNX-RTBURBONSA-N 0 3 331.412 2.119 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@](C)(CO)[C@H](O)C3)c2c1 ZINC001234525227 1304952945 /nfs/dbraw/zinc/95/29/45/1304952945.db2.gz CVQBUFPOTHTWNX-RTBURBONSA-N 0 3 331.412 2.119 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3nccnc3C)C2)cc1OC ZINC001236753101 1305659826 /nfs/dbraw/zinc/65/98/26/1305659826.db2.gz HAEVXUHJIJJDRN-CQSZACIVSA-N 0 3 345.399 2.161 20 10 EECDHN CN1CCN(c2ccc(CN3[C@@H]4CC[C@H]3CC(=O)C4)c(F)c2)CC1 ZINC001236935071 1305736983 /nfs/dbraw/zinc/73/69/83/1305736983.db2.gz FCDAYJKEPWGWHM-CALCHBBNSA-N 0 3 331.435 2.273 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H]3OCCN(C(C)=O)[C@@H]3CC2)c([O-])c1 ZINC001237043074 1305776531 /nfs/dbraw/zinc/77/65/31/1305776531.db2.gz NHHDQGCWSXLITM-IEBWSBKVSA-N 0 3 348.443 2.003 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H]3OCCN(C(C)=O)[C@@H]3CC2)c([O-])c1 ZINC001237043074 1305776532 /nfs/dbraw/zinc/77/65/32/1305776532.db2.gz NHHDQGCWSXLITM-IEBWSBKVSA-N 0 3 348.443 2.003 20 10 EECDHN O=C1NCC[C@]12CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C2 ZINC001237052945 1305780086 /nfs/dbraw/zinc/78/00/86/1305780086.db2.gz FPSDPZGJHSOHSY-OAHLLOKOSA-N 0 3 344.333 2.045 20 10 EECDHN O=C1NCC[C@]12CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C2 ZINC001237052945 1305780096 /nfs/dbraw/zinc/78/00/96/1305780096.db2.gz FPSDPZGJHSOHSY-OAHLLOKOSA-N 0 3 344.333 2.045 20 10 EECDHN O=S1(=O)CCN(c2ccc(CN3CCC34CCCC4)cc2)CC1 ZINC001237207073 1305846988 /nfs/dbraw/zinc/84/69/88/1305846988.db2.gz PNINJSIUCHLVPS-UHFFFAOYSA-N 0 3 334.485 2.440 20 10 EECDHN CCNC(=O)OC1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237680382 1306041474 /nfs/dbraw/zinc/04/14/74/1306041474.db2.gz JOJLIADBMBWTHK-UHFFFAOYSA-N 0 3 338.404 2.120 20 10 EECDHN CNc1ncccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120785434 1309749768 /nfs/dbraw/zinc/74/97/68/1309749768.db2.gz AHRUEESFUIHAJR-QGZVFWFLSA-N 0 3 341.459 2.222 20 10 EECDHN CCNC(=O)CO[C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673006 1314757030 /nfs/dbraw/zinc/75/70/30/1314757030.db2.gz NRDHUJBDPJANMX-KRWDZBQOSA-N 0 3 333.476 2.178 20 10 EECDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841849532 1315622529 /nfs/dbraw/zinc/62/25/29/1315622529.db2.gz ZLALBEZKHGQLFP-NWDGAFQWSA-N 0 3 330.457 2.139 20 10 EECDHN [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC12CCOCC2 ZINC000843125406 1315849437 /nfs/dbraw/zinc/84/94/37/1315849437.db2.gz VSQZSFNUNJRCLA-GFCCVEGCSA-N 0 3 328.815 2.372 20 10 EECDHN C[N@H+](CCN1CCOCC1)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249223248 1317027756 /nfs/dbraw/zinc/02/77/56/1317027756.db2.gz CKJLKAHVTPAFFE-UHFFFAOYSA-N 0 3 332.444 2.340 20 10 EECDHN C[N@@H+](CCN1CCOCC1)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249223248 1317027760 /nfs/dbraw/zinc/02/77/60/1317027760.db2.gz CKJLKAHVTPAFFE-UHFFFAOYSA-N 0 3 332.444 2.340 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[NH+]2CCC(O)CC2)c([O-])c1 ZINC001249723603 1317158705 /nfs/dbraw/zinc/15/87/05/1317158705.db2.gz BUSNZQPWFWLFJE-UHFFFAOYSA-N 0 3 337.416 2.071 20 10 EECDHN NCc1cnccc1Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001159784507 1319989996 /nfs/dbraw/zinc/98/99/96/1319989996.db2.gz PIAZYODMHDJHGQ-UHFFFAOYSA-N 0 3 345.358 2.187 20 10 EECDHN COc1ccc(N2CCN(CCCNc3cncc(N)c3)CC2)cc1 ZINC001164334716 1321354242 /nfs/dbraw/zinc/35/42/42/1321354242.db2.gz YWJXWAROKMWCEV-UHFFFAOYSA-N 0 3 341.459 2.297 20 10 EECDHN COc1ccc(CN2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203622272 1321924884 /nfs/dbraw/zinc/92/48/84/1321924884.db2.gz WQBDRPLPQYDORY-UGSOOPFHSA-N 0 3 334.416 2.500 20 10 EECDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001263096091 1322432436 /nfs/dbraw/zinc/43/24/36/1322432436.db2.gz GYIXLJQMHZUGSZ-KXBFYZLASA-N 0 3 347.503 2.275 20 10 EECDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H](C)CN1C ZINC001324159131 1333621280 /nfs/dbraw/zinc/62/12/80/1333621280.db2.gz MWDFTMCCJXMHHF-HZPDHXFCSA-N 0 3 334.483 2.102 20 10 EECDHN CC1=NO[C@](C)(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001337399623 1336695730 /nfs/dbraw/zinc/69/57/30/1336695730.db2.gz KEHJGQHLRGXUIK-AEFFLSMTSA-N 0 3 332.448 2.026 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c(OC)c1 ZINC001141030802 1372745419 /nfs/dbraw/zinc/74/54/19/1372745419.db2.gz LUYNITJCYOSAKF-GFCCVEGCSA-N 0 3 333.388 2.480 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](c3nnc(C)o3)C2)c(OC)c1 ZINC001141030802 1372745423 /nfs/dbraw/zinc/74/54/23/1372745423.db2.gz LUYNITJCYOSAKF-GFCCVEGCSA-N 0 3 333.388 2.480 20 10 EECDHN COc1cc(O)c(CN2CC[C@H](Oc3nccc(C)n3)C2)c(OC)c1 ZINC001141032450 1372745755 /nfs/dbraw/zinc/74/57/55/1372745755.db2.gz CHYRCJZERXRWHY-ZDUSSCGKSA-N 0 3 345.399 2.161 20 10 EECDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001577939401 1403695359 /nfs/dbraw/zinc/69/53/59/1403695359.db2.gz HJKHVMXIWRCAQE-IBGZPJMESA-N 0 3 345.487 2.322 20 10 EECDHN C[C@H](NC[C@H]1C[NH2+]CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000817982090 785131458 /nfs/dbraw/zinc/13/14/58/785131458.db2.gz PLHGZGNRSBSEHT-GXSJLCMTSA-N 0 3 347.228 2.323 20 10 EECDHN C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000817981982 785131561 /nfs/dbraw/zinc/13/15/61/785131561.db2.gz OZAXVBZZXYEHLG-UWVGGRQHSA-N 0 3 347.228 2.323 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CCN2CCCC2=O)c1[O-] ZINC000846084925 790045520 /nfs/dbraw/zinc/04/55/20/790045520.db2.gz HBTNCJFXWRLVRN-UHFFFAOYSA-N 0 3 327.222 2.175 20 10 EECDHN COc1ccc(O)c(CNCc2cc(Br)nn2C)c1 ZINC000785468925 800049972 /nfs/dbraw/zinc/04/99/72/800049972.db2.gz MGKCWQULNQHCPL-UHFFFAOYSA-N 0 3 326.194 2.187 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)C3CC3)CC2)cc1 ZINC000073779398 802265531 /nfs/dbraw/zinc/26/55/31/802265531.db2.gz LEFKHXRNDVUYSV-OAHLLOKOSA-N 0 3 331.460 2.074 20 10 EECDHN O=C(c1ccccc1)N1CCC[C@H](NCc2ccc(O)c(O)c2)C1 ZINC001169736767 804023548 /nfs/dbraw/zinc/02/35/48/804023548.db2.gz RMDZWCOVRZTDCM-INIZCTEOSA-N 0 3 326.396 2.492 20 10 EECDHN C[N@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccccc1[O-] ZINC000111235480 529872015 /nfs/dbraw/zinc/87/20/15/529872015.db2.gz HABLEVNLWJSOHM-UHFFFAOYSA-N 0 3 333.413 2.013 20 10 EECDHN C[N@@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccccc1[O-] ZINC000111235480 529872017 /nfs/dbraw/zinc/87/20/17/529872017.db2.gz HABLEVNLWJSOHM-UHFFFAOYSA-N 0 3 333.413 2.013 20 10 EECDHN COc1cc(O)c(CN2CCS[C@H]3COCC[C@@H]32)cc1OC ZINC000271106368 464281368 /nfs/dbraw/zinc/28/13/68/464281368.db2.gz RTCCPOSKGFIKJR-LRDDRELGSA-N 0 3 325.430 2.116 20 10 EECDHN CN(C)[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000089314051 462666205 /nfs/dbraw/zinc/66/62/05/462666205.db2.gz NIZHDLGDRGPONQ-LBPRGKRZSA-N 0 3 328.507 2.361 20 10 EECDHN CCOc1ccc(O)c(CN2CCC([C@@H](O)c3nccn3C)CC2)c1 ZINC000093454998 463037835 /nfs/dbraw/zinc/03/78/35/463037835.db2.gz RFHCPNGNHWMZAM-GOSISDBHSA-N 0 3 345.443 2.470 20 10 EECDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1 ZINC000093454998 463037840 /nfs/dbraw/zinc/03/78/40/463037840.db2.gz RFHCPNGNHWMZAM-GOSISDBHSA-N 0 3 345.443 2.470 20 10 EECDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CN1C1CC1 ZINC000126124935 463608365 /nfs/dbraw/zinc/60/83/65/463608365.db2.gz RATUKIIQAXJTQX-NVXWUHKLSA-N 0 3 340.471 2.487 20 10 EECDHN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(F)ccc1[O-] ZINC000185141312 463761522 /nfs/dbraw/zinc/76/15/22/463761522.db2.gz ATHWMFZSZDILNA-SUMWQHHRSA-N 0 3 340.464 2.390 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c([O-])c1 ZINC000186100746 463937282 /nfs/dbraw/zinc/93/72/82/463937282.db2.gz ULXXCUIQYYOJOV-ZDUSSCGKSA-N 0 3 338.473 2.308 20 10 EECDHN CN(C)CC1(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCC1 ZINC000281088658 464327769 /nfs/dbraw/zinc/32/77/69/464327769.db2.gz OULHZHVDUPZFFH-RMKNXTFCSA-N 0 3 343.471 2.137 20 10 EECDHN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000281610657 464520907 /nfs/dbraw/zinc/52/09/07/464520907.db2.gz MWURFRBZSOCAKZ-CABCVRRESA-N 0 3 349.450 2.324 20 10 EECDHN COc1ccc([O-])c(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000182125131 464577515 /nfs/dbraw/zinc/57/75/15/464577515.db2.gz OKJCPZDGXXOMDW-QGZVFWFLSA-N 0 3 346.427 2.465 20 10 EECDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1C ZINC000285509113 464589949 /nfs/dbraw/zinc/58/99/49/464589949.db2.gz NHESHSYMPWXVON-ZBFHGGJFSA-N 0 3 340.489 2.207 20 10 EECDHN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccccc1[O-] ZINC000285519139 464594219 /nfs/dbraw/zinc/59/42/19/464594219.db2.gz BSEBVRXHFNJOKH-WZYMTQMTSA-N 0 3 331.460 2.126 20 10 EECDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000182464937 464662486 /nfs/dbraw/zinc/66/24/86/464662486.db2.gz DSIHKHIJCBXVEY-JOYOIKCWSA-N 0 3 332.322 2.215 20 10 EECDHN CN(CCN(C)C1CC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000274589220 464749697 /nfs/dbraw/zinc/74/96/97/464749697.db2.gz QHCLHBKBTVVCDY-BJMVGYQFSA-N 0 3 343.471 2.089 20 10 EECDHN CN(C)C1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC000275419829 464774050 /nfs/dbraw/zinc/77/40/50/464774050.db2.gz HMIABTSMWPIIFA-UHFFFAOYSA-N 0 3 330.476 2.353 20 10 EECDHN C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccccc1[O-] ZINC000183424240 464863042 /nfs/dbraw/zinc/86/30/42/464863042.db2.gz LHLDQBUYFNYUKW-OAHLLOKOSA-N 0 3 326.444 2.390 20 10 EECDHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000267438620 464932385 /nfs/dbraw/zinc/93/23/85/464932385.db2.gz BSEWHWSCHZNFKA-QPGLYAHGSA-N 0 3 343.471 2.089 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000295824942 464977369 /nfs/dbraw/zinc/97/73/69/464977369.db2.gz CCJYEBLVCFMQSB-QRQLOZEOSA-N 0 3 345.487 2.114 20 10 EECDHN O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000364487638 466701887 /nfs/dbraw/zinc/70/18/87/466701887.db2.gz SCMCYBUHKWNKQZ-LJQANCHMSA-N 0 3 338.363 2.217 20 10 EECDHN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000364487638 466701892 /nfs/dbraw/zinc/70/18/92/466701892.db2.gz SCMCYBUHKWNKQZ-LJQANCHMSA-N 0 3 338.363 2.217 20 10 EECDHN C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000370071209 466765979 /nfs/dbraw/zinc/76/59/79/466765979.db2.gz GIHFSHKDQWPRCK-KBPBESRZSA-N 0 3 325.412 2.421 20 10 EECDHN COc1cc(Cl)cc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1O ZINC000188889758 533952873 /nfs/dbraw/zinc/95/28/73/533952873.db2.gz JCBVDKAFTGRWEZ-GFCCVEGCSA-N 0 3 342.867 2.331 20 10 EECDHN COc1ccc(N2CCC(NC(=O)NCc3cn[nH]c3C)CC2)cc1 ZINC000727238223 576414681 /nfs/dbraw/zinc/41/46/81/576414681.db2.gz PUZPFLFCXFHJIC-UHFFFAOYSA-N 0 3 343.431 2.195 20 10 EECDHN CCc1nncn1CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766313653 577517147 /nfs/dbraw/zinc/51/71/47/577517147.db2.gz JUZHGPVMFXOZSK-CQSZACIVSA-N 0 3 347.438 2.167 20 10 EECDHN COc1cc(Cl)cc(CN2CCC3(COC(=O)N3)CC2)c1O ZINC000761216592 577679430 /nfs/dbraw/zinc/67/94/30/577679430.db2.gz OPGZIUFOFQXJHM-UHFFFAOYSA-N 0 3 326.780 2.129 20 10 EECDHN CCNC(=O)C1(CNCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000752930515 577778458 /nfs/dbraw/zinc/77/84/58/577778458.db2.gz JBWCDBOLMOLBIH-UHFFFAOYSA-N 0 3 349.450 2.058 20 10 EECDHN C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cc(F)ccc1[O-] ZINC000756358930 577842680 /nfs/dbraw/zinc/84/26/80/577842680.db2.gz BBYOJIAFBCUMEV-GFCCVEGCSA-N 0 3 349.406 2.437 20 10 EECDHN CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)C[C@@H]1O ZINC000770380745 578156781 /nfs/dbraw/zinc/15/67/81/578156781.db2.gz NPCMPFVUKQVAGW-SKDRFNHKSA-N 0 3 330.222 2.366 20 10 EECDHN CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(CC)CC ZINC000735989103 578176595 /nfs/dbraw/zinc/17/65/95/578176595.db2.gz BKEQRVSFBWRROP-GOSISDBHSA-N 0 3 333.476 2.464 20 10 EECDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1-c1nnn[n-]1 ZINC000821817910 599423476 /nfs/dbraw/zinc/42/34/76/599423476.db2.gz BJDFJGIMQRGMFB-UHFFFAOYSA-N 0 3 337.383 2.100 20 10 EECDHN CCC(CC)(CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246242 676238400 /nfs/dbraw/zinc/23/84/00/676238400.db2.gz BDELLOJZEHMXBB-QGZVFWFLSA-N 0 3 335.492 2.270 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@](C)(O)C2CCC2)N(C)C)cc1 ZINC000891249296 676243465 /nfs/dbraw/zinc/24/34/65/676243465.db2.gz QKLNZEYXGVOKPC-MJGOQNOKSA-N 0 3 333.476 2.023 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(CO)c2)N(C)C)cc1 ZINC000891249392 676244127 /nfs/dbraw/zinc/24/41/27/676244127.db2.gz SGUOJBLSETUJCG-IBGZPJMESA-N 0 3 341.455 2.278 20 10 EECDHN Cc1ccn(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250069 676245909 /nfs/dbraw/zinc/24/59/09/676245909.db2.gz YQCAQFBEESKRSQ-QGZVFWFLSA-N 0 3 328.460 2.432 20 10 EECDHN Cc1nc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000891251071 676247195 /nfs/dbraw/zinc/24/71/95/676247195.db2.gz CXGZRTOHHORDHV-MRXNPFEDSA-N 0 3 330.432 2.390 20 10 EECDHN Cc1noc(C)c1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255446 676252812 /nfs/dbraw/zinc/25/28/12/676252812.db2.gz PKYBSVKJTWHUPY-GOSISDBHSA-N 0 3 344.459 2.319 20 10 EECDHN COc1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)c(O)c1OC ZINC000891949520 677732264 /nfs/dbraw/zinc/73/22/64/677732264.db2.gz UCUKXIRTUPZIOK-OAHLLOKOSA-N 0 3 348.443 2.386 20 10 EECDHN CCOC[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894309349 682351038 /nfs/dbraw/zinc/35/10/38/682351038.db2.gz CFWYGNRBGJESKJ-YOEHRIQHSA-N 0 3 336.480 2.080 20 10 EECDHN COC(=O)c1c(CNCCc2ccn(C)n2)c2cc(F)ccc2n1C ZINC000894466288 682913586 /nfs/dbraw/zinc/91/35/86/682913586.db2.gz FMINYMXOYAGWOJ-UHFFFAOYSA-N 0 3 344.390 2.170 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NOC/C=C/Cl)N(C)C)cc1 ZINC000894991360 683453631 /nfs/dbraw/zinc/45/36/31/683453631.db2.gz NUVPBHWOASLLSZ-HYJLXUOHSA-N 0 3 340.855 2.339 20 10 EECDHN C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895332482 684502415 /nfs/dbraw/zinc/50/24/15/684502415.db2.gz WIMNEZRNLCQNOW-PXNSSMCTSA-N 0 3 343.423 2.289 20 10 EECDHN C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895332482 684502419 /nfs/dbraw/zinc/50/24/19/684502419.db2.gz WIMNEZRNLCQNOW-PXNSSMCTSA-N 0 3 343.423 2.289 20 10 EECDHN OCCc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000898172521 691890465 /nfs/dbraw/zinc/89/04/65/691890465.db2.gz MLASBGDQSOQNAB-UHFFFAOYSA-N 0 3 344.430 2.487 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CC(F)F)N(C)C)cc1 ZINC000899102247 693606524 /nfs/dbraw/zinc/60/65/24/693606524.db2.gz OUXHHLWFLJNAOB-AWEZNQCLSA-N 0 3 328.407 2.262 20 10 EECDHN C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@H](C)CO1 ZINC000899103447 693607064 /nfs/dbraw/zinc/60/70/64/693607064.db2.gz MKWMCGFVEHWKEF-RKVPGOIHSA-N 0 3 348.491 2.174 20 10 EECDHN CC(C)=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1[O-])C2 ZINC001272619322 1190933917 /nfs/dbraw/zinc/93/39/17/1190933917.db2.gz UEMKYFQPCGZZJY-HXUWFJFHSA-N 0 3 344.455 2.409 20 10 EECDHN CC(C)=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272619322 1190933919 /nfs/dbraw/zinc/93/39/19/1190933919.db2.gz UEMKYFQPCGZZJY-HXUWFJFHSA-N 0 3 344.455 2.409 20 10 EECDHN CO[C@@H](C)CN1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700311 1195092423 /nfs/dbraw/zinc/09/24/23/1195092423.db2.gz XCEMIYLXKOTLGP-WFASDCNBSA-N 0 3 347.419 2.030 20 10 EECDHN COc1ccc(N2CCCN(C(=O)[C@@H](N)CCC(C)C)CC2)cc1 ZINC000876733274 1199745562 /nfs/dbraw/zinc/74/55/62/1199745562.db2.gz UFOBQOCFUMITRZ-SFHVURJKSA-N 0 3 333.476 2.497 20 10 EECDHN Cc1ccc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)c([O-])c1 ZINC000877145942 1199869596 /nfs/dbraw/zinc/86/95/96/1199869596.db2.gz MFWAUMZTHLWBFC-OAHLLOKOSA-N 0 3 343.349 2.364 20 10 EECDHN CCNS(=O)(=O)c1cccc(CNCc2ccc(C)cc2O)c1 ZINC000877582855 1199972440 /nfs/dbraw/zinc/97/24/40/1199972440.db2.gz ASRPNVFMDCIVFL-UHFFFAOYSA-N 0 3 334.441 2.289 20 10 EECDHN O=C(NC1CC1)OC[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000811511810 1200120047 /nfs/dbraw/zinc/12/00/47/1200120047.db2.gz VFPQVIYHSGOIPT-AWEZNQCLSA-N 0 3 348.399 2.364 20 10 EECDHN COC(=O)CCN(Cc1ccc(N(C)C)c(F)c1)C[C@H]1CCCO1 ZINC000127294926 1200638304 /nfs/dbraw/zinc/63/83/04/1200638304.db2.gz IFRAGXHSXASYLY-OAHLLOKOSA-N 0 3 338.423 2.436 20 10 EECDHN C[C@@H](N[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1ccccc1O ZINC000879648633 1201193681 /nfs/dbraw/zinc/19/36/81/1201193681.db2.gz WZAVVITWMSQZNY-OLZOCXBDSA-N 0 3 339.395 2.417 20 10 EECDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000879648633 1201193684 /nfs/dbraw/zinc/19/36/84/1201193684.db2.gz WZAVVITWMSQZNY-OLZOCXBDSA-N 0 3 339.395 2.417 20 10 EECDHN COc1cccc([C@@H](C)NC[C@H](n2cncn2)C(F)(F)F)c1O ZINC000866436023 1201517176 /nfs/dbraw/zinc/51/71/76/1201517176.db2.gz IVUYRTYGRBQZOH-SKDRFNHKSA-N 0 3 330.310 2.447 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302227 1204990498 /nfs/dbraw/zinc/99/04/98/1204990498.db2.gz YSMBKRKXKKYQPV-AUUYWEPGSA-N 0 3 330.428 2.103 20 10 EECDHN CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274302227 1204990500 /nfs/dbraw/zinc/99/05/00/1204990500.db2.gz YSMBKRKXKKYQPV-AUUYWEPGSA-N 0 3 330.428 2.103 20 10 EECDHN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CNC2 ZINC000827567271 1248463820 /nfs/dbraw/zinc/46/38/20/1248463820.db2.gz FYBGJLBAKZBCPD-UHFFFAOYSA-N 0 3 337.423 2.056 20 10 EECDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C[NH2+]CC[C@H]3F)cccc21 ZINC001218319694 1297631208 /nfs/dbraw/zinc/63/12/08/1297631208.db2.gz WSWGZMCMUHRZEI-DOMZBBRYSA-N 0 3 341.338 2.246 20 10 EECDHN COc1ccc(N2CCC[C@@]3(CCCN(CC(=O)N(C)C)C3)C2)cc1 ZINC001276924207 1300285351 /nfs/dbraw/zinc/28/53/51/1300285351.db2.gz FSBSLHJVRROLSP-HXUWFJFHSA-N 0 3 345.487 2.466 20 10 EECDHN c1c[nH]c(CN2C[C@@H]3CCN(c4ccc5c(c4)OCCO5)[C@@H]3C2)c1 ZINC001277014924 1300837394 /nfs/dbraw/zinc/83/73/94/1300837394.db2.gz YVVPCQWUPROVOA-WMLDXEAASA-N 0 3 325.412 2.497 20 10 EECDHN COCCN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001277445082 1303052988 /nfs/dbraw/zinc/05/29/88/1303052988.db2.gz AQNCIDGORMEBPM-YLJYHZDGSA-N 0 3 346.471 2.489 20 10 EECDHN COCCN(C)C(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001277445082 1303052995 /nfs/dbraw/zinc/05/29/95/1303052995.db2.gz AQNCIDGORMEBPM-YLJYHZDGSA-N 0 3 346.471 2.489 20 10 EECDHN COc1ccc(Br)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC001231550820 1303843299 /nfs/dbraw/zinc/84/32/99/1303843299.db2.gz RVMZDGLYESDQHA-AOOOYVTPSA-N 0 3 328.206 2.242 20 10 EECDHN COc1ccc(Br)c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC001231550820 1303843306 /nfs/dbraw/zinc/84/33/06/1303843306.db2.gz RVMZDGLYESDQHA-AOOOYVTPSA-N 0 3 328.206 2.242 20 10 EECDHN COc1cc(CN2CCC(NC(=O)CC(C)C)CC2)c(O)cc1O ZINC001231635754 1303873680 /nfs/dbraw/zinc/87/36/80/1303873680.db2.gz KDFFPXITHCMTBC-UHFFFAOYSA-N 0 3 336.432 2.233 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCN(C2CCOCC2)CC1 ZINC001231853586 1303930995 /nfs/dbraw/zinc/93/09/95/1303930995.db2.gz MGBMVCMFRLSOOT-UHFFFAOYSA-N 0 3 333.476 2.058 20 10 EECDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H](O)CO ZINC001233197067 1304392424 /nfs/dbraw/zinc/39/24/24/1304392424.db2.gz VZJKXVYCLXXEPQ-GFCCVEGCSA-N 0 3 340.217 2.093 20 10 EECDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H](O)CO ZINC001233197067 1304392431 /nfs/dbraw/zinc/39/24/31/1304392431.db2.gz VZJKXVYCLXXEPQ-GFCCVEGCSA-N 0 3 340.217 2.093 20 10 EECDHN O=C1NCC[C@]12CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233736585 1304573536 /nfs/dbraw/zinc/57/35/36/1304573536.db2.gz NQTIOVQTRWINLQ-HNNXBMFYSA-N 0 3 344.333 2.393 20 10 EECDHN O=C1NCC[C@]12CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233736585 1304573539 /nfs/dbraw/zinc/57/35/39/1304573539.db2.gz NQTIOVQTRWINLQ-HNNXBMFYSA-N 0 3 344.333 2.393 20 10 EECDHN [O-]c1cc(C(F)(F)F)ccc1CN1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001236165217 1305521113 /nfs/dbraw/zinc/52/11/13/1305521113.db2.gz KLIMMUULKKNBMA-AWEZNQCLSA-N 0 3 330.350 2.100 20 10 EECDHN O=C1NCCN1[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001116440393 1305883807 /nfs/dbraw/zinc/88/38/07/1305883807.db2.gz FXSVGSZEURAUPQ-GOSISDBHSA-N 0 3 328.460 2.276 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001237489055 1305956071 /nfs/dbraw/zinc/95/60/71/1305956071.db2.gz UTCUNGIATQGWQS-HUUCEWRRSA-N 0 3 326.396 2.498 20 10 EECDHN NC(=O)c1ccccc1N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834578447 1314850346 /nfs/dbraw/zinc/85/03/46/1314850346.db2.gz PUJPABXYJVOEAR-ZBFHGGJFSA-N 0 3 337.423 2.347 20 10 EECDHN Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000840913053 1315434559 /nfs/dbraw/zinc/43/45/59/1315434559.db2.gz DMHDIWDSHVAYCW-LJQANCHMSA-N 0 3 345.487 2.274 20 10 EECDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)CN1 ZINC000841706475 1315600832 /nfs/dbraw/zinc/60/08/32/1315600832.db2.gz GMVYNFLMEIKTAC-CABCVRRESA-N 0 3 348.516 2.132 20 10 EECDHN Cc1cc(C[N@@H+](C)CCC(=O)N(C)C)c([O-])cc1Br ZINC001250134319 1317217880 /nfs/dbraw/zinc/21/78/80/1317217880.db2.gz ZKVSDSFLUWXBDQ-UHFFFAOYSA-N 0 3 329.238 2.373 20 10 EECDHN Cc1cc(C[N@H+](C)CCC(=O)N(C)C)c([O-])cc1Br ZINC001250134319 1317217888 /nfs/dbraw/zinc/21/78/88/1317217888.db2.gz ZKVSDSFLUWXBDQ-UHFFFAOYSA-N 0 3 329.238 2.373 20 10 EECDHN C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872155 1320299395 /nfs/dbraw/zinc/29/93/95/1320299395.db2.gz IGORBYJYIPBSQP-IBGZPJMESA-N 0 3 328.387 2.376 20 10 EECDHN O=C([C@H]1C[N@@H+](Cc2ccccc2[O-])CC12CCOCC2)N1CC=CC1 ZINC001203551781 1321910603 /nfs/dbraw/zinc/91/06/03/1321910603.db2.gz NVLPLTOGJSVEBD-QGZVFWFLSA-N 0 3 342.439 2.019 20 10 EECDHN O=C([C@H]1C[N@H+](Cc2ccccc2[O-])CC12CCOCC2)N1CC=CC1 ZINC001203551781 1321910606 /nfs/dbraw/zinc/91/06/06/1321910606.db2.gz NVLPLTOGJSVEBD-QGZVFWFLSA-N 0 3 342.439 2.019 20 10 EECDHN O=C1N(Cc2cccnc2)CC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203553050 1321911159 /nfs/dbraw/zinc/91/11/59/1321911159.db2.gz ZNUGCRNNMLETDD-FQEVSTJZSA-N 0 3 337.423 2.412 20 10 EECDHN O=C1N(Cc2cccnc2)CC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203553050 1321911160 /nfs/dbraw/zinc/91/11/60/1321911160.db2.gz ZNUGCRNNMLETDD-FQEVSTJZSA-N 0 3 337.423 2.412 20 10 EECDHN COc1cc(Br)cc(CN2CCN3CC[C@@H]3C2)c1O ZINC001204340704 1322115662 /nfs/dbraw/zinc/11/56/62/1322115662.db2.gz ZMDMTTZGMOFLAW-GFCCVEGCSA-N 0 3 327.222 2.053 20 10 EECDHN CCN(Cc1cnn(C)c1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319706200 1332746490 /nfs/dbraw/zinc/74/64/90/1332746490.db2.gz ZKTAGNCJTLHYFX-UHFFFAOYSA-N 0 3 345.466 2.333 20 10 EECDHN CN1CCN(c2ccc(CN3CCC(C)(CO)CC3)cc2F)CC1 ZINC001342569214 1337318275 /nfs/dbraw/zinc/31/82/75/1337318275.db2.gz JSOLOWALPNWJDC-UHFFFAOYSA-N 0 3 335.467 2.172 20 10 EECDHN C[C@@H](C[S@@](C)=O)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000784652339 1371430896 /nfs/dbraw/zinc/43/08/96/1371430896.db2.gz UYHILDSNVQEMFF-ZAMGYDSWSA-N 0 3 339.461 2.442 20 10 EECDHN CCN(CC)c1ccc(CN2CC(N(C)[C@H]3CCOC3)C2)c(O)c1 ZINC001140856063 1372698661 /nfs/dbraw/zinc/69/86/61/1372698661.db2.gz QCCJPLKIXUPXJU-KRWDZBQOSA-N 0 3 333.476 2.143 20 10 EECDHN COc1cc(O)c(CN2CCC(c3nnc(C)o3)CC2)c(OC)c1 ZINC001141031168 1372745330 /nfs/dbraw/zinc/74/53/30/1372745330.db2.gz YNIZUTFCTNKXFO-UHFFFAOYSA-N 0 3 333.388 2.480 20 10 EECDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000780904398 761927136 /nfs/dbraw/zinc/92/71/36/761927136.db2.gz ZAKRPGMPGROUKU-LJQANCHMSA-N 0 3 335.467 2.434 20 10 EECDHN COCCN(CC[NH+](C)C)Cc1cc(C)cc(Br)c1[O-] ZINC000809741030 783351145 /nfs/dbraw/zinc/35/11/45/783351145.db2.gz OCDWNAWBZRDTEI-UHFFFAOYSA-N 0 3 345.281 2.473 20 10 EECDHN COCC[N@H+](CCN(C)C)Cc1cc(C)cc(Br)c1[O-] ZINC000809741030 783351150 /nfs/dbraw/zinc/35/11/50/783351150.db2.gz OCDWNAWBZRDTEI-UHFFFAOYSA-N 0 3 345.281 2.473 20 10 EECDHN COCC[N@@H+](CCN(C)C)Cc1cc(C)cc(Br)c1[O-] ZINC000809741030 783351156 /nfs/dbraw/zinc/35/11/56/783351156.db2.gz OCDWNAWBZRDTEI-UHFFFAOYSA-N 0 3 345.281 2.473 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)C3CC3)CC2)cc1 ZINC000073779395 777044823 /nfs/dbraw/zinc/04/48/23/777044823.db2.gz LEFKHXRNDVUYSV-HNNXBMFYSA-N 0 3 331.460 2.074 20 10 EECDHN CCN(C)C(C)(C)C(=O)NCCC1=CCN(c2ccc(C)nn2)CC1 ZINC001089848546 777997600 /nfs/dbraw/zinc/99/76/00/777997600.db2.gz IELNWLOCKYQDQN-UHFFFAOYSA-N 0 3 345.491 2.158 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCOc2ccccc2)c1 ZINC000182426305 778943987 /nfs/dbraw/zinc/94/39/87/778943987.db2.gz YHSMPPNIFWKEEC-CQSZACIVSA-N 0 3 344.411 2.247 20 10 EECDHN COc1cccc(O)c1CN(C)CCn1cc(Br)cn1 ZINC000809792810 783396446 /nfs/dbraw/zinc/39/64/46/783396446.db2.gz HRAOMAQDPKPPJN-UHFFFAOYSA-N 0 3 340.221 2.492 20 10 EECDHN O=[N+]([O-])c1cc(CNCCO[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000922941952 788388000 /nfs/dbraw/zinc/38/80/00/788388000.db2.gz ODZCUELSACXART-INIZCTEOSA-N 0 3 349.431 2.480 20 10 EECDHN COc1cccc([C@H](C)NCc2cccc(N3CCOCC3)n2)c1O ZINC000846165626 790068486 /nfs/dbraw/zinc/06/84/86/790068486.db2.gz WTYDTIVOIDJJKN-AWEZNQCLSA-N 0 3 343.427 2.483 20 10 EECDHN O=C1C[C@H]([NH2+]Cc2ccc(O)cc2[O-])CCN1Cc1ccccc1 ZINC001172671241 797065029 /nfs/dbraw/zinc/06/50/29/797065029.db2.gz LTHCAVOMLQPRHT-MRXNPFEDSA-N 0 3 326.396 2.379 20 10 EECDHN COc1cc(C(=O)NC2CCN(CC=C(C)C)CC2)cc(OC)n1 ZINC001003245151 799419181 /nfs/dbraw/zinc/41/91/81/799419181.db2.gz QVSLFUUMOHKCKO-UHFFFAOYSA-N 0 3 333.432 2.259 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1F ZINC000291840388 529781644 /nfs/dbraw/zinc/78/16/44/529781644.db2.gz LSRYTUVOYOGSPJ-GOSISDBHSA-N 0 3 334.439 2.129 20 10 EECDHN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1CCCCCC1 ZINC000074227812 462573195 /nfs/dbraw/zinc/57/31/95/462573195.db2.gz VBLDOICEMUFUNY-QGZVFWFLSA-N 0 3 345.487 2.404 20 10 EECDHN CCS(=O)(=O)C[C@@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000089636380 462701359 /nfs/dbraw/zinc/70/13/59/462701359.db2.gz PAMGIVRXUTVLCG-CQSZACIVSA-N 0 3 340.489 2.077 20 10 EECDHN COc1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1O ZINC000155499039 462900277 /nfs/dbraw/zinc/90/02/77/462900277.db2.gz JWEPWZIDKKHEOP-UHFFFAOYSA-N 0 3 348.443 2.052 20 10 EECDHN CN(C)S(=O)(=O)c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000054175612 463215722 /nfs/dbraw/zinc/21/57/22/463215722.db2.gz CEDBDWGTORTXTC-UHFFFAOYSA-N 0 3 346.452 2.162 20 10 EECDHN CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC1CC1 ZINC000070013770 463366033 /nfs/dbraw/zinc/36/60/33/463366033.db2.gz PGATXPHWLGYOJK-UHFFFAOYSA-N 0 3 331.460 2.076 20 10 EECDHN CN(C)CCOc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000164609573 463626904 /nfs/dbraw/zinc/62/69/04/463626904.db2.gz OPTNVSIATGUAMJ-UHFFFAOYSA-N 0 3 327.428 2.068 20 10 EECDHN CC[C@@H](N[C@H](C)c1ccc(N(C)CC)cc1)C(=O)N1CCOCC1 ZINC000165055975 463639182 /nfs/dbraw/zinc/63/91/82/463639182.db2.gz FPGFCUSYEHYNMM-CRAIPNDOSA-N 0 3 333.476 2.431 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c([O-])c1 ZINC000185161412 463765227 /nfs/dbraw/zinc/76/52/27/463765227.db2.gz DRXAAWUUMRBMLS-OAHLLOKOSA-N 0 3 348.468 2.471 20 10 EECDHN Cc1cccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c1[O-] ZINC000179950759 464213816 /nfs/dbraw/zinc/21/38/16/464213816.db2.gz IBJCLMOETOFTLV-UHFFFAOYSA-N 0 3 342.443 2.076 20 10 EECDHN CC[C@H](NCCS(=O)(=O)NC(C)C)c1ccc(N(C)C)cc1 ZINC000180471126 464316960 /nfs/dbraw/zinc/31/69/60/464316960.db2.gz ZYOSHVIIWVCBDR-INIZCTEOSA-N 0 3 327.494 2.121 20 10 EECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182160785 464587309 /nfs/dbraw/zinc/58/73/09/464587309.db2.gz FQYOIPREWBAIRI-AWEZNQCLSA-N 0 3 332.356 2.172 20 10 EECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182160785 464587312 /nfs/dbraw/zinc/58/73/12/464587312.db2.gz FQYOIPREWBAIRI-AWEZNQCLSA-N 0 3 332.356 2.172 20 10 EECDHN COCC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000182210586 464600002 /nfs/dbraw/zinc/60/00/02/464600002.db2.gz GTMHZLWIXOSGKK-AWEZNQCLSA-N 0 3 332.238 2.340 20 10 EECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000285700777 464663627 /nfs/dbraw/zinc/66/36/27/464663627.db2.gz OVDOQQMLWIVFCC-MGNMYUMUSA-N 0 3 345.487 2.435 20 10 EECDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000282487543 464837800 /nfs/dbraw/zinc/83/78/00/464837800.db2.gz XGNWFGGKVRIXHG-HZMBPMFUSA-N 0 3 329.366 2.386 20 10 EECDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000268090900 464950455 /nfs/dbraw/zinc/95/04/55/464950455.db2.gz AGFAESWFXFNUIB-KBXCAEBGSA-N 0 3 342.487 2.351 20 10 EECDHN CCOc1cccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1O ZINC000369141904 466716487 /nfs/dbraw/zinc/71/64/87/466716487.db2.gz GIIFKLFHNJYMAS-QGZVFWFLSA-N 0 3 331.416 2.460 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]Cc1ccc(Cn3cncn3)cc1)OCO2 ZINC000725845010 576064684 /nfs/dbraw/zinc/06/46/84/576064684.db2.gz GJAZPTSTFLJDTF-UHFFFAOYSA-N 0 3 338.367 2.051 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]Cc1ccccc1Cn1cncn1)OCO2 ZINC000725847209 576066685 /nfs/dbraw/zinc/06/66/85/576066685.db2.gz GJUNNNHPTQCZFX-UHFFFAOYSA-N 0 3 338.367 2.051 20 10 EECDHN O=C1OCCN1CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000731844971 577127402 /nfs/dbraw/zinc/12/74/02/577127402.db2.gz SNMSBHSEOHADEK-MRXNPFEDSA-N 0 3 334.416 2.216 20 10 EECDHN O=C1OCCN1CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000731844971 577127404 /nfs/dbraw/zinc/12/74/04/577127404.db2.gz SNMSBHSEOHADEK-MRXNPFEDSA-N 0 3 334.416 2.216 20 10 EECDHN C[C@@H]1CN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000731845702 577127537 /nfs/dbraw/zinc/12/75/37/577127537.db2.gz HVVKIIKWROXHRD-OAHLLOKOSA-N 0 3 332.444 2.384 20 10 EECDHN C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000731845702 577127538 /nfs/dbraw/zinc/12/75/38/577127538.db2.gz HVVKIIKWROXHRD-OAHLLOKOSA-N 0 3 332.444 2.384 20 10 EECDHN CNC(=O)C(C)(C)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000772950060 577307361 /nfs/dbraw/zinc/30/73/61/577307361.db2.gz KYELDHJGXGKLNI-UHFFFAOYSA-N 0 3 348.447 2.447 20 10 EECDHN COCCCN(C)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773321839 577333136 /nfs/dbraw/zinc/33/31/36/577333136.db2.gz MQCGUVZIIUBAIF-OAHLLOKOSA-N 0 3 336.480 2.081 20 10 EECDHN CN(CC(F)F)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000769511073 577579436 /nfs/dbraw/zinc/57/94/36/577579436.db2.gz RYUGEPJMWUZULY-UHFFFAOYSA-N 0 3 328.359 2.282 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1[O-] ZINC000761214319 577679372 /nfs/dbraw/zinc/67/93/72/577679372.db2.gz FSEAOENVYJOITD-GFCCVEGCSA-N 0 3 333.837 2.111 20 10 EECDHN CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000757706618 577862895 /nfs/dbraw/zinc/86/28/95/577862895.db2.gz XOIABRNEMQAJJU-CQSZACIVSA-N 0 3 340.489 2.413 20 10 EECDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCCO1 ZINC000891242368 676231858 /nfs/dbraw/zinc/23/18/58/676231858.db2.gz FRIDTVLKDIUXSJ-QGTPRVQTSA-N 0 3 333.476 2.287 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)COC(F)(F)F)N(C)C)cc1 ZINC000891243148 676233889 /nfs/dbraw/zinc/23/38/89/676233889.db2.gz JJZFQAXOKFJSHW-CYBMUJFWSA-N 0 3 333.354 2.008 20 10 EECDHN CCC(C)(C)[C@@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245538 676238352 /nfs/dbraw/zinc/23/83/52/676238352.db2.gz GFNRBCZWYBAJDM-SJORKVTESA-N 0 3 335.492 2.269 20 10 EECDHN CCO[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891245996 676239436 /nfs/dbraw/zinc/23/94/36/676239436.db2.gz LICPXJXZQCKJTK-QZTJIDSGSA-N 0 3 333.476 2.287 20 10 EECDHN Cc1oc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1CO ZINC000891246936 676242327 /nfs/dbraw/zinc/24/23/27/676242327.db2.gz QYANEFPOVXNSPY-QGZVFWFLSA-N 0 3 345.443 2.179 20 10 EECDHN C[C@@H]1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)O1 ZINC000891248547 676242709 /nfs/dbraw/zinc/24/27/09/676242709.db2.gz YJXDHHCQOPNJDW-KJWYOANISA-N 0 3 333.476 2.285 20 10 EECDHN Cc1noc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251224 676247594 /nfs/dbraw/zinc/24/75/94/676247594.db2.gz BARTUEGBLRHRLS-INIZCTEOSA-N 0 3 330.432 2.390 20 10 EECDHN COCCCN1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765369 1193487120 /nfs/dbraw/zinc/48/71/20/1193487120.db2.gz HMKCWLOMRKOOGV-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN COCCCN1CC[C@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765369 1193487122 /nfs/dbraw/zinc/48/71/22/1193487122.db2.gz HMKCWLOMRKOOGV-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN Cc1ccc(CN(CCN(C)C)C(=O)NCCc2ccc(N)cc2)o1 ZINC000841961978 1188209615 /nfs/dbraw/zinc/20/96/15/1188209615.db2.gz JBOMWICLZHSPEO-UHFFFAOYSA-N 0 3 344.459 2.486 20 10 EECDHN CCOCCN1CC[C@@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272636090 1190942439 /nfs/dbraw/zinc/94/24/39/1190942439.db2.gz BCZAYTHSYBRWRP-IBGZPJMESA-N 0 3 348.443 2.004 20 10 EECDHN Cc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c([O-])c1 ZINC000876923025 1199819911 /nfs/dbraw/zinc/81/99/11/1199819911.db2.gz PHTFZEHLKKSHAF-UHFFFAOYSA-N 0 3 345.443 2.435 20 10 EECDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c(Cn3cccn3)c2)[C@@H]1OC ZINC000877351901 1199911586 /nfs/dbraw/zinc/91/15/86/1199911586.db2.gz RPEGQHZIIXAMRY-UHOSZYNNSA-N 0 3 345.443 2.222 20 10 EECDHN OC1CCN(c2ccc(CN3CCC(O)(C(F)F)CC3)cc2)CC1 ZINC000877437640 1199931861 /nfs/dbraw/zinc/93/18/61/1199931861.db2.gz PFRBQZNBVHNRPS-UHFFFAOYSA-N 0 3 340.414 2.240 20 10 EECDHN CN1CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@@H](CO)C1 ZINC000877644356 1200003315 /nfs/dbraw/zinc/00/33/15/1200003315.db2.gz OMWMGKHDTOXIKO-GOSISDBHSA-N 0 3 342.439 2.080 20 10 EECDHN Cc1ncccc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324898 1202492613 /nfs/dbraw/zinc/49/26/13/1202492613.db2.gz LCAKSUUSDBMBJS-UHFFFAOYSA-N 0 3 338.455 2.382 20 10 EECDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924575651 1205998476 /nfs/dbraw/zinc/99/84/76/1205998476.db2.gz ZBFDZBVYCWODKY-GFCCVEGCSA-N 0 3 338.411 2.133 20 10 EECDHN CCC[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184362 1234072657 /nfs/dbraw/zinc/07/26/57/1234072657.db2.gz AFOILHSNFUGRLT-JKSUJKDBSA-N 0 3 332.448 2.076 20 10 EECDHN CC(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(O)c(O)cc1O ZINC001273842644 1286686787 /nfs/dbraw/zinc/68/67/87/1286686787.db2.gz FUYXRVVIFLHVCZ-ZIAGYGMSSA-N 0 3 334.416 2.025 20 10 EECDHN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(O)c(O)cc1O ZINC001273842956 1286697019 /nfs/dbraw/zinc/69/70/19/1286697019.db2.gz LWOOVQWPWORJFT-IACUBPJLSA-N 0 3 334.416 2.167 20 10 EECDHN OCc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)ccn1 ZINC000858352574 1294093440 /nfs/dbraw/zinc/09/34/40/1294093440.db2.gz CADIRZSMDIYOPF-UHFFFAOYSA-N 0 3 327.428 2.395 20 10 EECDHN COc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(CCCF)C2)cc(OC)n1 ZINC001071645486 1294717933 /nfs/dbraw/zinc/71/79/33/1294717933.db2.gz JXBZOXATFWDWGI-TZMCWYRMSA-N 0 3 339.411 2.041 20 10 EECDHN [O-]c1ccc(Cl)c(Cl)c1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222511068 1299646094 /nfs/dbraw/zinc/64/60/94/1299646094.db2.gz MQUDUNDNLLPKAS-STQMWFEESA-N 0 3 330.259 2.225 20 10 EECDHN Cc1cccc(CN2CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001231593578 1303859528 /nfs/dbraw/zinc/85/95/28/1303859528.db2.gz KBMRCKSDYAXCEW-HUUCEWRRSA-N 0 3 336.432 2.161 20 10 EECDHN CN(C)c1ccc(CN2CCCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC001232840335 1304266809 /nfs/dbraw/zinc/26/68/09/1304266809.db2.gz TVEOGBQUPXXCKC-UHFFFAOYSA-N 0 3 343.427 2.399 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC001233141002 1304373290 /nfs/dbraw/zinc/37/32/90/1304373290.db2.gz BQBKHVKOSFUCBV-TXEJJXNPSA-N 0 3 341.249 2.442 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC001233141002 1304373296 /nfs/dbraw/zinc/37/32/96/1304373296.db2.gz BQBKHVKOSFUCBV-TXEJJXNPSA-N 0 3 341.249 2.442 20 10 EECDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(C4COC4)CC3)c2c1 ZINC001234519132 1304950103 /nfs/dbraw/zinc/95/01/03/1304950103.db2.gz QFUPSASRNRDKET-UHFFFAOYSA-N 0 3 328.412 2.070 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4CCNC(=O)[C@@H]4C3)c2c1 ZINC001234561821 1304969481 /nfs/dbraw/zinc/96/94/81/1304969481.db2.gz BWITXFDOEQGVFJ-XJKSGUPXSA-N 0 3 326.396 2.122 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4CCNC(=O)[C@@H]4C3)c2c1 ZINC001234561821 1304969482 /nfs/dbraw/zinc/96/94/82/1304969482.db2.gz BWITXFDOEQGVFJ-XJKSGUPXSA-N 0 3 326.396 2.122 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CCC[NH2+][C@H]3C2)c(Br)c1 ZINC001235214310 1305152341 /nfs/dbraw/zinc/15/23/41/1305152341.db2.gz CGFOTUIWLWZKQM-YGRLFVJLSA-N 0 3 341.249 2.347 20 10 EECDHN COC(=O)[C@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CCN1 ZINC001235443524 1305233538 /nfs/dbraw/zinc/23/35/38/1305233538.db2.gz JKJIKURMSNRHJF-QGZVFWFLSA-N 0 3 344.386 2.145 20 10 EECDHN CN(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C[C@@H]1CC1(C)C ZINC001237208476 1305848496 /nfs/dbraw/zinc/84/84/96/1305848496.db2.gz CNAWZNSZDLUVBP-INIZCTEOSA-N 0 3 336.501 2.399 20 10 EECDHN Cc1cccc(O)c1CN1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001237481083 1305952696 /nfs/dbraw/zinc/95/26/96/1305952696.db2.gz CFZWJIPTOMYDCN-KBPBESRZSA-N 0 3 336.432 2.161 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001237640881 1306020985 /nfs/dbraw/zinc/02/09/85/1306020985.db2.gz HOALUXYWDGAZKV-HNAYVOBHSA-N 0 3 331.387 2.373 20 10 EECDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001237640881 1306020992 /nfs/dbraw/zinc/02/09/92/1306020992.db2.gz HOALUXYWDGAZKV-HNAYVOBHSA-N 0 3 331.387 2.373 20 10 EECDHN CCOC(=O)NC1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237683780 1306047592 /nfs/dbraw/zinc/04/75/92/1306047592.db2.gz KNSYRJGNDAYKKV-UHFFFAOYSA-N 0 3 338.404 2.120 20 10 EECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140062874 1314806986 /nfs/dbraw/zinc/80/69/86/1314806986.db2.gz HGCRJQPGTDQFQZ-CALCHBBNSA-N 0 3 327.403 2.490 20 10 EECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140062874 1314806987 /nfs/dbraw/zinc/80/69/87/1314806987.db2.gz HGCRJQPGTDQFQZ-CALCHBBNSA-N 0 3 327.403 2.490 20 10 EECDHN CCN1CCN(c2ccc(CN3CCc4nn(C)cc4C3)cc2)CC1 ZINC001140304265 1314862068 /nfs/dbraw/zinc/86/20/68/1314862068.db2.gz LFSRLCWRYWTRMJ-UHFFFAOYSA-N 0 3 339.487 2.120 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c(OC)c1 ZINC001141027417 1315019754 /nfs/dbraw/zinc/01/97/54/1315019754.db2.gz ZBFNNTGEZLWHAR-IBGZPJMESA-N 0 3 348.443 2.386 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c(OC)c1 ZINC001141027417 1315019758 /nfs/dbraw/zinc/01/97/58/1315019758.db2.gz ZBFNNTGEZLWHAR-IBGZPJMESA-N 0 3 348.443 2.386 20 10 EECDHN CCN1C(=O)CCC12CCN(Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141142333 1315049071 /nfs/dbraw/zinc/04/90/71/1315049071.db2.gz MGAZMYMUVHSIKX-UHFFFAOYSA-N 0 3 343.471 2.492 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC(C)(C)C[C@H]1C)cc2=O ZINC000839657922 1315226571 /nfs/dbraw/zinc/22/65/71/1315226571.db2.gz IHYIEBGWBJSUCW-LLVKDONJSA-N 0 3 332.404 2.232 20 10 EECDHN CCc1cc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000840154242 1315311015 /nfs/dbraw/zinc/31/10/15/1315311015.db2.gz VORVRYWGYWZGNW-IRXDYDNUSA-N 0 3 346.471 2.341 20 10 EECDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841850412 1315623062 /nfs/dbraw/zinc/62/30/62/1315623062.db2.gz SKWJQAGAIFQVIH-NWDGAFQWSA-N 0 3 330.457 2.139 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC(n3nccc3C)CC2)c([O-])c1 ZINC001249216644 1317024755 /nfs/dbraw/zinc/02/47/55/1317024755.db2.gz GLNBKWOFUWFWLG-UHFFFAOYSA-N 0 3 343.427 2.450 20 10 EECDHN O=C1N(c2cccnc2)CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274987 1322101311 /nfs/dbraw/zinc/10/13/11/1322101311.db2.gz KECDEEGBBGVWPH-UHFFFAOYSA-N 0 3 339.395 2.122 20 10 EECDHN COc1cccc(CN2CCCN(Cc3cc(C)on3)CC2)c1O ZINC001319715174 1332749211 /nfs/dbraw/zinc/74/92/11/1332749211.db2.gz HHHOQKMUIYOVTD-UHFFFAOYSA-N 0 3 331.416 2.405 20 10 EECDHN C[C@H]1[C@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001320424899 1332880673 /nfs/dbraw/zinc/88/06/73/1332880673.db2.gz UENVBYPQEFWOJQ-HOTGVXAUSA-N 0 3 334.483 2.102 20 10 EECDHN CN(C)c1cc(F)c(CNCCCNC(=O)C2CCC2)cc1F ZINC001328756757 1334515344 /nfs/dbraw/zinc/51/53/44/1334515344.db2.gz KKAYWKYCYXUNIC-UHFFFAOYSA-N 0 3 325.403 2.427 20 10 EECDHN COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1-c1nnn[n-]1 ZINC001609344593 1351939480 /nfs/dbraw/zinc/93/94/80/1351939480.db2.gz MXEYHRPHCVRFOH-UHFFFAOYSA-N 0 3 338.415 2.231 20 10 EECDHN CCN(CC)c1ccc(CN2CCCO[C@@H](C(=O)OC)C2)c(O)c1 ZINC001140857025 1372698970 /nfs/dbraw/zinc/69/89/70/1372698970.db2.gz LDZSFTZOFOOQLM-QGZVFWFLSA-N 0 3 336.432 2.002 20 10 EECDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)[C@@H]1COCC12OCCO2 ZINC000840796394 783005770 /nfs/dbraw/zinc/00/57/70/783005770.db2.gz MHHNVDGCPPXBCX-HOCLYGCPSA-N 0 3 333.428 2.385 20 10 EECDHN C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCO1 ZINC000893968022 780349725 /nfs/dbraw/zinc/34/97/25/780349725.db2.gz MJERHAIOLSKRJY-UWWQBHOKSA-N 0 3 348.491 2.222 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CCCc2cnn(C)n2)c1[O-] ZINC000816638421 784160757 /nfs/dbraw/zinc/16/07/57/784160757.db2.gz LNPZMKVRLGCDGC-UHFFFAOYSA-N 0 3 339.237 2.314 20 10 EECDHN CC[C@H]([NH2+]C[C@H]1CNCCO1)c1cc(Br)ccc1[O-] ZINC000817982398 785130242 /nfs/dbraw/zinc/13/02/42/785130242.db2.gz DFDXCOVBUGGERI-YPMHNXCESA-N 0 3 329.238 2.184 20 10 EECDHN COc1cc(Br)cc(C[NH2+]C[C@H](O)C2CCC2)c1[O-] ZINC000825240026 788531615 /nfs/dbraw/zinc/53/16/15/788531615.db2.gz FRCHDIOQIAUVLK-LBPRGKRZSA-N 0 3 330.222 2.414 20 10 EECDHN CC(C)NC(=O)NCCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000828062543 789176925 /nfs/dbraw/zinc/17/69/25/789176925.db2.gz KAYBVOGEJWNPAW-INIZCTEOSA-N 0 3 335.448 2.081 20 10 EECDHN Oc1cc(O)c(CN2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC001144509105 789909307 /nfs/dbraw/zinc/90/93/07/789909307.db2.gz LCXZMAGYAZNFFM-UHFFFAOYSA-N 0 3 332.375 2.260 20 10 EECDHN CC(C)N1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084860273 798512310 /nfs/dbraw/zinc/51/23/10/798512310.db2.gz IPDIGYNGDIYRMW-UKRRQHHQSA-N 0 3 329.404 2.404 20 10 EECDHN CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808716779 812820261 /nfs/dbraw/zinc/82/02/61/812820261.db2.gz VQQFWFTXJSCXMP-OCCSQVGLSA-N 0 3 331.840 2.419 20 10 EECDHN CO[C@]1(C)C[C@@H](NCC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000296371776 465173684 /nfs/dbraw/zinc/17/36/84/465173684.db2.gz SPVSTSGKVWXVRX-VQIMIIECSA-N 0 3 333.476 2.162 20 10 EECDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C)C1=O ZINC000076118444 462811059 /nfs/dbraw/zinc/81/10/59/462811059.db2.gz LYALUDVQMIDIGX-GFCCVEGCSA-N 0 3 327.222 2.207 20 10 EECDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C)C1=O ZINC000076118444 462811062 /nfs/dbraw/zinc/81/10/62/462811062.db2.gz LYALUDVQMIDIGX-GFCCVEGCSA-N 0 3 327.222 2.207 20 10 EECDHN CCS(=O)(=O)N(C)C1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000066859153 462938182 /nfs/dbraw/zinc/93/81/82/462938182.db2.gz FMADCCKZJWSSIK-UHFFFAOYSA-N 0 3 340.489 2.255 20 10 EECDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000151072735 463472928 /nfs/dbraw/zinc/47/29/28/463472928.db2.gz COYIDHMGRUKSFU-INIZCTEOSA-N 0 3 333.476 2.260 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@](CO)(c3ccccc3)C1)OCO2 ZINC000291243673 464148789 /nfs/dbraw/zinc/14/87/89/464148789.db2.gz LLKCMEXFSZUHRF-LJQANCHMSA-N 0 3 327.380 2.257 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@](CO)(c3ccccc3)C1)OCO2 ZINC000291243673 464148794 /nfs/dbraw/zinc/14/87/94/464148794.db2.gz LLKCMEXFSZUHRF-LJQANCHMSA-N 0 3 327.380 2.257 20 10 EECDHN CCOc1cccc(CN2CCN(CC3CCOCC3)CC2)c1O ZINC000179625776 464165327 /nfs/dbraw/zinc/16/53/27/464165327.db2.gz YMBWHLQFMIMWOD-UHFFFAOYSA-N 0 3 334.460 2.335 20 10 EECDHN CN1CCN(c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cn2)CC1 ZINC000264977614 464505918 /nfs/dbraw/zinc/50/59/18/464505918.db2.gz SQEITVMRVDSXTH-UHFFFAOYSA-N 0 3 346.862 2.482 20 10 EECDHN CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(CC)CC ZINC000265425161 464552608 /nfs/dbraw/zinc/55/26/08/464552608.db2.gz KOGOBQZIZSALLZ-SFHVURJKSA-N 0 3 333.476 2.260 20 10 EECDHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(CCOC)C2)cc1 ZINC000265488393 464577927 /nfs/dbraw/zinc/57/79/27/464577927.db2.gz ASICCKNWULOKDU-KRWDZBQOSA-N 0 3 348.491 2.053 20 10 EECDHN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccccc1[O-] ZINC000285519129 464594625 /nfs/dbraw/zinc/59/46/25/464594625.db2.gz BSEBVRXHFNJOKH-HNSVSWJLSA-N 0 3 331.460 2.126 20 10 EECDHN CN(C)c1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1F ZINC000285630291 464635141 /nfs/dbraw/zinc/63/51/41/464635141.db2.gz YPAZYSJYUBXUDV-UHFFFAOYSA-N 0 3 328.453 2.339 20 10 EECDHN CN1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC1=O ZINC000273127252 464705256 /nfs/dbraw/zinc/70/52/56/464705256.db2.gz AWPBUQHEYJSZBO-INIZCTEOSA-N 0 3 326.396 2.292 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1[O-] ZINC000275438551 464774644 /nfs/dbraw/zinc/77/46/44/464774644.db2.gz FRLFWVYKPHZQKF-WFASDCNBSA-N 0 3 337.807 2.408 20 10 EECDHN CCCN(CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000299359248 465713705 /nfs/dbraw/zinc/71/37/05/465713705.db2.gz ILACJRDWEOSSHK-UHFFFAOYSA-N 0 3 337.439 2.010 20 10 EECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370057619 466765885 /nfs/dbraw/zinc/76/58/85/466765885.db2.gz YOLVAIDTIDXULJ-QGZVFWFLSA-N 0 3 332.444 2.384 20 10 EECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370057619 466765890 /nfs/dbraw/zinc/76/58/90/466765890.db2.gz YOLVAIDTIDXULJ-QGZVFWFLSA-N 0 3 332.444 2.384 20 10 EECDHN Cn1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1=O ZINC000731844901 577127418 /nfs/dbraw/zinc/12/74/18/577127418.db2.gz QRFPEFJQUUGZSZ-QGZVFWFLSA-N 0 3 328.412 2.272 20 10 EECDHN Cn1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1=O ZINC000731844901 577127419 /nfs/dbraw/zinc/12/74/19/577127419.db2.gz QRFPEFJQUUGZSZ-QGZVFWFLSA-N 0 3 328.412 2.272 20 10 EECDHN COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000771628167 577222366 /nfs/dbraw/zinc/22/23/66/577222366.db2.gz FSKNJGNSRXJTEK-XJKSGUPXSA-N 0 3 349.427 2.229 20 10 EECDHN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000771628167 577222368 /nfs/dbraw/zinc/22/23/68/577222368.db2.gz FSKNJGNSRXJTEK-XJKSGUPXSA-N 0 3 349.427 2.229 20 10 EECDHN CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000775416287 577436911 /nfs/dbraw/zinc/43/69/11/577436911.db2.gz UHCQOBNYHRGNJH-INIZCTEOSA-N 0 3 334.441 2.411 20 10 EECDHN COc1cc(Br)cc(C[NH2+][C@H](CO)CC2CC2)c1[O-] ZINC000754836144 577814573 /nfs/dbraw/zinc/81/45/73/577814573.db2.gz YWMPVEFHLPLTHB-LBPRGKRZSA-N 0 3 330.222 2.414 20 10 EECDHN C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000756550842 577846477 /nfs/dbraw/zinc/84/64/77/577846477.db2.gz SUNZXNTUCQHUIS-OLZOCXBDSA-N 0 3 339.867 2.284 20 10 EECDHN C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756574613 577847155 /nfs/dbraw/zinc/84/71/55/577847155.db2.gz DIMRDPBEMODYLV-GXTWGEPZSA-N 0 3 339.430 2.490 20 10 EECDHN COc1ccc([O-])c(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1 ZINC000757905110 577866287 /nfs/dbraw/zinc/86/62/87/577866287.db2.gz DHNLQBDAWOTCAO-AWEZNQCLSA-N 0 3 348.830 2.488 20 10 EECDHN C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cncnc1 ZINC000891246739 676240027 /nfs/dbraw/zinc/24/00/27/676240027.db2.gz CMWPSPFNDFOZPP-KDOFPFPSSA-N 0 3 341.459 2.065 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cncs2)N(C)C)cc1 ZINC000891246771 676240181 /nfs/dbraw/zinc/24/01/81/676240181.db2.gz DELLLGPNUOULKA-MRXNPFEDSA-N 0 3 332.473 2.171 20 10 EECDHN C[C@@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)n1ccnc1 ZINC000891246902 676240943 /nfs/dbraw/zinc/24/09/43/676240943.db2.gz QROOZGIBFNNBMA-YJBOKZPZSA-N 0 3 343.475 2.319 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCOCC2)N(C)C)cc1 ZINC000891247516 676241911 /nfs/dbraw/zinc/24/19/11/676241911.db2.gz HZDVBDUDUSTLLQ-SJLPKXTDSA-N 0 3 333.476 2.288 20 10 EECDHN CCn1ccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249079 676245023 /nfs/dbraw/zinc/24/50/23/676245023.db2.gz PFMOEEWLGPRCFG-MRXNPFEDSA-N 0 3 329.448 2.002 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)C2(O)CCCCC2)N(C)C)cc1 ZINC000891252772 676248640 /nfs/dbraw/zinc/24/86/40/676248640.db2.gz NPGXSYFOINFPOP-QGZVFWFLSA-N 0 3 333.476 2.167 20 10 EECDHN C[C@@H](OCC1CC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256506 676252330 /nfs/dbraw/zinc/25/23/30/676252330.db2.gz YUBGHMOSJBXHHV-RDTXWAMCSA-N 0 3 333.476 2.287 20 10 EECDHN Cc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891255479 676252854 /nfs/dbraw/zinc/25/28/54/676252854.db2.gz QERDINFKTRUNQJ-LJQANCHMSA-N 0 3 340.471 2.418 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCCOC2)N(C)C)cc1 ZINC000892204988 678247819 /nfs/dbraw/zinc/24/78/19/678247819.db2.gz DPJSSZLUVZWFKG-QAPCUYQASA-N 0 3 348.491 2.081 20 10 EECDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCSC2)c1[O-] ZINC000176758369 683631218 /nfs/dbraw/zinc/63/12/18/683631218.db2.gz POTGRGLGWLTYNQ-ZDUSSCGKSA-N 0 3 348.262 2.121 20 10 EECDHN C[C@H]1NCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H]1C ZINC000841710553 1187439824 /nfs/dbraw/zinc/43/98/24/1187439824.db2.gz YRDSELAMBTVGAM-HUUCEWRRSA-N 0 3 348.516 2.132 20 10 EECDHN COC(C)(C)CN1CC[C@@]2(CCCN2Cc2ccc(O)cc2O)C1=O ZINC001272982712 1194291822 /nfs/dbraw/zinc/29/18/22/1194291822.db2.gz JURDSNHDLVYGJQ-IBGZPJMESA-N 0 3 348.443 2.090 20 10 EECDHN O=C1N(C2COC2)CC[C@@]12CCC[N@@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285612 1197955546 /nfs/dbraw/zinc/95/55/46/1197955546.db2.gz UBOAKBPKEVHUFE-IBGZPJMESA-N 0 3 348.418 2.135 20 10 EECDHN O=C1N(C2COC2)CC[C@@]12CCC[N@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001273285612 1197955551 /nfs/dbraw/zinc/95/55/51/1197955551.db2.gz UBOAKBPKEVHUFE-IBGZPJMESA-N 0 3 348.418 2.135 20 10 EECDHN CCc1nnc(CNCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000810176148 1199330370 /nfs/dbraw/zinc/33/03/70/1199330370.db2.gz IOJUMJOVGHQPRV-UHFFFAOYSA-N 0 3 331.489 2.142 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1Cl ZINC000826015794 1200255519 /nfs/dbraw/zinc/25/55/19/1200255519.db2.gz CTAKBXXIGDHKFY-AWEZNQCLSA-N 0 3 336.823 2.275 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1Cl ZINC000826015794 1200255523 /nfs/dbraw/zinc/25/55/23/1200255523.db2.gz CTAKBXXIGDHKFY-AWEZNQCLSA-N 0 3 336.823 2.275 20 10 EECDHN CCCn1nccc1NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000878359760 1200419462 /nfs/dbraw/zinc/41/94/62/1200419462.db2.gz CAXAVZSOWACCID-GFCCVEGCSA-N 0 3 332.404 2.297 20 10 EECDHN CC[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000883369924 1202054767 /nfs/dbraw/zinc/05/47/67/1202054767.db2.gz CLVYRPXQSRXKQK-PKOBYXMFSA-N 0 3 347.503 2.230 20 10 EECDHN CCOCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC001274302153 1204990198 /nfs/dbraw/zinc/99/01/98/1204990198.db2.gz WQJUTPDVCKSLPG-QGZVFWFLSA-N 0 3 346.471 2.455 20 10 EECDHN CC(C)=CCN1CC[C@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274837100 1205180165 /nfs/dbraw/zinc/18/01/65/1205180165.db2.gz SMJODMSDKUFRQZ-IBGZPJMESA-N 0 3 346.427 2.194 20 10 EECDHN COc1ccc(C[NH+]2CCC3(CN(C(=O)NC(C)C)C3)CC2)c([O-])c1 ZINC001275275859 1205295847 /nfs/dbraw/zinc/29/58/47/1205295847.db2.gz RIKJTXSVQQQDFG-UHFFFAOYSA-N 0 3 347.459 2.417 20 10 EECDHN Cc1ccc(C)c(CN2C[C@@H]3[C@H](C2)OCCN3C(=O)NC(C)C)c1O ZINC001275968886 1205608055 /nfs/dbraw/zinc/60/80/55/1205608055.db2.gz RAFCKXKRPANDBV-SJORKVTESA-N 0 3 347.459 2.012 20 10 EECDHN Cc1cnccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000930621968 1206571132 /nfs/dbraw/zinc/57/11/32/1206571132.db2.gz UQYXKZKEJPKAKJ-GOSISDBHSA-N 0 3 341.459 2.302 20 10 EECDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000091985289 1214372336 /nfs/dbraw/zinc/37/23/36/1214372336.db2.gz BQLSKWSSWZTNPH-VIFPVBQESA-N 0 3 346.221 2.404 20 10 EECDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000091985289 1214372344 /nfs/dbraw/zinc/37/23/44/1214372344.db2.gz BQLSKWSSWZTNPH-VIFPVBQESA-N 0 3 346.221 2.404 20 10 EECDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000827158699 1250280733 /nfs/dbraw/zinc/28/07/33/1250280733.db2.gz UAVCYLKAOBSUAK-UHFFFAOYSA-N 0 3 346.519 2.129 20 10 EECDHN COc1ccc(COC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000111235770 1292349436 /nfs/dbraw/zinc/34/94/36/1292349436.db2.gz VGZFTVUSJGIUNZ-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN COc1ccc(COC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000111235770 1292349447 /nfs/dbraw/zinc/34/94/47/1292349447.db2.gz VGZFTVUSJGIUNZ-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN Cc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c(O)c1O ZINC000794591020 1296439921 /nfs/dbraw/zinc/43/99/21/1296439921.db2.gz FKAKEEBBVYNKEB-OAHLLOKOSA-N 0 3 342.395 2.225 20 10 EECDHN Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])n(C2CC[NH+](C)CC2)n1 ZINC000780961830 1303715357 /nfs/dbraw/zinc/71/53/57/1303715357.db2.gz UEOHRSLOKZLSAS-UHFFFAOYSA-N 0 3 344.415 2.430 20 10 EECDHN CN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231589574 1303857007 /nfs/dbraw/zinc/85/70/07/1303857007.db2.gz LMDKVAFCFVYVCV-MRXNPFEDSA-N 0 3 341.455 2.188 20 10 EECDHN CN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231589574 1303857014 /nfs/dbraw/zinc/85/70/14/1303857014.db2.gz LMDKVAFCFVYVCV-MRXNPFEDSA-N 0 3 341.455 2.188 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1[O-] ZINC001233110102 1304362369 /nfs/dbraw/zinc/36/23/69/1304362369.db2.gz TYFNDXOGAKAAAE-GXFFZTMASA-N 0 3 339.233 2.031 20 10 EECDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1[O-] ZINC001233110102 1304362376 /nfs/dbraw/zinc/36/23/76/1304362376.db2.gz TYFNDXOGAKAAAE-GXFFZTMASA-N 0 3 339.233 2.031 20 10 EECDHN [NH3+]C1CN([C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1 ZINC001236080379 1305496700 /nfs/dbraw/zinc/49/67/00/1305496700.db2.gz WGXZBBGHPCREJV-LLVKDONJSA-N 0 3 330.259 2.306 20 10 EECDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209625 1305847684 /nfs/dbraw/zinc/84/76/84/1305847684.db2.gz JQJYGAVAZXKOSQ-IYBDPMFKSA-N 0 3 336.501 2.399 20 10 EECDHN CCN(C)C(=O)CO[C@H]1CCCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238066229 1306207988 /nfs/dbraw/zinc/20/79/88/1306207988.db2.gz KATGOVSFNROAER-INIZCTEOSA-N 0 3 338.423 2.299 20 10 EECDHN Cc1c(CN2CCC(N(C)S(C)(=O)=O)CC2)c2ccccc2n1C ZINC001138258520 1314582910 /nfs/dbraw/zinc/58/29/10/1314582910.db2.gz UKILIRWMYUERJX-UHFFFAOYSA-N 0 3 349.500 2.343 20 10 EECDHN CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001251409171 1317456600 /nfs/dbraw/zinc/45/66/00/1317456600.db2.gz DFVJRLWQXIJKHJ-LJQANCHMSA-N 0 3 348.443 2.122 20 10 EECDHN CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001251409171 1317456604 /nfs/dbraw/zinc/45/66/04/1317456604.db2.gz DFVJRLWQXIJKHJ-LJQANCHMSA-N 0 3 348.443 2.122 20 10 EECDHN O=C([C@@H]1C[N@@H+](Cc2ccccc2[O-])CC12CCOCC2)N1CCCC1 ZINC001203552755 1321911017 /nfs/dbraw/zinc/91/10/17/1321911017.db2.gz SDNCDBMXTKTBCW-KRWDZBQOSA-N 0 3 344.455 2.243 20 10 EECDHN O=C([C@@H]1C[N@H+](Cc2ccccc2[O-])CC12CCOCC2)N1CCCC1 ZINC001203552755 1321911019 /nfs/dbraw/zinc/91/10/19/1321911019.db2.gz SDNCDBMXTKTBCW-KRWDZBQOSA-N 0 3 344.455 2.243 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203623089 1321925123 /nfs/dbraw/zinc/92/51/23/1321925123.db2.gz HXLBKGYZEHNKGH-WMLDXEAASA-N 0 3 332.444 2.480 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)c([O-])c1 ZINC001203623089 1321925125 /nfs/dbraw/zinc/92/51/25/1321925125.db2.gz HXLBKGYZEHNKGH-WMLDXEAASA-N 0 3 332.444 2.480 20 10 EECDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(Br)cc(OC)c1O ZINC001204340080 1322116777 /nfs/dbraw/zinc/11/67/77/1322116777.db2.gz BDJZONMEBSJNLN-STQMWFEESA-N 0 3 341.249 2.442 20 10 EECDHN COc1cc(C)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC001205898327 1323337017 /nfs/dbraw/zinc/33/70/17/1323337017.db2.gz RDXRZZJXHZVHHG-LSDHHAIUSA-N 0 3 340.423 2.490 20 10 EECDHN COc1cc(C)c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([O-])c1 ZINC001205898327 1323337027 /nfs/dbraw/zinc/33/70/27/1323337027.db2.gz RDXRZZJXHZVHHG-LSDHHAIUSA-N 0 3 340.423 2.490 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(Br)c1 ZINC001206444307 1323494921 /nfs/dbraw/zinc/49/49/21/1323494921.db2.gz HBQOWLNVGMPYRB-RKDXNWHRSA-N 0 3 333.201 2.034 20 10 EECDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc3cccnc3c2O)C1(C)C ZINC001578090251 1344233680 /nfs/dbraw/zinc/23/36/80/1344233680.db2.gz GKGDKFGFGNBMGW-KUHUBIRLSA-N 0 3 343.427 2.089 20 10 EECDHN CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1ccccc1[O-] ZINC000192954527 529584682 /nfs/dbraw/zinc/58/46/82/529584682.db2.gz IGYOKQGKVOEKSO-HNNXBMFYSA-N 0 3 326.462 2.247 20 10 EECDHN CN(C)[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000105206767 237087762 /nfs/dbraw/zinc/08/77/62/237087762.db2.gz KFBHMVUWPRQFNB-KRWDZBQOSA-N 0 3 330.476 2.305 20 10 EECDHN O=C(C1CCN(Cc2cc3c(cc2O)OCO3)CC1)N1CCCCC1 ZINC000192533634 237318316 /nfs/dbraw/zinc/31/83/16/237318316.db2.gz JMOJPVZWCKSQNY-UHFFFAOYSA-N 0 3 346.427 2.345 20 10 EECDHN CCOC1CC(C[NH2+][C@H]2CCc3cccc([O-])c32)(N2CCOCC2)C1 ZINC000296438214 465194541 /nfs/dbraw/zinc/19/45/41/465194541.db2.gz MKZMFAZAQNWFIW-GNZRSQJKSA-N 0 3 346.471 2.239 20 10 EECDHN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccccc1[O-] ZINC000156713563 463059980 /nfs/dbraw/zinc/05/99/80/463059980.db2.gz REEBSTRINHZCCE-MRXNPFEDSA-N 0 3 338.473 2.390 20 10 EECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278475555 463966557 /nfs/dbraw/zinc/96/65/57/463966557.db2.gz OELLZUJMXSXINH-ZIAGYGMSSA-N 0 3 330.432 2.454 20 10 EECDHN CCCCOC[C@@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000195126397 463996972 /nfs/dbraw/zinc/99/69/72/463996972.db2.gz KLOPCPZUYUOCMO-IBGZPJMESA-N 0 3 336.476 2.133 20 10 EECDHN CNC(=O)OC[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1O ZINC000290158762 464109611 /nfs/dbraw/zinc/10/96/11/464109611.db2.gz LQJJOMQWUXYLEY-ZDUSSCGKSA-N 0 3 338.404 2.120 20 10 EECDHN COc1cccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c1[O-] ZINC000237378098 464310793 /nfs/dbraw/zinc/31/07/93/464310793.db2.gz NMDPTQNCKBJHLW-MRXNPFEDSA-N 0 3 346.427 2.465 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c([O-])c1 ZINC000284810897 464349962 /nfs/dbraw/zinc/34/99/62/464349962.db2.gz LHMBCSGMDBRMQC-ZXYWRSMDSA-N 0 3 342.443 2.447 20 10 EECDHN C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)C[C@H](C)O1 ZINC000245561746 464495220 /nfs/dbraw/zinc/49/52/20/464495220.db2.gz OINKDMGFPSSJDF-IJEWVQPXSA-N 0 3 348.443 2.195 20 10 EECDHN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)C[C@H](C)O1 ZINC000245561746 464495224 /nfs/dbraw/zinc/49/52/24/464495224.db2.gz OINKDMGFPSSJDF-IJEWVQPXSA-N 0 3 348.443 2.195 20 10 EECDHN O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000285560936 464610061 /nfs/dbraw/zinc/61/00/61/464610061.db2.gz RPTGFGLDEOARNK-QGZVFWFLSA-N 0 3 329.444 2.391 20 10 EECDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([O-])c1O ZINC000182855669 464744178 /nfs/dbraw/zinc/74/41/78/464744178.db2.gz LELIACZMTZZKTA-XJKSGUPXSA-N 0 3 330.428 2.495 20 10 EECDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([O-])c1O ZINC000182855669 464744186 /nfs/dbraw/zinc/74/41/86/464744186.db2.gz LELIACZMTZZKTA-XJKSGUPXSA-N 0 3 330.428 2.495 20 10 EECDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000268144664 464952294 /nfs/dbraw/zinc/95/22/94/464952294.db2.gz UVRVZMXSVGHNBJ-BLLLJJGKSA-N 0 3 334.439 2.174 20 10 EECDHN C[C@@H](CO)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000276506261 464960425 /nfs/dbraw/zinc/96/04/25/464960425.db2.gz YRYIRMURHBRDQD-INIZCTEOSA-N 0 3 347.503 2.336 20 10 EECDHN CN1CCC[C@@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000299233370 465657610 /nfs/dbraw/zinc/65/76/10/465657610.db2.gz FMVSWFQMNOOZMD-SJORKVTESA-N 0 3 347.459 2.177 20 10 EECDHN COCCCN(C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349471630 466120604 /nfs/dbraw/zinc/12/06/04/466120604.db2.gz VPYJWUZZTQQOJP-UHFFFAOYSA-N 0 3 346.475 2.254 20 10 EECDHN O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000364487637 466702095 /nfs/dbraw/zinc/70/20/95/466702095.db2.gz SCMCYBUHKWNKQZ-IBGZPJMESA-N 0 3 338.363 2.217 20 10 EECDHN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000364487637 466702098 /nfs/dbraw/zinc/70/20/98/466702098.db2.gz SCMCYBUHKWNKQZ-IBGZPJMESA-N 0 3 338.363 2.217 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378377134 467284688 /nfs/dbraw/zinc/28/46/88/467284688.db2.gz MCUDVNDTZXCEIF-HOTGVXAUSA-N 0 3 331.416 2.222 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378377134 467284693 /nfs/dbraw/zinc/28/46/93/467284693.db2.gz MCUDVNDTZXCEIF-HOTGVXAUSA-N 0 3 331.416 2.222 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530228043 467965756 /nfs/dbraw/zinc/96/57/56/467965756.db2.gz XSSGBGMJXLJIMJ-PWSUYJOCSA-N 0 3 329.238 2.102 20 10 EECDHN CN(C)CCOc1ccc(N(C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000732411171 577179233 /nfs/dbraw/zinc/17/92/33/577179233.db2.gz QUBFKTCEJMORQA-UHFFFAOYSA-N 0 3 327.428 2.362 20 10 EECDHN Cn1cc(C(C)(C)NCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000771842275 577233904 /nfs/dbraw/zinc/23/39/04/577233904.db2.gz MCYZXQPIJHQKQW-UHFFFAOYSA-N 0 3 327.476 2.197 20 10 EECDHN CCOC(=O)C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775638925 577441541 /nfs/dbraw/zinc/44/15/41/577441541.db2.gz QEJOUEIFZQUYQS-UHFFFAOYSA-N 0 3 345.487 2.214 20 10 EECDHN CN1CCN(c2ccc(CN3CCC[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000775674444 577442459 /nfs/dbraw/zinc/44/24/59/577442459.db2.gz BGUSYVVCNUWOFS-HXUWFJFHSA-N 0 3 339.487 2.472 20 10 EECDHN COCC1(O)CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000775708622 577443349 /nfs/dbraw/zinc/44/33/49/577443349.db2.gz NJSUJTBRFKHIQT-UHFFFAOYSA-N 0 3 344.249 2.436 20 10 EECDHN CO[C@@]1(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000763572580 577722824 /nfs/dbraw/zinc/72/28/24/577722824.db2.gz MNDBQDKTSVXWTO-RDTXWAMCSA-N 0 3 338.423 2.118 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000754081227 577799957 /nfs/dbraw/zinc/79/99/57/577799957.db2.gz PVWJQEIKRPHPOH-QFBILLFUSA-N 0 3 331.412 2.365 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)COC(F)(F)F)N(C)C)cc1 ZINC000891243149 676233940 /nfs/dbraw/zinc/23/39/40/676233940.db2.gz JJZFQAXOKFJSHW-ZDUSSCGKSA-N 0 3 333.354 2.008 20 10 EECDHN CCC(CC)(CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246241 676238411 /nfs/dbraw/zinc/23/84/11/676238411.db2.gz BDELLOJZEHMXBB-KRWDZBQOSA-N 0 3 335.492 2.270 20 10 EECDHN COC(=O)c1c(CN[C@@H](C)Cn2cccn2)c2cc(F)ccc2n1C ZINC000894171803 682105703 /nfs/dbraw/zinc/10/57/03/682105703.db2.gz ABUGVNUXYKDFEC-LBPRGKRZSA-N 0 3 344.390 2.479 20 10 EECDHN Cn1ncc(CNCc2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000892668430 682188449 /nfs/dbraw/zinc/18/84/49/682188449.db2.gz LJXGGCUBHBHMFT-UHFFFAOYSA-N 0 3 326.444 2.424 20 10 EECDHN COC(=O)c1c(CN[C@H]2C[C@@H](O)C2(C)C)c2cc(F)ccc2n1C ZINC000894494581 682929915 /nfs/dbraw/zinc/92/99/15/682929915.db2.gz OUPNFJCSHSZJSB-LSDHHAIUSA-N 0 3 334.391 2.353 20 10 EECDHN COC(=O)c1c(CN[C@@H]2C[C@H](O)C2(C)C)c2cc(F)ccc2n1C ZINC000894494574 682930156 /nfs/dbraw/zinc/93/01/56/682930156.db2.gz OUPNFJCSHSZJSB-CABCVRRESA-N 0 3 334.391 2.353 20 10 EECDHN C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccccc1O ZINC000892790636 683054353 /nfs/dbraw/zinc/05/43/53/683054353.db2.gz GXBVSXKUXKFLSS-BBRMVZONSA-N 0 3 325.412 2.467 20 10 EECDHN CC(C)=CCN1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619692 1190933818 /nfs/dbraw/zinc/93/38/18/1190933818.db2.gz YEPTUNUHQIOISC-IBGZPJMESA-N 0 3 330.428 2.162 20 10 EECDHN CC(C)=CCN1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619692 1190933821 /nfs/dbraw/zinc/93/38/21/1190933821.db2.gz YEPTUNUHQIOISC-IBGZPJMESA-N 0 3 330.428 2.162 20 10 EECDHN CC(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001272982506 1194290985 /nfs/dbraw/zinc/29/09/85/1194290985.db2.gz JHPKLVJGNZBZSE-INIZCTEOSA-N 0 3 332.444 2.472 20 10 EECDHN CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000794814057 1198081694 /nfs/dbraw/zinc/08/16/94/1198081694.db2.gz GPFAKSYVZHXQPT-ZFWWWQNUSA-N 0 3 326.462 2.023 20 10 EECDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CCC(C)C)CC2)c(OC)c1 ZINC000877228167 1199884582 /nfs/dbraw/zinc/88/45/82/1199884582.db2.gz VUEQFCFRZVCEOE-INIZCTEOSA-N 0 3 349.475 2.116 20 10 EECDHN CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C2 ZINC001274380472 1205016008 /nfs/dbraw/zinc/01/60/08/1205016008.db2.gz CXVRIZJOXIPWHP-FQEVSTJZSA-N 0 3 346.471 2.370 20 10 EECDHN CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C2 ZINC001274380472 1205016010 /nfs/dbraw/zinc/01/60/10/1205016010.db2.gz CXVRIZJOXIPWHP-FQEVSTJZSA-N 0 3 346.471 2.370 20 10 EECDHN Cc1cc(CN2CC3(C2)CN(Cc2ccc(C)cc2O)C3)n(C)n1 ZINC001276169941 1205811890 /nfs/dbraw/zinc/81/18/90/1205811890.db2.gz ZYNADRJPAXTDCC-UHFFFAOYSA-N 0 3 326.444 2.060 20 10 EECDHN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCN(C2CC2)C1 ZINC000924885151 1206046110 /nfs/dbraw/zinc/04/61/10/1206046110.db2.gz IYEGXUGODFLYQY-AWEZNQCLSA-N 0 3 349.818 2.047 20 10 EECDHN CCO[C@H]1C[C@](N)(C(=O)NCCCSc2nccs2)C1(C)C ZINC000187778701 1208541089 /nfs/dbraw/zinc/54/10/89/1208541089.db2.gz VUQGSWRNTJDEQZ-NHYWBVRUSA-N 0 3 343.518 2.274 20 10 EECDHN O=C(NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccn[nH]1 ZINC000779996191 1211988516 /nfs/dbraw/zinc/98/85/16/1211988516.db2.gz ZMVKACIAUVTHKD-UHFFFAOYSA-N 0 3 336.395 2.302 20 10 EECDHN CC[C@H](CN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001016366761 1226398429 /nfs/dbraw/zinc/39/84/29/1226398429.db2.gz GCWHFASIWVYKKK-HUUCEWRRSA-N 0 3 347.419 2.078 20 10 EECDHN O=C1COc2ccccc2CN1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903181674 1239952779 /nfs/dbraw/zinc/95/27/79/1239952779.db2.gz UEZVDHFXYUFQNC-INIZCTEOSA-N 0 3 338.407 2.390 20 10 EECDHN CN1CC[C@@]2(CC[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)C1=O ZINC001273855289 1286912396 /nfs/dbraw/zinc/91/23/96/1286912396.db2.gz FOVAMOFFKGRZSG-HNNXBMFYSA-N 0 3 344.333 2.345 20 10 EECDHN CN1CC[C@@]2(CC[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C2)C1=O ZINC001273855289 1286912399 /nfs/dbraw/zinc/91/23/99/1286912399.db2.gz FOVAMOFFKGRZSG-HNNXBMFYSA-N 0 3 344.333 2.345 20 10 EECDHN C[C@H](NCC(=O)NCC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000859229957 1294355846 /nfs/dbraw/zinc/35/58/46/1294355846.db2.gz QXSKMSHGHBOYQZ-HNNXBMFYSA-N 0 3 333.476 2.336 20 10 EECDHN Oc1cc2cc(-c3nc(-c4ccc5c(n4)CCNC5)no3)[nH]c2cc1O ZINC001217473930 1297442361 /nfs/dbraw/zinc/44/23/61/1297442361.db2.gz JKLBAQPLACRBQP-UHFFFAOYSA-N 0 3 349.350 2.337 20 10 EECDHN O=C(N1CCCC12CC2)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277189894 1301735297 /nfs/dbraw/zinc/73/52/97/1301735297.db2.gz ARDXMLQXLZTYOU-UHFFFAOYSA-N 0 3 328.412 2.265 20 10 EECDHN CCN(C(=O)[C@@H]1COCCC12C[NH+](Cc1ccccc1[O-])C2)C(C)C ZINC001277441571 1303029826 /nfs/dbraw/zinc/02/98/26/1303029826.db2.gz OCIUMBQSYXAKAA-KRWDZBQOSA-N 0 3 346.471 2.488 20 10 EECDHN COc1cc(CN2CCC[C@H](Oc3ncncc3C)C2)c(O)cc1O ZINC001231640176 1303876454 /nfs/dbraw/zinc/87/64/54/1303876454.db2.gz PXNBCEQXHLPGCN-AWEZNQCLSA-N 0 3 345.399 2.248 20 10 EECDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c1[O-] ZINC001233290420 1304417326 /nfs/dbraw/zinc/41/73/26/1304417326.db2.gz BGAKCWLEKJTDII-CQSZACIVSA-N 0 3 326.824 2.497 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCN(C(C)=O)C2)c1[O-] ZINC001233290420 1304417331 /nfs/dbraw/zinc/41/73/31/1304417331.db2.gz BGAKCWLEKJTDII-CQSZACIVSA-N 0 3 326.824 2.497 20 10 EECDHN O=C1OC2(CCN(Cc3cc(O)c(O)cc3O)CC2)c2ccccc21 ZINC001233485421 1304478506 /nfs/dbraw/zinc/47/85/06/1304478506.db2.gz VDIPZEJNWBIMAZ-UHFFFAOYSA-N 0 3 341.363 2.465 20 10 EECDHN CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c([O-])c1 ZINC001235679993 1305326521 /nfs/dbraw/zinc/32/65/21/1305326521.db2.gz RRQMXFZRQCUDNG-UHFFFAOYSA-N 0 3 332.444 2.171 20 10 EECDHN C[C@@H]1C[C@@H]([NH3+])CN(Cc2ccc(I)cc2[O-])C1 ZINC001236052021 1305486107 /nfs/dbraw/zinc/48/61/07/1305486107.db2.gz ZKQGDTYJZDNQGO-BXKDBHETSA-N 0 3 346.212 2.166 20 10 EECDHN [NH3+]C1CN([C@H]2CCCN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1 ZINC001236080380 1305496080 /nfs/dbraw/zinc/49/60/80/1305496080.db2.gz WGXZBBGHPCREJV-NSHDSACASA-N 0 3 330.259 2.306 20 10 EECDHN COCCN1CC[C@]2(CCC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001237486163 1305953942 /nfs/dbraw/zinc/95/39/42/1305953942.db2.gz OQVNBFZDBRFWAT-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN COCCN1CC[C@]2(CCC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001237486163 1305953949 /nfs/dbraw/zinc/95/39/49/1305953949.db2.gz OQVNBFZDBRFWAT-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN CN1CC[NH+](C2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)CC1 ZINC001237937743 1306155630 /nfs/dbraw/zinc/15/56/30/1306155630.db2.gz UNZUTMLMXDKSLX-UHFFFAOYSA-N 0 3 341.858 2.397 20 10 EECDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000828667053 1314469438 /nfs/dbraw/zinc/46/94/38/1314469438.db2.gz MEOSALSHDMKQHV-PXAZEXFGSA-N 0 3 326.396 2.465 20 10 EECDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840912997 1315434453 /nfs/dbraw/zinc/43/44/53/1315434453.db2.gz BQXIKUYNTRRCQK-UHFFFAOYSA-N 0 3 346.519 2.047 20 10 EECDHN COc1cccc(CNC(=O)Nc2ccc3c(c2)CNCCO3)c1O ZINC000841328117 1315531853 /nfs/dbraw/zinc/53/18/53/1315531853.db2.gz RDXBSDKPEFBCDO-UHFFFAOYSA-N 0 3 343.383 2.205 20 10 EECDHN COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)NC[C@@H]3C)CC2)cc1 ZINC000841779369 1315611790 /nfs/dbraw/zinc/61/17/90/1315611790.db2.gz QSWKPXUYMZQGHB-CABCVRRESA-N 0 3 346.475 2.056 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c([O-])c1 ZINC001249214169 1317024825 /nfs/dbraw/zinc/02/48/25/1317024825.db2.gz FWQJQAZLSHXORY-KRWDZBQOSA-N 0 3 342.395 2.156 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c([O-])c1 ZINC001249214169 1317024835 /nfs/dbraw/zinc/02/48/35/1317024835.db2.gz FWQJQAZLSHXORY-KRWDZBQOSA-N 0 3 342.395 2.156 20 10 EECDHN Cc1cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c([O-])cc1Br ZINC001250116700 1317215508 /nfs/dbraw/zinc/21/55/08/1317215508.db2.gz HMQMZFMDMYOTTL-JTQLQIEISA-N 0 3 327.222 2.160 20 10 EECDHN Cc1cc(C[N@H+]2CCC[C@H](C(N)=O)C2)c([O-])cc1Br ZINC001250116700 1317215516 /nfs/dbraw/zinc/21/55/16/1317215516.db2.gz HMQMZFMDMYOTTL-JTQLQIEISA-N 0 3 327.222 2.160 20 10 EECDHN CN(Cc1ccc(N2CCCC2)cc1)C[C@@H](O)C(=O)OC(C)(C)C ZINC001253682229 1317913222 /nfs/dbraw/zinc/91/32/22/1317913222.db2.gz SAQHSBBZSAKVFZ-QGZVFWFLSA-N 0 3 334.460 2.421 20 10 EECDHN Oc1ccccc1CN1CCN(c2cccc3c2OCCO3)CC1 ZINC001203555763 1321911605 /nfs/dbraw/zinc/91/16/05/1321911605.db2.gz HTVDUWUQVQAMCR-UHFFFAOYSA-N 0 3 326.396 2.486 20 10 EECDHN COc1ccc(O)c(CN2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c1 ZINC001203683771 1321940577 /nfs/dbraw/zinc/94/05/77/1321940577.db2.gz CDYWQGYFZFWYLF-HNNXBMFYSA-N 0 3 345.399 2.161 20 10 EECDHN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1ccc(O)cc1O ZINC001204274942 1322101335 /nfs/dbraw/zinc/10/13/35/1322101335.db2.gz VSZPALSSKNQIDD-CABCVRRESA-N 0 3 345.424 2.043 20 10 EECDHN CCc1cccc(CNCc2ccccc2S(=O)(=O)N(C)C)c1O ZINC000848893366 1338795650 /nfs/dbraw/zinc/79/56/50/1338795650.db2.gz VEJNWHKGOVDKCY-UHFFFAOYSA-N 0 3 348.468 2.495 20 10 EECDHN COc1cc(C[NH2+]Cc2cc(C)ccc2O)ccc1-c1nnn[n-]1 ZINC001605218899 1351107506 /nfs/dbraw/zinc/10/75/06/1351107506.db2.gz UKQJIGSAYXLQGL-UHFFFAOYSA-N 0 3 325.372 2.179 20 10 EECDHN COc1cccc(C[N@H+](C)CCc2cccc(-c3nnn[n-]3)c2)c1O ZINC001591638079 1403931904 /nfs/dbraw/zinc/93/19/04/1403931904.db2.gz LYVMYWRKMNVCID-UHFFFAOYSA-N 0 3 339.399 2.255 20 10 EECDHN COc1cccc(C[N@@H+](C)CCc2cccc(-c3nnn[n-]3)c2)c1O ZINC001591638079 1403931908 /nfs/dbraw/zinc/93/19/08/1403931908.db2.gz LYVMYWRKMNVCID-UHFFFAOYSA-N 0 3 339.399 2.255 20 10 EECDHN COc1cccc(C[N@H+](C)CCc2cccc(-c3nn[n-]n3)c2)c1O ZINC001591638079 1403931912 /nfs/dbraw/zinc/93/19/12/1403931912.db2.gz LYVMYWRKMNVCID-UHFFFAOYSA-N 0 3 339.399 2.255 20 10 EECDHN COc1cccc(C[N@@H+](C)CCc2cccc(-c3nn[n-]n3)c2)c1O ZINC001591638079 1403931916 /nfs/dbraw/zinc/93/19/16/1403931916.db2.gz LYVMYWRKMNVCID-UHFFFAOYSA-N 0 3 339.399 2.255 20 10 EECDHN CN(C)C(=O)OC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000816655783 784172122 /nfs/dbraw/zinc/17/21/22/784172122.db2.gz RUEMOFXPJDVIGK-UHFFFAOYSA-N 0 3 347.459 2.186 20 10 EECDHN COCC[NH2+]CCN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817965760 785101506 /nfs/dbraw/zinc/10/15/06/785101506.db2.gz ZROZLPXBSORGSI-SECBINFHSA-N 0 3 335.217 2.180 20 10 EECDHN COc1ccc(N2CCN(CCC(=O)N3CCCCC3)CC2)cc1 ZINC000046502306 790099777 /nfs/dbraw/zinc/09/97/77/790099777.db2.gz PSQBJCCAHYPZTC-UHFFFAOYSA-N 0 3 331.460 2.220 20 10 EECDHN [NH3+]CCN(C(=O)c1cc(O)c([O-])c(O)c1)C12CC3CC(CC(C3)C1)C2 ZINC001148590206 792574090 /nfs/dbraw/zinc/57/40/90/792574090.db2.gz ZALGXDYJOYKRDO-UHFFFAOYSA-N 0 3 346.427 2.173 20 10 EECDHN CN(C[C@@H]1CCN1CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994452 801878394 /nfs/dbraw/zinc/87/83/94/801878394.db2.gz LTMOICLWWSHMBQ-HNNXBMFYSA-N 0 3 329.404 2.405 20 10 EECDHN C[C@@H]1CCN(Cc2ccc(I)cc2[O-])C[C@H]1[NH3+] ZINC001206043754 809843292 /nfs/dbraw/zinc/84/32/92/809843292.db2.gz WBRUOZGQNMVDSP-BXKDBHETSA-N 0 3 346.212 2.166 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000806173939 811772372 /nfs/dbraw/zinc/77/23/72/811772372.db2.gz OXNTXVYZWFTDJA-NQBHXWOUSA-N 0 3 327.421 2.494 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1[O-] ZINC000808708373 812815927 /nfs/dbraw/zinc/81/59/27/812815927.db2.gz LKKLQERCLUMJSH-WCQYABFASA-N 0 3 346.880 2.429 20 10 EECDHN Cn1cnnc1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000091795087 237032777 /nfs/dbraw/zinc/03/27/77/237032777.db2.gz XQQKRMXZMMVGCM-UHFFFAOYSA-N 0 3 341.459 2.031 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+][C@H](CO)Cc1c[nH]c3ccccc13)OCO2 ZINC000116350212 237187291 /nfs/dbraw/zinc/18/72/91/237187291.db2.gz ZNRNOBJCTNDETE-AWEZNQCLSA-N 0 3 340.379 2.295 20 10 EECDHN CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000113332635 237162248 /nfs/dbraw/zinc/16/22/48/237162248.db2.gz LBAPQFODUCJIHB-OAHLLOKOSA-N 0 3 339.867 2.078 20 10 EECDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1C ZINC000192723398 533446755 /nfs/dbraw/zinc/44/67/55/533446755.db2.gz PYUKTZNFFMUEDL-OAHLLOKOSA-N 0 3 328.460 2.480 20 10 EECDHN CCOc1ccc([O-])c(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1 ZINC000527768415 317259030 /nfs/dbraw/zinc/25/90/30/317259030.db2.gz AHCIFZXEAUCOQX-IBGZPJMESA-N 0 3 329.396 2.247 20 10 EECDHN CN(C)c1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000159367163 463283511 /nfs/dbraw/zinc/28/35/11/463283511.db2.gz PLXNKEAROALCKK-KRWDZBQOSA-N 0 3 339.505 2.046 20 10 EECDHN CCCNC(=O)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000159647649 463297830 /nfs/dbraw/zinc/29/78/30/463297830.db2.gz JSSFBJNXRQSGED-UHFFFAOYSA-N 0 3 336.432 2.148 20 10 EECDHN COc1cc(O)c(CN2CC[C@@H](Oc3cccnc3)C2)cc1OC ZINC000160420289 463336651 /nfs/dbraw/zinc/33/66/51/463336651.db2.gz YJESOPRJUPSWND-OAHLLOKOSA-N 0 3 330.384 2.458 20 10 EECDHN [O-]c1ccccc1C[N@H+](CCCN1CCOCC1)C[C@H]1CCCO1 ZINC000072629260 463526643 /nfs/dbraw/zinc/52/66/43/463526643.db2.gz PQIPVPZUQQUEDB-GOSISDBHSA-N 0 3 334.460 2.096 20 10 EECDHN [O-]c1ccccc1C[N@@H+](CCCN1CCOCC1)C[C@H]1CCCO1 ZINC000072629260 463526647 /nfs/dbraw/zinc/52/66/47/463526647.db2.gz PQIPVPZUQQUEDB-GOSISDBHSA-N 0 3 334.460 2.096 20 10 EECDHN CCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000110609705 463660341 /nfs/dbraw/zinc/66/03/41/463660341.db2.gz ZDYWLWGFPVMUJU-VQFGERMISA-N 0 3 343.471 2.137 20 10 EECDHN CS[C@H](CO)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268999309 463841191 /nfs/dbraw/zinc/84/11/91/463841191.db2.gz JJFIYSRNKPMYLR-GDZNZVCISA-N 0 3 342.480 2.425 20 10 EECDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000180843149 464406889 /nfs/dbraw/zinc/40/68/89/464406889.db2.gz KZZOBUKUUUBMOS-SBHCFQKNSA-N 0 3 342.439 2.444 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]CC2(O)CCOCC2)c1[O-] ZINC000182192565 464594512 /nfs/dbraw/zinc/59/45/12/464594512.db2.gz MGRHUQOBCAFGOE-UHFFFAOYSA-N 0 3 330.222 2.094 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1F ZINC000272457362 464618622 /nfs/dbraw/zinc/61/86/22/464618622.db2.gz NRKFYPUGKJHPFD-RHSMWYFYSA-N 0 3 334.439 2.127 20 10 EECDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)[C@H]2C1 ZINC000272570982 464664372 /nfs/dbraw/zinc/66/43/72/464664372.db2.gz LDPWSVMSSWMBLX-MJGOQNOKSA-N 0 3 340.471 2.298 20 10 EECDHN CO[C@H]1CCCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000275181696 464766371 /nfs/dbraw/zinc/76/63/71/464766371.db2.gz DKZLBGNCOPPDFV-ROUUACIJSA-N 0 3 333.476 2.258 20 10 EECDHN CCCC[N@H+](CCCNS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000282562566 464866939 /nfs/dbraw/zinc/86/69/39/464866939.db2.gz YPPAHWWIPGFFQM-UHFFFAOYSA-N 0 3 328.478 2.324 20 10 EECDHN CCCC[N@@H+](CCCNS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000282562566 464866944 /nfs/dbraw/zinc/86/69/44/464866944.db2.gz YPPAHWWIPGFFQM-UHFFFAOYSA-N 0 3 328.478 2.324 20 10 EECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CNCc2ccccc21 ZINC000577853262 468192514 /nfs/dbraw/zinc/19/25/14/468192514.db2.gz AXIAIDRVMAGQGF-KRWDZBQOSA-N 0 3 337.423 2.365 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3C3CC3)CC2)cc1 ZINC000728571712 576507202 /nfs/dbraw/zinc/50/72/02/576507202.db2.gz KFZXJTASMQVABM-LJQANCHMSA-N 0 3 343.471 2.218 20 10 EECDHN CCN1C[C@@H](C)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000766255309 577515996 /nfs/dbraw/zinc/51/59/96/577515996.db2.gz VXYOTUMUYNHSDM-IAGOWNOFSA-N 0 3 346.519 2.126 20 10 EECDHN CCOCc1cc(CN[C@@]2(CC(=O)OC)CCOC2)ccc1OC ZINC000766459350 577519759 /nfs/dbraw/zinc/51/97/59/577519759.db2.gz UOCVIJBMACVKLS-GOSISDBHSA-N 0 3 337.416 2.044 20 10 EECDHN COCCC[N@H+](Cc1ccncc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768452146 577556112 /nfs/dbraw/zinc/55/61/12/577556112.db2.gz PLDZFHAHEQBKCY-GOSISDBHSA-N 0 3 344.411 2.252 20 10 EECDHN COCCC[N@@H+](Cc1ccncc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768452146 577556113 /nfs/dbraw/zinc/55/61/13/577556113.db2.gz PLDZFHAHEQBKCY-GOSISDBHSA-N 0 3 344.411 2.252 20 10 EECDHN [O-]c1cc2c(cc1CN1CC[C@H](C[NH+]3CCCCC3)C1)[C@H](O)CO2 ZINC000768466131 577556546 /nfs/dbraw/zinc/55/65/46/577556546.db2.gz MPLOORZIJUGFMG-RDTXWAMCSA-N 0 3 332.444 2.126 20 10 EECDHN COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761214106 577679383 /nfs/dbraw/zinc/67/93/83/577679383.db2.gz DUGBRZHRNVJMLT-HNNXBMFYSA-N 0 3 331.796 2.112 20 10 EECDHN C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc2c(cc1[O-])CCCC2 ZINC000756403856 577843496 /nfs/dbraw/zinc/84/34/96/577843496.db2.gz RIGUWIGWLOGAFD-ZDUSSCGKSA-N 0 3 340.489 2.203 20 10 EECDHN C[C@H]1C[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756771560 577850027 /nfs/dbraw/zinc/85/00/27/577850027.db2.gz ZEBKXCVDKVZCJK-LOWVWBTDSA-N 0 3 342.436 2.093 20 10 EECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1 ZINC000757905117 577866304 /nfs/dbraw/zinc/86/63/04/577866304.db2.gz DHNLQBDAWOTCAO-CQSZACIVSA-N 0 3 348.830 2.488 20 10 EECDHN CCC(C)(C)[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245535 676238529 /nfs/dbraw/zinc/23/85/29/676238529.db2.gz GFNRBCZWYBAJDM-DLBZAZTESA-N 0 3 335.492 2.269 20 10 EECDHN CCc1nnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891247338 676241647 /nfs/dbraw/zinc/24/16/47/676241647.db2.gz IMJMRSMSGLJTNH-AWEZNQCLSA-N 0 3 347.488 2.199 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)/C=C\C2CCOCC2)N(C)C)cc1 ZINC000891254169 676250696 /nfs/dbraw/zinc/25/06/96/676250696.db2.gz WWEARLSEODEAPL-AJWDXOCTSA-N 0 3 345.487 2.454 20 10 EECDHN CC(=O)OC[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892621556 681991785 /nfs/dbraw/zinc/99/17/85/681991785.db2.gz KYXOGUPIFPWRKK-MELADBBJSA-N 0 3 338.423 2.481 20 10 EECDHN C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccccc1O ZINC000892790637 683054497 /nfs/dbraw/zinc/05/44/97/683054497.db2.gz GXBVSXKUXKFLSS-CJNGLKHVSA-N 0 3 325.412 2.467 20 10 EECDHN CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618249 1190933329 /nfs/dbraw/zinc/93/33/29/1190933329.db2.gz DNGCFUYURMOJQA-INIZCTEOSA-N 0 3 332.444 2.147 20 10 EECDHN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001273285661 1197955386 /nfs/dbraw/zinc/95/53/86/1197955386.db2.gz VAUZQAKHZBYSQT-HZPDHXFCSA-N 0 3 336.407 2.133 20 10 EECDHN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001273285661 1197955389 /nfs/dbraw/zinc/95/53/89/1197955389.db2.gz VAUZQAKHZBYSQT-HZPDHXFCSA-N 0 3 336.407 2.133 20 10 EECDHN COc1ccc(N2CCCN(C(=O)[C@H](N)CCC(C)C)CC2)cc1 ZINC000876733273 1199745672 /nfs/dbraw/zinc/74/56/72/1199745672.db2.gz UFOBQOCFUMITRZ-GOSISDBHSA-N 0 3 333.476 2.497 20 10 EECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000877026992 1199847959 /nfs/dbraw/zinc/84/79/59/1199847959.db2.gz KTIKNUGEMSSZIY-AWEZNQCLSA-N 0 3 325.412 2.168 20 10 EECDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC(=O)NCc1ccccc1 ZINC000879648210 1201193499 /nfs/dbraw/zinc/19/34/99/1201193499.db2.gz DZTRPWYVJXBBEF-ZIAGYGMSSA-N 0 3 341.411 2.457 20 10 EECDHN Cn1ncc(Cl)c1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000883283599 1202040169 /nfs/dbraw/zinc/04/01/69/1202040169.db2.gz LLPZUFBACXUXGM-UHFFFAOYSA-N 0 3 333.867 2.115 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@H](N)CC3CC3)cc2F)C[C@H](C)O1 ZINC000884194769 1202259317 /nfs/dbraw/zinc/25/93/17/1202259317.db2.gz RBPCJNGAEKZQHE-IIYDPXPESA-N 0 3 349.450 2.183 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c([O-])c1 ZINC001275275880 1205295835 /nfs/dbraw/zinc/29/58/35/1205295835.db2.gz SBYARHKIKBHUBG-KBXCAEBGSA-N 0 3 327.428 2.435 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c([O-])c1 ZINC001275275880 1205295837 /nfs/dbraw/zinc/29/58/37/1205295837.db2.gz SBYARHKIKBHUBG-KBXCAEBGSA-N 0 3 327.428 2.435 20 10 EECDHN Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000930502525 1206562875 /nfs/dbraw/zinc/56/28/75/1206562875.db2.gz LKSNLZNMUBQQAL-INIZCTEOSA-N 0 3 344.463 2.219 20 10 EECDHN CNC(=O)CCC[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000093717470 1214929191 /nfs/dbraw/zinc/92/91/91/1214929191.db2.gz QXSAOFLKQFJGDO-UHFFFAOYSA-N 0 3 345.237 2.121 20 10 EECDHN CNC(=O)CCC[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000093717470 1214929193 /nfs/dbraw/zinc/92/91/93/1214929193.db2.gz QXSAOFLKQFJGDO-UHFFFAOYSA-N 0 3 345.237 2.121 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CCC[S@@](C)=O)c1[O-] ZINC000116918445 1228940300 /nfs/dbraw/zinc/94/03/00/1228940300.db2.gz ITLZZZSUENFADO-SFHVURJKSA-N 0 3 336.251 2.022 20 10 EECDHN CCOc1cccc(C[N@H+](CCN2CCOCC2)CC2CC2)c1[O-] ZINC000827515550 1248358698 /nfs/dbraw/zinc/35/86/98/1248358698.db2.gz MFKDBNQMBDPGNO-UHFFFAOYSA-N 0 3 334.460 2.335 20 10 EECDHN CCOc1cccc(C[N@@H+](CCN2CCOCC2)CC2CC2)c1[O-] ZINC000827515550 1248358699 /nfs/dbraw/zinc/35/86/99/1248358699.db2.gz MFKDBNQMBDPGNO-UHFFFAOYSA-N 0 3 334.460 2.335 20 10 EECDHN C[C@H](Cn1cncn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000850436678 1277223420 /nfs/dbraw/zinc/22/34/20/1277223420.db2.gz VYBCODPXJNCDPY-CZUORRHYSA-N 0 3 349.866 2.280 20 10 EECDHN CN(C)c1cc(F)c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000862239148 1295766551 /nfs/dbraw/zinc/76/65/51/1295766551.db2.gz XGOUQSJJPHEKAX-SJLPKXTDSA-N 0 3 339.430 2.062 20 10 EECDHN C[C@@H]1NC[C@@H]1Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001218394655 1297652119 /nfs/dbraw/zinc/65/21/19/1297652119.db2.gz YXZCNAKCVISMCD-XPTSAGLGSA-N 0 3 338.319 2.109 20 10 EECDHN Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3nnco3)CC2)c([O-])c1 ZINC001277560418 1303909964 /nfs/dbraw/zinc/90/99/64/1303909964.db2.gz YKOODOVNBNSPSO-AWEZNQCLSA-N 0 3 342.399 2.324 20 10 EECDHN COCC(=O)N[C@@H]1CCCN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286664 1304417853 /nfs/dbraw/zinc/41/78/53/1304417853.db2.gz DNWQYNZGFRPXPZ-MRXNPFEDSA-N 0 3 334.460 2.417 20 10 EECDHN CCN(CCNC(=O)OC(C)(C)C)Cc1cc(O)c(O)cc1O ZINC001233486670 1304478080 /nfs/dbraw/zinc/47/80/80/1304478080.db2.gz XINXYZDBVJVYHP-UHFFFAOYSA-N 0 3 326.393 2.150 20 10 EECDHN COc1cc(O)c(CN2CCC[C@]3(CCCC(=O)N3)C2)cc1OC ZINC001236754581 1305659429 /nfs/dbraw/zinc/65/94/29/1305659429.db2.gz MXIJFDKNWLDBGX-GOSISDBHSA-N 0 3 334.416 2.044 20 10 EECDHN CCCNC(=O)COC1CC[NH+](Cc2ccc(CC)cc2[O-])CC1 ZINC001236789378 1305677822 /nfs/dbraw/zinc/67/78/22/1305677822.db2.gz WDFBTANWNYTTPU-UHFFFAOYSA-N 0 3 334.460 2.462 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001237047556 1305777561 /nfs/dbraw/zinc/77/75/61/1305777561.db2.gz MADPVVWRBAXLOE-OAHLLOKOSA-N 0 3 333.363 2.373 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001237047556 1305777569 /nfs/dbraw/zinc/77/75/69/1305777569.db2.gz MADPVVWRBAXLOE-OAHLLOKOSA-N 0 3 333.363 2.373 20 10 EECDHN CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CN[C@@](CC)(C(=O)OC)C1 ZINC001246917442 1310465853 /nfs/dbraw/zinc/46/58/53/1310465853.db2.gz CULKEOMSFFGYLA-PKOBYXMFSA-N 0 3 333.476 2.258 20 10 EECDHN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139410976 1314740920 /nfs/dbraw/zinc/74/09/20/1314740920.db2.gz OFCWUUHPNVJVSC-LPHOPBHVSA-N 0 3 347.503 2.458 20 10 EECDHN COc1ccnc(N2CCN(Cc3c(C)ccc(C)c3O)CC2)n1 ZINC001140184513 1314829998 /nfs/dbraw/zinc/82/99/98/1314829998.db2.gz XKQDEUJMLANQJY-UHFFFAOYSA-N 0 3 328.416 2.130 20 10 EECDHN CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834766650 1314871527 /nfs/dbraw/zinc/87/15/27/1314871527.db2.gz WEKCTCQIPDWRTH-OAHLLOKOSA-N 0 3 338.473 2.031 20 10 EECDHN C[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000841114169 1315479234 /nfs/dbraw/zinc/47/92/34/1315479234.db2.gz WUXSDWRFXOBPDY-DYVFJYSZSA-N 0 3 340.427 2.015 20 10 EECDHN CN(C)c1ccc(CNC(=O)Nc2cnc3c(c2)CNCC3)cc1 ZINC000841321030 1315529434 /nfs/dbraw/zinc/52/94/34/1315529434.db2.gz YCFIQKOPHILPJR-UHFFFAOYSA-N 0 3 325.416 2.115 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c([O-])c1 ZINC001249178433 1317019071 /nfs/dbraw/zinc/01/90/71/1317019071.db2.gz RHCDXXVUHKRDIB-MRXNPFEDSA-N 0 3 333.428 2.092 20 10 EECDHN COC(=O)[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]1c1ccccc1 ZINC001203884595 1321982212 /nfs/dbraw/zinc/98/22/12/1321982212.db2.gz VKTQTRYXMRYGPB-HZPDHXFCSA-N 0 3 327.380 2.486 20 10 EECDHN COC(=O)[C@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]1c1ccccc1 ZINC001203884590 1321982426 /nfs/dbraw/zinc/98/24/26/1321982426.db2.gz VKTQTRYXMRYGPB-CVEARBPZSA-N 0 3 327.380 2.486 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001204272733 1322099088 /nfs/dbraw/zinc/09/90/88/1322099088.db2.gz HVQFSROAOAPPOM-CALCHBBNSA-N 0 3 325.412 2.057 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001204272733 1322099091 /nfs/dbraw/zinc/09/90/91/1322099091.db2.gz HVQFSROAOAPPOM-CALCHBBNSA-N 0 3 325.412 2.057 20 10 EECDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001263096088 1322432335 /nfs/dbraw/zinc/43/23/35/1322432335.db2.gz GYIXLJQMHZUGSZ-BEFAXECRSA-N 0 3 347.503 2.275 20 10 EECDHN COC1CCN(c2ccc(CN(C)[C@H]3CCCCNC3=O)cc2)CC1 ZINC001327984504 1334373985 /nfs/dbraw/zinc/37/39/85/1334373985.db2.gz HKOOXCDRORVEIC-IBGZPJMESA-N 0 3 345.487 2.402 20 10 EECDHN N[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC001328593496 1334485331 /nfs/dbraw/zinc/48/53/31/1334485331.db2.gz JQLVMPNIAOWTSG-SFHVURJKSA-N 0 3 349.450 2.186 20 10 EECDHN O=C(N[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C1)c1cccnc1 ZINC001137841686 1372283158 /nfs/dbraw/zinc/28/31/58/1372283158.db2.gz PYVTXBMOMAWTHN-CQSZACIVSA-N 0 3 329.375 2.321 20 10 EECDHN O=C(N[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1)c1cccnc1 ZINC001137841686 1372283160 /nfs/dbraw/zinc/28/31/60/1372283160.db2.gz PYVTXBMOMAWTHN-CQSZACIVSA-N 0 3 329.375 2.321 20 10 EECDHN CNC(=O)C[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834899197 1372574532 /nfs/dbraw/zinc/57/45/32/1372574532.db2.gz JJGZCJFQULMGJX-QWHCGFSZSA-N 0 3 339.867 2.352 20 10 EECDHN CN(C)CCN(Cc1ccccn1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406412 759576433 /nfs/dbraw/zinc/57/64/33/759576433.db2.gz PFPXAFXIICPKEL-CLFYSBASSA-N 0 3 341.411 2.096 20 10 EECDHN COC(=O)c1cc(CNCc2ccc3c(c2)CCCN3C)cn1C ZINC000809610679 783223980 /nfs/dbraw/zinc/22/39/80/783223980.db2.gz ABYIGPIEUXDGHW-UHFFFAOYSA-N 0 3 327.428 2.484 20 10 EECDHN CC(C)(C)OC(=O)NCCN1CCN(Cc2ccccc2O)CC1 ZINC001203550235 790445490 /nfs/dbraw/zinc/44/54/90/790445490.db2.gz NSTDZMZIHXJFLZ-UHFFFAOYSA-N 0 3 335.448 2.035 20 10 EECDHN COc1ccc(C[C@@H](CO)C[NH2+]Cc2c([O-])cccc2OC)cc1O ZINC000809748994 783355666 /nfs/dbraw/zinc/35/56/66/783355666.db2.gz HXTJWZJSXFQRQL-CQSZACIVSA-N 0 3 347.411 2.056 20 10 EECDHN Oc1ccc(Br)cc1CNc1cc2c(nn1)CCNC2 ZINC001160019662 787121687 /nfs/dbraw/zinc/12/16/87/787121687.db2.gz QNSYDPVMBJPQSU-UHFFFAOYSA-N 0 3 335.205 2.203 20 10 EECDHN O=C(N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824828271 788330523 /nfs/dbraw/zinc/33/05/23/788330523.db2.gz MVSICBCMVGGBEM-PWSUYJOCSA-N 0 3 346.324 2.374 20 10 EECDHN O=C(N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824828271 788330530 /nfs/dbraw/zinc/33/05/30/788330530.db2.gz MVSICBCMVGGBEM-PWSUYJOCSA-N 0 3 346.324 2.374 20 10 EECDHN CCN1C[C@@H](C[NH2+]Cc2cc(Br)cc(C)c2[O-])CC1=O ZINC000846097529 790061444 /nfs/dbraw/zinc/06/14/44/790061444.db2.gz QZMODQDSEOZBSU-LLVKDONJSA-N 0 3 341.249 2.421 20 10 EECDHN [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148591026 792575602 /nfs/dbraw/zinc/57/56/02/792575602.db2.gz RHKLGPDQUOTDAH-UHFFFAOYSA-N 0 3 346.358 2.033 20 10 EECDHN O=C1C[C@H](NCc2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001172682347 797054455 /nfs/dbraw/zinc/05/44/55/797054455.db2.gz MGLRTAFDQJEKHQ-MRXNPFEDSA-N 0 3 326.396 2.379 20 10 EECDHN CCOc1ccc(O)c(CN2CCC(N3CCCNC3=O)CC2)c1 ZINC000093669504 237046216 /nfs/dbraw/zinc/04/62/16/237046216.db2.gz CVYWXGDYJGJWDO-UHFFFAOYSA-N 0 3 333.432 2.171 20 10 EECDHN CCN(CC)C(=O)CN1CCCN(Cc2cc(C)ccc2O)CC1 ZINC000129253442 462697827 /nfs/dbraw/zinc/69/78/27/462697827.db2.gz NVEKBMJXUIUQAS-UHFFFAOYSA-N 0 3 333.476 2.077 20 10 EECDHN CCN(CC)C(=O)CN1CCC[N@H+](Cc2cc(C)ccc2[O-])CC1 ZINC000129253442 462697832 /nfs/dbraw/zinc/69/78/32/462697832.db2.gz NVEKBMJXUIUQAS-UHFFFAOYSA-N 0 3 333.476 2.077 20 10 EECDHN CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cc(C)ccc2[O-])CC1 ZINC000129253442 462697836 /nfs/dbraw/zinc/69/78/36/462697836.db2.gz NVEKBMJXUIUQAS-UHFFFAOYSA-N 0 3 333.476 2.077 20 10 EECDHN CN(C)c1ccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000077458406 462989172 /nfs/dbraw/zinc/98/91/72/462989172.db2.gz RNWJBRBDXHALDU-KGLIPLIRSA-N 0 3 328.453 2.337 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1OC ZINC000158867900 463256576 /nfs/dbraw/zinc/25/65/76/463256576.db2.gz DXNVXCDMPVVDFR-AWEZNQCLSA-N 0 3 348.443 2.148 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1OC ZINC000158867900 463256580 /nfs/dbraw/zinc/25/65/80/463256580.db2.gz DXNVXCDMPVVDFR-AWEZNQCLSA-N 0 3 348.443 2.148 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)OCO2 ZINC000289946018 464101738 /nfs/dbraw/zinc/10/17/38/464101738.db2.gz UOLBVMZOEOKJIK-DNVCBOLYSA-N 0 3 327.380 2.377 20 10 EECDHN CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(C)cc1[O-] ZINC000280124067 464189549 /nfs/dbraw/zinc/18/95/49/464189549.db2.gz ONELOCMBIKRUHN-DZGCQCFKSA-N 0 3 330.432 2.494 20 10 EECDHN COCCNCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000237328595 464304375 /nfs/dbraw/zinc/30/43/75/464304375.db2.gz WXUXRVMVRDXTBA-UHFFFAOYSA-N 0 3 333.407 2.199 20 10 EECDHN COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000264591557 464386014 /nfs/dbraw/zinc/38/60/14/464386014.db2.gz GVEBKACTCXTFGS-INIZCTEOSA-N 0 3 345.395 2.051 20 10 EECDHN COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000264591557 464386017 /nfs/dbraw/zinc/38/60/17/464386017.db2.gz GVEBKACTCXTFGS-INIZCTEOSA-N 0 3 345.395 2.051 20 10 EECDHN C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc2c(cc1[O-])CCCC2 ZINC000273360961 464711498 /nfs/dbraw/zinc/71/14/98/464711498.db2.gz AGLQDWKCABIICZ-KSSFIOAISA-N 0 3 345.487 2.261 20 10 EECDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(F)ccc1[O-] ZINC000273372604 464713693 /nfs/dbraw/zinc/71/36/93/464713693.db2.gz GKQFTVULUFDKGU-WCQYABFASA-N 0 3 349.358 2.351 20 10 EECDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cc1[O-] ZINC000273362544 464713875 /nfs/dbraw/zinc/71/38/75/464713875.db2.gz DFHXPIQPMKNNJD-AAEUAGOBSA-N 0 3 343.265 2.262 20 10 EECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])[C@]12CCCO2 ZINC000273700803 464723995 /nfs/dbraw/zinc/72/39/95/464723995.db2.gz DBSREFORJPWGBU-KZNAEPCWSA-N 0 3 337.416 2.226 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c([O-])c1C ZINC000359958887 465511501 /nfs/dbraw/zinc/51/15/01/465511501.db2.gz LGKJJYNUQUQYFW-QZTJIDSGSA-N 0 3 347.503 2.066 20 10 EECDHN C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367411685 466319293 /nfs/dbraw/zinc/31/92/93/466319293.db2.gz BKBIXTFFOCISBH-KBXCAEBGSA-N 0 3 331.460 2.183 20 10 EECDHN COc1ccc(N2CCCN(C[C@H](O)COCC(C)C)CC2)cc1 ZINC000365581706 466869903 /nfs/dbraw/zinc/86/99/03/466869903.db2.gz RMGXQYZPWNAYMM-SFHVURJKSA-N 0 3 336.476 2.241 20 10 EECDHN CCOCc1cc(CN[C@H]2CCN(c3cnn(C)c3)C2)ccc1OC ZINC000377718821 467125838 /nfs/dbraw/zinc/12/58/38/467125838.db2.gz HCFWWABEUOLJTA-KRWDZBQOSA-N 0 3 344.459 2.334 20 10 EECDHN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000090171227 533901266 /nfs/dbraw/zinc/90/12/66/533901266.db2.gz AOQXXAJKLGHAPJ-RHSMWYFYSA-N 0 3 341.459 2.251 20 10 EECDHN COc1cc(Cl)cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c1O ZINC000188889778 533953239 /nfs/dbraw/zinc/95/32/39/533953239.db2.gz JCBVDKAFTGRWEZ-LBPRGKRZSA-N 0 3 342.867 2.331 20 10 EECDHN CCc1cccc(NC(=O)CNCc2cc3c(cc2O)OCO3)c1 ZINC000732230708 577158766 /nfs/dbraw/zinc/15/87/66/577158766.db2.gz OEYIAHLOHBRKOU-UHFFFAOYSA-N 0 3 328.368 2.412 20 10 EECDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000774482440 577400697 /nfs/dbraw/zinc/40/06/97/577400697.db2.gz KRFOTIZWBSKZTJ-CHWSQXEVSA-N 0 3 334.464 2.416 20 10 EECDHN C[C@H](NCC(=O)NCC(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000775832370 577446875 /nfs/dbraw/zinc/44/68/75/577446875.db2.gz ZUSNFMPGNGVHCG-ZDUSSCGKSA-N 0 3 345.468 2.464 20 10 EECDHN CC(=O)NCCCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764750530 577487922 /nfs/dbraw/zinc/48/79/22/577487922.db2.gz LCUFTSLVDQKWFP-ZDUSSCGKSA-N 0 3 339.867 2.353 20 10 EECDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCSc1nccs1 ZINC000759584584 577646042 /nfs/dbraw/zinc/64/60/42/577646042.db2.gz BKUFDORUIOVOJV-AAEUAGOBSA-N 0 3 340.518 2.407 20 10 EECDHN Cc1ccc([C@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c([O-])c1 ZINC000756562343 577846819 /nfs/dbraw/zinc/84/68/19/577846819.db2.gz JZKXDCQSTCKICA-HNNXBMFYSA-N 0 3 333.476 2.294 20 10 EECDHN CCn1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891253496 676249988 /nfs/dbraw/zinc/24/99/88/676249988.db2.gz SXOCTPDMMGHBKP-KRWDZBQOSA-N 0 3 329.448 2.002 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\C2CCOCC2)N(C)C)cc1 ZINC000891254172 676250673 /nfs/dbraw/zinc/25/06/73/676250673.db2.gz WWEARLSEODEAPL-HIZXUYSRSA-N 0 3 345.487 2.454 20 10 EECDHN C[C@@H]1COCC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894450166 682899737 /nfs/dbraw/zinc/89/97/37/682899737.db2.gz YRBIXVBBNFFMOT-ZTFGCOKTSA-N 0 3 348.491 2.080 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCOC2)N(C)C)cc1 ZINC000899102603 693607154 /nfs/dbraw/zinc/60/71/54/693607154.db2.gz RFZALLUNMFSHSU-MAUKXSAKSA-N 0 3 348.491 2.033 20 10 EECDHN O=C1N(CC(F)(F)F)CC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618238 1190933493 /nfs/dbraw/zinc/93/34/93/1190933493.db2.gz DGVVDMYZEFEOBK-HNNXBMFYSA-N 0 3 328.334 2.379 20 10 EECDHN O=C1N(CC(F)(F)F)CC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618238 1190933489 /nfs/dbraw/zinc/93/34/89/1190933489.db2.gz DGVVDMYZEFEOBK-HNNXBMFYSA-N 0 3 328.334 2.379 20 10 EECDHN CC[C@@H](C)N1C[C@]2(CCN(Cc3cccc(OC)c3O)C2)OCC1=O ZINC001272623296 1190936318 /nfs/dbraw/zinc/93/63/18/1190936318.db2.gz ZCMXPQJABXUSED-AUUYWEPGSA-N 0 3 348.443 2.003 20 10 EECDHN CCOc1ccc(O)c(CNC[C@H](n2cncn2)C(F)(F)F)c1 ZINC000865683139 1198331234 /nfs/dbraw/zinc/33/12/34/1198331234.db2.gz PJQLOPSOIJNCEH-ZDUSSCGKSA-N 0 3 330.310 2.276 20 10 EECDHN COc1ccc(CN[C@@H]2CC(=O)N(C(C)C)C2)cc1Cn1cccn1 ZINC000873057619 1198485926 /nfs/dbraw/zinc/48/59/26/1198485926.db2.gz WBPFJJPOWJYBCD-QGZVFWFLSA-N 0 3 342.443 2.039 20 10 EECDHN Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c([O-])c1 ZINC000877503974 1199951344 /nfs/dbraw/zinc/95/13/44/1199951344.db2.gz YUYCUDCBFYMWPM-QGZVFWFLSA-N 0 3 340.423 2.470 20 10 EECDHN COCCCN1CC[C@]2(CC[N@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274304199 1204991494 /nfs/dbraw/zinc/99/14/94/1204991494.db2.gz RFHFIWRQFFHQEG-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN COCCCN1CC[C@]2(CC[N@@H+](Cc3c(C)cccc3[O-])C2)C1=O ZINC001274304199 1204991496 /nfs/dbraw/zinc/99/14/96/1204991496.db2.gz RFHFIWRQFFHQEG-IBGZPJMESA-N 0 3 332.444 2.162 20 10 EECDHN COc1ccc(O)c(CN2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c1 ZINC001275278510 1205296801 /nfs/dbraw/zinc/29/68/01/1205296801.db2.gz LESWOWSDYMCRJG-HKUYNNGSSA-N 0 3 332.444 2.228 20 10 EECDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779086868 1208498729 /nfs/dbraw/zinc/49/87/29/1208498729.db2.gz MTFVRJQEZXLOJE-KRWDZBQOSA-N 0 3 341.386 2.460 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]CC2(OCCO)CCOCC2)c2c1c(F)ccc2[O-] ZINC000800501768 1234222414 /nfs/dbraw/zinc/22/24/14/1234222414.db2.gz CYNWSANNTBQRCO-OCCSQVGLSA-N 0 3 339.407 2.227 20 10 EECDHN COc1cncc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406868 1277216814 /nfs/dbraw/zinc/21/68/14/1277216814.db2.gz XEMIAARWSLVTCM-UHFFFAOYSA-N 0 3 327.428 2.341 20 10 EECDHN CCCCNC(=O)[C@@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001273842195 1286683056 /nfs/dbraw/zinc/68/30/56/1286683056.db2.gz AYYPWDZRKYCNQX-AWEZNQCLSA-N 0 3 348.443 2.322 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1[O-] ZINC000858548841 1294151357 /nfs/dbraw/zinc/15/13/57/1294151357.db2.gz PUSKTESHAWOPRG-WCQYABFASA-N 0 3 343.265 2.180 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(Cl)c1 ZINC001276805793 1298051242 /nfs/dbraw/zinc/05/12/42/1298051242.db2.gz MDKNPNBTWHHRQM-QGZVFWFLSA-N 0 3 340.851 2.351 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(Cl)c1 ZINC001276805793 1298051258 /nfs/dbraw/zinc/05/12/58/1298051258.db2.gz MDKNPNBTWHHRQM-QGZVFWFLSA-N 0 3 340.851 2.351 20 10 EECDHN O=C(NCCc1ccccn1)[C@@]12C[C@@H]1CCN2Cc1ccccc1O ZINC001277441561 1303030004 /nfs/dbraw/zinc/03/00/04/1303030004.db2.gz NZRXFIAOTWXFFJ-OXJNMPFZSA-N 0 3 337.423 2.111 20 10 EECDHN COc1cc(CN2CCC(N(C(C)=O)C(C)C)CC2)c(O)cc1O ZINC001231638867 1303874543 /nfs/dbraw/zinc/87/45/43/1303874543.db2.gz HMECIFDNHNMNPR-UHFFFAOYSA-N 0 3 336.432 2.328 20 10 EECDHN COc1cc(CN2CC[C@@H](Oc3ncccc3OC)C2)c(O)cc1O ZINC001231641049 1303877507 /nfs/dbraw/zinc/87/75/07/1303877507.db2.gz YEZZQDJFLQHYEZ-CYBMUJFWSA-N 0 3 346.383 2.163 20 10 EECDHN O=C1NCC[C@@]12CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233736586 1304573305 /nfs/dbraw/zinc/57/33/05/1304573305.db2.gz NQTIOVQTRWINLQ-OAHLLOKOSA-N 0 3 344.333 2.393 20 10 EECDHN O=C1NCC[C@@]12CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C2 ZINC001233736586 1304573310 /nfs/dbraw/zinc/57/33/10/1304573310.db2.gz NQTIOVQTRWINLQ-OAHLLOKOSA-N 0 3 344.333 2.393 20 10 EECDHN CCN1CCN(c2ccc(O[C@@H]3[C@H]4C[C@H]5C(=O)O[C@H]3[C@H]5C4)cc2)CC1 ZINC001234657717 1305002247 /nfs/dbraw/zinc/00/22/47/1305002247.db2.gz GWYHASBFJPYPGB-RJEZFDHBSA-N 0 3 342.439 2.157 20 10 EECDHN CC[C@@H]1C[NH2+]CCN1Cc1ccc(I)cc1[O-] ZINC001235771591 1305376097 /nfs/dbraw/zinc/37/60/97/1305376097.db2.gz HCXYGCRZUGLYKN-GFCCVEGCSA-N 0 3 346.212 2.181 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC001236093085 1305500087 /nfs/dbraw/zinc/50/00/87/1305500087.db2.gz NWIRSTKCXQXSRQ-PHIMTYICSA-N 0 3 341.249 2.490 20 10 EECDHN CC(C)c1ccc(C[NH+]2CCC(N3CCOCC3=O)CC2)c([O-])c1 ZINC001237056270 1305780700 /nfs/dbraw/zinc/78/07/00/1305780700.db2.gz WDXXXKRYCGAQNO-UHFFFAOYSA-N 0 3 332.444 2.339 20 10 EECDHN O=C1NCCN1[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001116440394 1305883674 /nfs/dbraw/zinc/88/36/74/1305883674.db2.gz FXSVGSZEURAUPQ-SFHVURJKSA-N 0 3 328.460 2.276 20 10 EECDHN CN1CCN(C2CN(Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC001138222194 1314577871 /nfs/dbraw/zinc/57/78/71/1314577871.db2.gz LBDCHEJMFZEWGN-UHFFFAOYSA-N 0 3 328.504 2.109 20 10 EECDHN CC(=O)c1csc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000832272992 1314668494 /nfs/dbraw/zinc/66/84/94/1314668494.db2.gz KZLNLVMRWUJYDV-OAHLLOKOSA-N 0 3 331.441 2.447 20 10 EECDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001249201304 1317020926 /nfs/dbraw/zinc/02/09/26/1317020926.db2.gz NKRBUSZQKOULFI-HNNXBMFYSA-N 0 3 326.396 2.492 20 10 EECDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001249201304 1317020934 /nfs/dbraw/zinc/02/09/34/1317020934.db2.gz NKRBUSZQKOULFI-HNNXBMFYSA-N 0 3 326.396 2.492 20 10 EECDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])[C@@H]1C ZINC001249207929 1317023319 /nfs/dbraw/zinc/02/33/19/1317023319.db2.gz MOQSJVTWDMMLDO-CJNGLKHVSA-N 0 3 349.427 2.271 20 10 EECDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])[C@@H]1C ZINC001249207929 1317023326 /nfs/dbraw/zinc/02/33/26/1317023326.db2.gz MOQSJVTWDMMLDO-CJNGLKHVSA-N 0 3 349.427 2.271 20 10 EECDHN O=C([C@H]1CC[C@@H](C(F)(F)F)CN1)N1CCc2cccc(O)c2C1 ZINC001160872098 1320299215 /nfs/dbraw/zinc/29/92/15/1320299215.db2.gz HLJYZYOSTRGZJJ-DGCLKSJQSA-N 0 3 328.334 2.207 20 10 EECDHN [O-]c1cc(O)ccc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001204273322 1322100278 /nfs/dbraw/zinc/10/02/78/1322100278.db2.gz OEQLFOFFFJMIID-HOTGVXAUSA-N 0 3 325.412 2.057 20 10 EECDHN CN1CCN(Cc2cccc(N(CCO)c3ccc(N)cc3)c2)CC1 ZINC001204538274 1322170605 /nfs/dbraw/zinc/17/06/05/1322170605.db2.gz YXRNMOFZLVXAGK-UHFFFAOYSA-N 0 3 340.471 2.147 20 10 EECDHN CC[N@H+](Cc1ccccc1[O-])CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001209342191 1324907346 /nfs/dbraw/zinc/90/73/46/1324907346.db2.gz SGHYPAPHSCFXCH-ZDUSSCGKSA-N 0 3 328.412 2.333 20 10 EECDHN CC[N@@H+](Cc1ccccc1[O-])CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001209342191 1324907349 /nfs/dbraw/zinc/90/73/49/1324907349.db2.gz SGHYPAPHSCFXCH-ZDUSSCGKSA-N 0 3 328.412 2.333 20 10 EECDHN O[C@@H]1CCC[C@@H]1N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319715014 1332749290 /nfs/dbraw/zinc/74/92/90/1332749290.db2.gz ASNWNSBXXFWTOM-VQTJNVASSA-N 0 3 329.488 2.318 20 10 EECDHN O[C@H]1CCC[C@@H]1N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319715012 1332749511 /nfs/dbraw/zinc/74/95/11/1332749511.db2.gz ASNWNSBXXFWTOM-PMACEKPBSA-N 0 3 329.488 2.318 20 10 EECDHN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(N2CCCC2)cc1 ZINC001321448032 1333106745 /nfs/dbraw/zinc/10/67/45/1333106745.db2.gz JYZHFGMBVZFCPB-IBGZPJMESA-N 0 3 334.460 2.469 20 10 EECDHN C[NH+]1CCC(N(CCO)Cc2c([O-])cccc2Br)CC1 ZINC000862211532 1369523364 /nfs/dbraw/zinc/52/33/64/1369523364.db2.gz JGKBHJHWRUUJCM-UHFFFAOYSA-N 0 3 343.265 2.043 20 10 EECDHN CN(C)c1cc(F)c(CN2CCN(C[C@@H]3CCOC3)CC2)cc1F ZINC000862249794 1369526663 /nfs/dbraw/zinc/52/66/63/1369526663.db2.gz CRJYCBHCSNEQBI-AWEZNQCLSA-N 0 3 339.430 2.185 20 10 EECDHN CCN(CC)c1ccc(CN2CCN(CC(C)(C)O)CC2)c(OC)c1 ZINC001138392129 1372390884 /nfs/dbraw/zinc/39/08/84/1372390884.db2.gz RGLVEPDZXPDBRK-UHFFFAOYSA-N 0 3 349.519 2.430 20 10 EECDHN CCN(CCO)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000183926346 782197307 /nfs/dbraw/zinc/19/73/07/782197307.db2.gz FKRMQPWJIJWQKF-UHFFFAOYSA-N 0 3 343.471 2.447 20 10 EECDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000819583656 785594622 /nfs/dbraw/zinc/59/46/22/785594622.db2.gz YYPGSHUJYLVXSI-YJBOKZPZSA-N 0 3 333.476 2.224 20 10 EECDHN COc1ccc(N2CCN([C@H]3CCN(C4CC4)C(=O)C3)CC2)c(C)c1 ZINC001172019709 796846761 /nfs/dbraw/zinc/84/67/61/796846761.db2.gz QQRQMLCWURETHC-KRWDZBQOSA-N 0 3 343.471 2.279 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](O)C(F)(F)F)c1[O-] ZINC000792191933 809645872 /nfs/dbraw/zinc/64/58/72/809645872.db2.gz FUWPZSXNPREYQG-SECBINFHSA-N 0 3 328.128 2.476 20 10 EECDHN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N(C)C)cc1 ZINC000090116311 237026545 /nfs/dbraw/zinc/02/65/45/237026545.db2.gz ZACKWVMVUWPYKT-WMLDXEAASA-N 0 3 341.459 2.332 20 10 EECDHN COc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000093134321 533478712 /nfs/dbraw/zinc/47/87/12/533478712.db2.gz MMTRVTJHJQHYMT-AWEZNQCLSA-N 0 3 328.416 2.318 20 10 EECDHN COc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000093134321 533478716 /nfs/dbraw/zinc/47/87/16/533478716.db2.gz MMTRVTJHJQHYMT-AWEZNQCLSA-N 0 3 328.416 2.318 20 10 EECDHN CCOc1cccc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1[O-] ZINC000527768900 317260214 /nfs/dbraw/zinc/26/02/14/317260214.db2.gz GYFCNPKUCTVMMO-LJQANCHMSA-N 0 3 329.396 2.247 20 10 EECDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000120098420 462961213 /nfs/dbraw/zinc/96/12/13/462961213.db2.gz WOZGZODJDSTLSZ-UHFFFAOYSA-N 0 3 332.444 2.208 20 10 EECDHN Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c([O-])c1O ZINC000177684997 463765329 /nfs/dbraw/zinc/76/53/29/463765329.db2.gz SGBKYSARJKFOKG-UHFFFAOYSA-N 0 3 348.443 2.171 20 10 EECDHN Cc1ccc([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000185256717 463788358 /nfs/dbraw/zinc/78/83/58/463788358.db2.gz YUCGYBVSOOJXBT-CYBMUJFWSA-N 0 3 326.462 2.023 20 10 EECDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000281265830 464392872 /nfs/dbraw/zinc/39/28/72/464392872.db2.gz NNCKOVFFODICKT-SFHVURJKSA-N 0 3 337.416 2.193 20 10 EECDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000281265830 464392880 /nfs/dbraw/zinc/39/28/80/464392880.db2.gz NNCKOVFFODICKT-SFHVURJKSA-N 0 3 337.416 2.193 20 10 EECDHN NC(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000267950310 464944806 /nfs/dbraw/zinc/94/48/06/464944806.db2.gz TWJHFYIDQFUGTL-UHFFFAOYSA-N 0 3 340.423 2.431 20 10 EECDHN COc1cc(Cl)cc(C[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000184707633 465020525 /nfs/dbraw/zinc/02/05/25/465020525.db2.gz ORQQRENQOABWFC-UHFFFAOYSA-N 0 3 328.840 2.255 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c([O-])c1C ZINC000359958889 465511826 /nfs/dbraw/zinc/51/18/26/465511826.db2.gz LGKJJYNUQUQYFW-ROUUACIJSA-N 0 3 347.503 2.066 20 10 EECDHN C[C@@H](NCc1cc(=O)c(O)co1)c1ccc(N2CCOCC2)cc1 ZINC000775258546 577433815 /nfs/dbraw/zinc/43/38/15/577433815.db2.gz DMFMFLGDBWBRAJ-CYBMUJFWSA-N 0 3 330.384 2.033 20 10 EECDHN O[C@H]([C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000769381795 577576563 /nfs/dbraw/zinc/57/65/63/577576563.db2.gz REIRCTRNRLXKDF-JKSUJKDBSA-N 0 3 344.377 2.411 20 10 EECDHN CCOC(=O)C(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249749 676244678 /nfs/dbraw/zinc/24/46/78/676244678.db2.gz WJIFSDCQVZBWAR-INIZCTEOSA-N 0 3 349.475 2.061 20 10 EECDHN CN(C)c1ccc([C@@H](C[N-]C(=O)C(F)(F)C(F)F)[NH+](C)C)cc1 ZINC000891251547 676247838 /nfs/dbraw/zinc/24/78/38/676247838.db2.gz GNNJEZNWSGOWFJ-GFCCVEGCSA-N 0 3 335.345 2.372 20 10 EECDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000891252884 676248928 /nfs/dbraw/zinc/24/89/28/676248928.db2.gz OHRDYUSJEGEPOO-KSSFIOAISA-N 0 3 343.475 2.009 20 10 EECDHN Cc1ccnc(N)c1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000894202455 681221777 /nfs/dbraw/zinc/22/17/77/681221777.db2.gz HTBVWNWGVWBCHX-UHFFFAOYSA-N 0 3 340.471 2.471 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](CF)C2)N(C)C)cc1 ZINC000899097767 693602053 /nfs/dbraw/zinc/60/20/53/693602053.db2.gz GMPGRAFIECSMAW-WMLDXEAASA-N 0 3 336.455 2.356 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]3C[C@@H]3C2)N(C)C)cc1 ZINC000899098067 693610885 /nfs/dbraw/zinc/61/08/85/693610885.db2.gz LIGFXNFDCCSZRJ-NUJGCVRESA-N 0 3 330.476 2.407 20 10 EECDHN CCCCN1C[C@]2(CCN(Cc3cc(OC)ccc3O)C2)OCC1=O ZINC001272638710 1190946088 /nfs/dbraw/zinc/94/60/88/1190946088.db2.gz SYKPEZMDQIBDAW-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN Fc1cc(CN2CCC3(CC2)OCCO3)ccc1N1CCOCC1 ZINC000126096807 1199718767 /nfs/dbraw/zinc/71/87/67/1199718767.db2.gz QFNSXIJISNRXIK-UHFFFAOYSA-N 0 3 336.407 2.001 20 10 EECDHN OC[C@@H](CC(F)(F)F)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877123591 1199865856 /nfs/dbraw/zinc/86/58/56/1199865856.db2.gz MCLCNJVBUZJSAM-CYBMUJFWSA-N 0 3 332.366 2.051 20 10 EECDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000133777216 1202238347 /nfs/dbraw/zinc/23/83/47/1202238347.db2.gz NAYJZMYBXCQOLK-SFHVURJKSA-N 0 3 348.491 2.005 20 10 EECDHN Cc1cc(F)cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C2COC2)C3)c1[O-] ZINC001274099224 1204370429 /nfs/dbraw/zinc/37/04/29/1204370429.db2.gz AEJZQUPUUCRLCK-IBGZPJMESA-N 0 3 348.418 2.196 20 10 EECDHN Cc1cc(F)cc(C[N@H+]2CCCC[C@@]23CC(=O)N(C2COC2)C3)c1[O-] ZINC001274099224 1204370431 /nfs/dbraw/zinc/37/04/31/1204370431.db2.gz AEJZQUPUUCRLCK-IBGZPJMESA-N 0 3 348.418 2.196 20 10 EECDHN CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3ccccc3[O-])(C1)CCC2 ZINC001275266504 1205293896 /nfs/dbraw/zinc/29/38/96/1205293896.db2.gz ABLNQBDVFRENFQ-MOPGFXCFSA-N 0 3 331.460 2.005 20 10 EECDHN Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2[O-])C3)n(C)n1 ZINC001275267733 1205294575 /nfs/dbraw/zinc/29/45/75/1205294575.db2.gz WSWWIHPLOWZIKO-QAPCUYQASA-N 0 3 326.444 2.140 20 10 EECDHN Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2[O-])C3)n(C)n1 ZINC001275267733 1205294576 /nfs/dbraw/zinc/29/45/76/1205294576.db2.gz WSWWIHPLOWZIKO-QAPCUYQASA-N 0 3 326.444 2.140 20 10 EECDHN COc1cc(C[C@H](CO)C[NH2+]Cc2cc(F)ccc2[O-])cc(OC)c1 ZINC000779087718 1208500645 /nfs/dbraw/zinc/50/06/45/1208500645.db2.gz PAZVSKFWBBZNRQ-AWEZNQCLSA-N 0 3 349.402 2.489 20 10 EECDHN COc1cccc([O-])c1C[NH2+]CCn1cc(Br)cn1 ZINC000796514316 1220459004 /nfs/dbraw/zinc/45/90/04/1220459004.db2.gz XYSWWRNKJXNNMB-UHFFFAOYSA-N 0 3 326.194 2.150 20 10 EECDHN COC[C@@H](C)N1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863358 1235260468 /nfs/dbraw/zinc/26/04/68/1235260468.db2.gz XUGZMPWTNQDWHB-PXAZEXFGSA-N 0 3 347.419 2.078 20 10 EECDHN Cc1cc(O[C@H]2C[NH2+]C[C@H]2C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001217969137 1297538188 /nfs/dbraw/zinc/53/81/88/1297538188.db2.gz XGWZFXVKRMWKNK-BZNIZROVSA-N 0 3 337.375 2.463 20 10 EECDHN COc1cc(C)nc(N2CCN(Cc3c(C)cc(C)cc3O)CC2)n1 ZINC001231851062 1303930766 /nfs/dbraw/zinc/93/07/66/1303930766.db2.gz YVPJRJKZIFBDPG-UHFFFAOYSA-N 0 3 342.443 2.438 20 10 EECDHN COCCN(Cc1cc(Br)c(C)cc1[O-])[C@H]1CC[NH2+]C1 ZINC001236336164 1305563214 /nfs/dbraw/zinc/56/32/14/1305563214.db2.gz SUUMKMPNUDQNMU-ZDUSSCGKSA-N 0 3 343.265 2.273 20 10 EECDHN COc1cc(O)c(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1OC ZINC001236749027 1305658108 /nfs/dbraw/zinc/65/81/08/1305658108.db2.gz DVJSFJZJLLUSNN-MNOVXSKESA-N 0 3 335.322 2.012 20 10 EECDHN Cc1cc(C(=O)N[C@H]2COC3(CNC3)C2)c(C)n1-c1ccc(F)cc1 ZINC001122142424 1310229059 /nfs/dbraw/zinc/22/90/59/1310229059.db2.gz PZZQWHMZLOEEHR-OAHLLOKOSA-N 0 3 343.402 2.094 20 10 EECDHN COc1ccc(O)c(CN[C@H](C)C(=O)NCCc2ccccc2)c1 ZINC000835072970 1314897104 /nfs/dbraw/zinc/89/71/04/1314897104.db2.gz KPPTURNFJJSXHX-CQSZACIVSA-N 0 3 328.412 2.238 20 10 EECDHN Cc1c(O)ccc(CN2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1O ZINC001140748944 1314955149 /nfs/dbraw/zinc/95/51/49/1314955149.db2.gz VPEGOLGLZYMWCX-DZGCQCFKSA-N 0 3 342.395 2.346 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC(c3noc(C)n3)CC2)c([O-])c1 ZINC001249201368 1317021837 /nfs/dbraw/zinc/02/18/37/1317021837.db2.gz PZSIMXBTNHTNRV-UHFFFAOYSA-N 0 3 345.399 2.179 20 10 EECDHN CC1(C)C=Cc2c(O)c(CN3CCN4CCOC[C@@H]4C3)ccc2O1 ZINC001249223576 1317027836 /nfs/dbraw/zinc/02/78/36/1317027836.db2.gz HWCIGNBYTZFOIA-HNNXBMFYSA-N 0 3 330.428 2.093 20 10 EECDHN COc1ccnc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)c1F ZINC001249338415 1317057473 /nfs/dbraw/zinc/05/74/73/1317057473.db2.gz DPMKTWATMBIRMH-SNVBAGLBSA-N 0 3 330.319 2.227 20 10 EECDHN CCOc1cccc(CN2CC[C@@H](Oc3ncc(OC)cn3)C2)c1O ZINC001203617868 1321924378 /nfs/dbraw/zinc/92/43/78/1321924378.db2.gz WGECUGROMOKNLC-CQSZACIVSA-N 0 3 345.399 2.243 20 10 EECDHN O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273007 1322098875 /nfs/dbraw/zinc/09/88/75/1322098875.db2.gz IYTLONRPSXLTEP-PXNSSMCTSA-N 0 3 338.407 2.204 20 10 EECDHN O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204273007 1322098885 /nfs/dbraw/zinc/09/88/85/1322098885.db2.gz IYTLONRPSXLTEP-PXNSSMCTSA-N 0 3 338.407 2.204 20 10 EECDHN O=C1c2cccc(F)c2CN1[C@@H]1CCN(Cc2ccc(O)cc2O)C1 ZINC001204277781 1322103338 /nfs/dbraw/zinc/10/33/38/1322103338.db2.gz LVIFOGXUBWXGIV-CYBMUJFWSA-N 0 3 342.370 2.467 20 10 EECDHN CC[C@@H]1N(Cc2cc(O)c(O)c(OC)c2)CCC[C@]12CCC(=O)N2C ZINC001204348205 1322122482 /nfs/dbraw/zinc/12/24/82/1322122482.db2.gz LDQFVYFCFCISFX-LPHOPBHVSA-N 0 3 348.443 2.472 20 10 EECDHN COCCn1c(C)c(C)c2cc(C(=O)NOCCN(C)C)ccc21 ZINC001331183152 1334976993 /nfs/dbraw/zinc/97/69/93/1334976993.db2.gz AGAUORZOUVGGJH-UHFFFAOYSA-N 0 3 333.432 2.128 20 10 EECDHN COc1ccc(CN(C)Cc2ccc(C(N)=O)cc2)c(O)c1OC ZINC001333764558 1336127254 /nfs/dbraw/zinc/12/72/54/1336127254.db2.gz LXMXIYCPSNBODA-UHFFFAOYSA-N 0 3 330.384 2.140 20 10 EECDHN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+](CCO)C[C@H]2c1ccc(O)cc1 ZINC000027848611 1352373277 /nfs/dbraw/zinc/37/32/77/1352373277.db2.gz HJRPNGSEOMMOOX-HNNXBMFYSA-N 0 3 349.814 2.439 20 10 EECDHN [O-]c1c(O)cc2c(c1Cl)CC[N@H+](CCO)C[C@H]2c1ccc(O)cc1 ZINC000027848611 1352373282 /nfs/dbraw/zinc/37/32/82/1352373282.db2.gz HJRPNGSEOMMOOX-HNNXBMFYSA-N 0 3 349.814 2.439 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccccc3)C1)[C@H](O)CO2 ZINC000853593333 1369356165 /nfs/dbraw/zinc/35/61/65/1369356165.db2.gz HBELKVIMPCVNGR-CRAIPNDOSA-N 0 3 327.380 2.471 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccccc3)C1)[C@H](O)CO2 ZINC000853593333 1369356168 /nfs/dbraw/zinc/35/61/68/1369356168.db2.gz HBELKVIMPCVNGR-CRAIPNDOSA-N 0 3 327.380 2.471 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@H](Oc3cnccn3)C2)c(OC)c1 ZINC001141032627 1372746035 /nfs/dbraw/zinc/74/60/35/1372746035.db2.gz JPYNTIVFKQMVGB-CYBMUJFWSA-N 0 3 345.399 2.243 20 10 EECDHN CN1CCN(c2ccc(CNc3ccn4cc(N)nc4c3)cc2)CC1 ZINC001167431077 759340945 /nfs/dbraw/zinc/34/09/45/759340945.db2.gz GAJOMSUZUADMGI-UHFFFAOYSA-N 0 3 336.443 2.280 20 10 EECDHN COc1ccc(N(C)CCN(C)C(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000846697290 790427335 /nfs/dbraw/zinc/42/73/35/790427335.db2.gz MXGGJUHXOBSOMH-LJQANCHMSA-N 0 3 341.455 2.160 20 10 EECDHN CCOC[C@H]1CN(Cc2c(O)cc(O)cc2O)Cc2cn(CC)nc21 ZINC001144508775 789908427 /nfs/dbraw/zinc/90/84/27/789908427.db2.gz XWWHYRCCDQJFNU-CYBMUJFWSA-N 0 3 347.415 2.156 20 10 EECDHN COc1cc(Br)cc(C[NH2+]CC23CC(C2)CO3)c1[O-] ZINC000527789017 317263121 /nfs/dbraw/zinc/26/31/21/317263121.db2.gz MHDMDNMYAQLPTG-UHFFFAOYSA-N 0 3 328.206 2.432 20 10 EECDHN CC[C@H](CNS(C)(=O)=O)N[C@H](CC)c1ccc(N(C)C)cc1 ZINC000296481614 465207715 /nfs/dbraw/zinc/20/77/15/465207715.db2.gz OFXGFZWSZNZWKO-GDBMZVCRSA-N 0 3 327.494 2.121 20 10 EECDHN COC1CCN(c2ccc(CN3CCC[C@H](OCCO)C3)cc2)CC1 ZINC000297420773 465255919 /nfs/dbraw/zinc/25/59/19/465255919.db2.gz HCVKFKJHDSDBGI-FQEVSTJZSA-N 0 3 348.487 2.275 20 10 EECDHN CCCOc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)c([O-])c1 ZINC000127614735 462569116 /nfs/dbraw/zinc/56/91/16/462569116.db2.gz YWYNKVCLUSQOBD-UHFFFAOYSA-N 0 3 333.432 2.171 20 10 EECDHN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)cc1F ZINC000155069527 462843163 /nfs/dbraw/zinc/84/31/63/462843163.db2.gz WWMYCGLNHULPEK-SFHVURJKSA-N 0 3 349.450 2.151 20 10 EECDHN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000126718630 463658404 /nfs/dbraw/zinc/65/84/04/463658404.db2.gz BSZXTFLIVATHFP-HOCLYGCPSA-N 0 3 349.450 2.324 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1F ZINC000073915794 463669796 /nfs/dbraw/zinc/66/97/96/463669796.db2.gz ADRBBDJFUUUNHD-LSDHHAIUSA-N 0 3 334.439 2.270 20 10 EECDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(F)ccc1[O-] ZINC000186082596 463934102 /nfs/dbraw/zinc/93/41/02/463934102.db2.gz AGCGGXKTSYFQHB-SMDDNHRTSA-N 0 3 332.379 2.111 20 10 EECDHN CCOC1CC(C[NH2+]Cc2cccc(C)c2[O-])(N2CCOCC2)C1 ZINC000195094159 463990605 /nfs/dbraw/zinc/99/06/05/463990605.db2.gz FUYSOMCNFKRQSD-UHFFFAOYSA-N 0 3 334.460 2.060 20 10 EECDHN CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(C)cc1[O-] ZINC000280038547 464183693 /nfs/dbraw/zinc/18/36/93/464183693.db2.gz IRPVTQGTCAYEHU-KRWDZBQOSA-N 0 3 333.476 2.294 20 10 EECDHN CC[C@@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280073966 464185656 /nfs/dbraw/zinc/18/56/56/464185656.db2.gz LENUNVWNFCVYCN-OAHLLOKOSA-N 0 3 328.478 2.413 20 10 EECDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180218799 464267279 /nfs/dbraw/zinc/26/72/79/464267279.db2.gz SCGSISQNISCRJQ-LLVKDONJSA-N 0 3 341.249 2.421 20 10 EECDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180218799 464267284 /nfs/dbraw/zinc/26/72/84/464267284.db2.gz SCGSISQNISCRJQ-LLVKDONJSA-N 0 3 341.249 2.421 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]C1CCN(c3nccs3)CC1)OCO2 ZINC000280984456 464288606 /nfs/dbraw/zinc/28/86/06/464288606.db2.gz AFHRCGCSVHGUCN-UHFFFAOYSA-N 0 3 333.413 2.336 20 10 EECDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271833262 464393854 /nfs/dbraw/zinc/39/38/54/464393854.db2.gz JPDNGNWYZVXZAC-ZDUSSCGKSA-N 0 3 333.457 2.251 20 10 EECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)c([O-])c1 ZINC000294400789 464489273 /nfs/dbraw/zinc/48/92/73/464489273.db2.gz SMBYMDOMZZZZBS-UONOGXRCSA-N 0 3 342.443 2.218 20 10 EECDHN CCOc1ccc(O)c(CNC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285613667 464629399 /nfs/dbraw/zinc/62/93/99/464629399.db2.gz XNHNUUHRIOINFD-OAHLLOKOSA-N 0 3 348.365 2.144 20 10 EECDHN COc1cc([O-])c(C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1OC ZINC000182653471 464703056 /nfs/dbraw/zinc/70/30/56/464703056.db2.gz LUTTWXIZTLZZIJ-IBGZPJMESA-N 0 3 329.396 2.333 20 10 EECDHN CN(C)CCOc1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000299485339 465767910 /nfs/dbraw/zinc/76/79/10/465767910.db2.gz IEDKWNLUFAGTQE-UHFFFAOYSA-N 0 3 343.427 2.332 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000362688184 465942443 /nfs/dbraw/zinc/94/24/43/465942443.db2.gz SWXHOCPMGOVKFE-HKUYNNGSSA-N 0 3 331.504 2.467 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000362688184 465942449 /nfs/dbraw/zinc/94/24/49/465942449.db2.gz SWXHOCPMGOVKFE-HKUYNNGSSA-N 0 3 331.504 2.467 20 10 EECDHN Cn1nncc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370270003 466818780 /nfs/dbraw/zinc/81/87/80/466818780.db2.gz XLUNSALYBDITKQ-UHFFFAOYSA-N 0 3 337.374 2.175 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@](O)(c3ccc(F)cc3)C1)OCO2 ZINC000378475860 467315484 /nfs/dbraw/zinc/31/54/84/467315484.db2.gz UUTLWRHYZFFSBO-GOSISDBHSA-N 0 3 331.343 2.354 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@](O)(c3ccc(F)cc3)C1)OCO2 ZINC000378475860 467315486 /nfs/dbraw/zinc/31/54/86/467315486.db2.gz UUTLWRHYZFFSBO-GOSISDBHSA-N 0 3 331.343 2.354 20 10 EECDHN Oc1cc2c(cc1CN1CC[C@](O)(c3ccc(F)cc3)C1)OCO2 ZINC000378475860 467315490 /nfs/dbraw/zinc/31/54/90/467315490.db2.gz UUTLWRHYZFFSBO-GOSISDBHSA-N 0 3 331.343 2.354 20 10 EECDHN COc1ccc(O)c(CNc2ccc(C(=O)NCCN(C)C)cc2)c1 ZINC000529645931 467890137 /nfs/dbraw/zinc/89/01/37/467890137.db2.gz WULXVTJAPZUPOA-UHFFFAOYSA-N 0 3 343.427 2.304 20 10 EECDHN CN1CCN(Cc2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000732268838 577162331 /nfs/dbraw/zinc/16/23/31/577162331.db2.gz CVBOEXLVILRVCQ-UHFFFAOYSA-N 0 3 331.441 2.453 20 10 EECDHN O=S1(=O)CCN(c2ccc(CNCc3ccsc3)cc2)CC1 ZINC000733330952 577223237 /nfs/dbraw/zinc/22/32/37/577223237.db2.gz UWCDAUSYBBYQTM-UHFFFAOYSA-N 0 3 336.482 2.273 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000756484401 577844934 /nfs/dbraw/zinc/84/49/34/577844934.db2.gz WPSQXTOVJGAELW-ZYHUDNBSSA-N 0 3 344.452 2.387 20 10 EECDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000757704118 577862747 /nfs/dbraw/zinc/86/27/47/577862747.db2.gz XBOKJZLTGSDHLP-KDOFPFPSSA-N 0 3 330.476 2.343 20 10 EECDHN Cc1cc(O)c(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1C ZINC000742390610 577872217 /nfs/dbraw/zinc/87/22/17/577872217.db2.gz JVFFWOWRRDXPFP-CJNGLKHVSA-N 0 3 328.416 2.026 20 10 EECDHN C[C@@H]1C[C@H](C)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000740883376 578108779 /nfs/dbraw/zinc/10/87/79/578108779.db2.gz OAWQVMFADIWIJP-LSDHHAIUSA-N 0 3 349.450 2.009 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)CCOCC(F)F)N(C)C)cc1 ZINC000891246358 676240393 /nfs/dbraw/zinc/24/03/93/676240393.db2.gz BJRZOUPGHFHDDQ-OAHLLOKOSA-N 0 3 343.418 2.143 20 10 EECDHN COCCOc1ccc(CNCc2ccc(OC)c(OC)c2O)cn1 ZINC000892599647 681917437 /nfs/dbraw/zinc/91/74/37/681917437.db2.gz MROWLIYEYSIWDP-UHFFFAOYSA-N 0 3 348.399 2.119 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1[O-] ZINC000895316889 684482123 /nfs/dbraw/zinc/48/21/23/684482123.db2.gz SCEDLQWIWPEPOC-GFCCVEGCSA-N 0 3 327.222 2.077 20 10 EECDHN CC[C@H](C)N1C(=O)C[C@]2(CCCN(Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902349 1193597789 /nfs/dbraw/zinc/59/77/89/1193597789.db2.gz CROBWXRDBIZILI-DJJJIMSYSA-N 0 3 346.427 2.237 20 10 EECDHN COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618464 1190932855 /nfs/dbraw/zinc/93/28/55/1190932855.db2.gz ITNIDJNBRKHLGC-LJQANCHMSA-N 0 3 332.444 2.386 20 10 EECDHN COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618464 1190932859 /nfs/dbraw/zinc/93/28/59/1190932859.db2.gz ITNIDJNBRKHLGC-LJQANCHMSA-N 0 3 332.444 2.386 20 10 EECDHN COCCCN1CC[C@]2(CCCN2Cc2cc(OC)ccc2O)C1=O ZINC001272638309 1190945701 /nfs/dbraw/zinc/94/57/01/1190945701.db2.gz ROJISXLWBLFJMQ-LJQANCHMSA-N 0 3 348.443 2.004 20 10 EECDHN OC[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC000877540846 1199960774 /nfs/dbraw/zinc/96/07/74/1199960774.db2.gz CMEGWSYEQHNCML-OAHLLOKOSA-N 0 3 340.414 2.097 20 10 EECDHN CC[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000883369921 1202054694 /nfs/dbraw/zinc/05/46/94/1202054694.db2.gz CLVYRPXQSRXKQK-HKUYNNGSSA-N 0 3 347.503 2.230 20 10 EECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](N)CC3CC3)cc2F)C[C@@H](C)O1 ZINC000884194771 1202259174 /nfs/dbraw/zinc/25/91/74/1202259174.db2.gz RBPCJNGAEKZQHE-XNJGSVPQSA-N 0 3 349.450 2.183 20 10 EECDHN COC[C@@H](CO)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796362051 1213884351 /nfs/dbraw/zinc/88/43/51/1213884351.db2.gz JXKYOQUOLROYRE-LJQANCHMSA-N 0 3 326.440 2.346 20 10 EECDHN CCC1(CC)NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900186362 1234074601 /nfs/dbraw/zinc/07/46/01/1234074601.db2.gz YVSNVNHEAFVIRJ-MRXNPFEDSA-N 0 3 346.475 2.466 20 10 EECDHN C[C@@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1ccccc1[O-] ZINC000903181277 1239952146 /nfs/dbraw/zinc/95/21/46/1239952146.db2.gz OOXSAWCYPPKYIY-CQSZACIVSA-N 0 3 326.396 2.464 20 10 EECDHN COC(=O)N(C)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000827371777 1247964519 /nfs/dbraw/zinc/96/45/19/1247964519.db2.gz ZXZMTIIWLPNFTI-UHFFFAOYSA-N 0 3 331.210 2.251 20 10 EECDHN N[C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000827567265 1248463832 /nfs/dbraw/zinc/46/38/32/1248463832.db2.gz FOZYJGUMEKGDBA-IBGZPJMESA-N 0 3 345.487 2.437 20 10 EECDHN CC[C@@H](C)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000104685938 1285378681 /nfs/dbraw/zinc/37/86/81/1285378681.db2.gz SLNCVELQZKKICH-CQSZACIVSA-N 0 3 337.439 2.009 20 10 EECDHN COC(=O)CN1CCN(Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234997422 1305078848 /nfs/dbraw/zinc/07/88/48/1305078848.db2.gz YLJDLMOOPVAIDD-UHFFFAOYSA-N 0 3 340.423 2.350 20 10 EECDHN C[C@H]1C[C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2c1c(F)ccc2[O-] ZINC000858469049 1294126422 /nfs/dbraw/zinc/12/64/22/1294126422.db2.gz OEBZWWVISJWBLS-UBHSHLNASA-N 0 3 335.423 2.009 20 10 EECDHN Cc1ccc(C)n1-c1ccc(-c2noc(CN(C)C(=O)CN)n2)cc1 ZINC001211361493 1295843665 /nfs/dbraw/zinc/84/36/65/1295843665.db2.gz HJEKYTHVGXJTPS-UHFFFAOYSA-N 0 3 339.399 2.061 20 10 EECDHN Cc1noc(NC(=O)C23CC([NH2+]Cc4ccc(O)cc4[O-])(C2)C3)c1C ZINC001277192815 1301747065 /nfs/dbraw/zinc/74/70/65/1301747065.db2.gz UZNOSIBCZKZRGF-UHFFFAOYSA-N 0 3 343.383 2.354 20 10 EECDHN Cc1cccc(CN2CC3(C2)CCN(C(=O)c2cccnc2)C3)c1O ZINC001231592310 1303859533 /nfs/dbraw/zinc/85/95/33/1303859533.db2.gz GQKOXLVOEZCMJF-UHFFFAOYSA-N 0 3 337.423 2.444 20 10 EECDHN COc1cc(CN2CCC[C@@H](Oc3nccc(C)n3)C2)c(O)cc1O ZINC001231641063 1303878259 /nfs/dbraw/zinc/87/82/59/1303878259.db2.gz YONFJQAYUSETPI-CQSZACIVSA-N 0 3 345.399 2.248 20 10 EECDHN C[N@H+](C1CN(Cc2cccc(C(F)(F)F)c2[O-])C1)[C@@H]1CCOC1 ZINC001233418595 1304462279 /nfs/dbraw/zinc/46/22/79/1304462279.db2.gz NPPWYCODKYVFAL-GFCCVEGCSA-N 0 3 330.350 2.316 20 10 EECDHN C[N@@H+](C1CN(Cc2cccc(C(F)(F)F)c2[O-])C1)[C@@H]1CCOC1 ZINC001233418595 1304462281 /nfs/dbraw/zinc/46/22/81/1304462281.db2.gz NPPWYCODKYVFAL-GFCCVEGCSA-N 0 3 330.350 2.316 20 10 EECDHN C[C@H]1CN(Cc2ccc(I)cc2[O-])CCC[NH2+]1 ZINC001236100937 1305501196 /nfs/dbraw/zinc/50/11/96/1305501196.db2.gz QJNJRTDKAKODIL-JTQLQIEISA-N 0 3 346.212 2.181 20 10 EECDHN CCN(CC[NH2+]C)Cc1ccc(I)cc1[O-] ZINC001236142290 1305510111 /nfs/dbraw/zinc/51/01/11/1305510111.db2.gz BXFRVTVVJWMKGF-UHFFFAOYSA-N 0 3 334.201 2.038 20 10 EECDHN COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C[C@@H]1[NH3+] ZINC001236364549 1305569816 /nfs/dbraw/zinc/56/98/16/1305569816.db2.gz YLMMEOHPUJXSOM-RISCZKNCSA-N 0 3 340.851 2.275 20 10 EECDHN COc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])cc1Br ZINC001236748568 1305658020 /nfs/dbraw/zinc/65/80/20/1305658020.db2.gz RHBLFBAVOCNCTD-PHIMTYICSA-N 0 3 328.206 2.242 20 10 EECDHN COc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])cc1Br ZINC001236748568 1305658023 /nfs/dbraw/zinc/65/80/23/1305658023.db2.gz RHBLFBAVOCNCTD-PHIMTYICSA-N 0 3 328.206 2.242 20 10 EECDHN COc1cc(CN2C[C@@H]3COC[C@@H]3C2)c(O)cc1Br ZINC001236748568 1305658029 /nfs/dbraw/zinc/65/80/29/1305658029.db2.gz RHBLFBAVOCNCTD-PHIMTYICSA-N 0 3 328.206 2.242 20 10 EECDHN CCc1ccc(C[N@@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c([O-])c1 ZINC001236788725 1305677590 /nfs/dbraw/zinc/67/75/90/1305677590.db2.gz NWEBBKYBJJFKFJ-WMZOPIPTSA-N 0 3 337.423 2.444 20 10 EECDHN CCc1ccc(C[N@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c([O-])c1 ZINC001236788725 1305677594 /nfs/dbraw/zinc/67/75/94/1305677594.db2.gz NWEBBKYBJJFKFJ-WMZOPIPTSA-N 0 3 337.423 2.444 20 10 EECDHN CCOc1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c([O-])c1 ZINC001237043055 1305776551 /nfs/dbraw/zinc/77/65/51/1305776551.db2.gz NDRYNOZYEAFMCZ-HOTGVXAUSA-N 0 3 340.427 2.149 20 10 EECDHN CC(C)c1ccc(CN2CCC(N(C)S(C)(=O)=O)CC2)c(O)c1 ZINC001237047934 1305777645 /nfs/dbraw/zinc/77/76/45/1305777645.db2.gz ASYVECOJDJIUMM-UHFFFAOYSA-N 0 3 340.489 2.371 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3ncc(C)cn3)C2)c(O)c(OC)c1 ZINC001237682666 1306045868 /nfs/dbraw/zinc/04/58/68/1306045868.db2.gz CDXLYMNWBHOREU-AWEZNQCLSA-N 0 3 345.399 2.161 20 10 EECDHN CCNC(=O)CO[C@@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673007 1314756829 /nfs/dbraw/zinc/75/68/29/1314756829.db2.gz NRDHUJBDPJANMX-QGZVFWFLSA-N 0 3 333.476 2.178 20 10 EECDHN O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3cc(F)ccc3[O-])C[C@@H]2C1 ZINC001140054201 1314805830 /nfs/dbraw/zinc/80/58/30/1314805830.db2.gz LRVQVNPDYPNDIJ-ZIAGYGMSSA-N 0 3 330.359 2.328 20 10 EECDHN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834902913 1314888047 /nfs/dbraw/zinc/88/80/47/1314888047.db2.gz DUZPNWPYJKCKLM-MZMPZRCHSA-N 0 3 338.423 2.117 20 10 EECDHN COc1cc(O)c(CN2CCC[C@@]3(CCCC(=O)N3)C2)c(OC)c1 ZINC001141034743 1315021861 /nfs/dbraw/zinc/02/18/61/1315021861.db2.gz OQIDKYPBXINABF-SFHVURJKSA-N 0 3 334.416 2.044 20 10 EECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c(OC)c1 ZINC001141034743 1315021865 /nfs/dbraw/zinc/02/18/65/1315021865.db2.gz OQIDKYPBXINABF-SFHVURJKSA-N 0 3 334.416 2.044 20 10 EECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c(OC)c1 ZINC001141034743 1315021870 /nfs/dbraw/zinc/02/18/70/1315021870.db2.gz OQIDKYPBXINABF-SFHVURJKSA-N 0 3 334.416 2.044 20 10 EECDHN COc1ccc(CNC(=O)CNCc2ccc(N(C)C)cc2C)cc1 ZINC000840934079 1315440531 /nfs/dbraw/zinc/44/05/31/1315440531.db2.gz WUGUWTFEUYKURB-UHFFFAOYSA-N 0 3 341.455 2.476 20 10 EECDHN CC1(C)CNCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841848922 1315622867 /nfs/dbraw/zinc/62/28/67/1315622867.db2.gz JMEISFXZZPYBNX-UHFFFAOYSA-N 0 3 330.457 2.140 20 10 EECDHN Oc1cc(F)c(F)cc1CN1CCN(CCc2ccncc2)CC1 ZINC001142521029 1315648292 /nfs/dbraw/zinc/64/82/92/1315648292.db2.gz UYRLIDLFKIKGCF-UHFFFAOYSA-N 0 3 333.382 2.426 20 10 EECDHN COc1ncc(-c2noc(C[C@@H]([NH3+])c3ccccc3[O-])n2)cc1C ZINC001249340235 1317056739 /nfs/dbraw/zinc/05/67/39/1317056739.db2.gz WZCLZQTUIGIMMD-CYBMUJFWSA-N 0 3 326.356 2.397 20 10 EECDHN CCOc1ccc(N2CCN(C3CCN(C(C)=O)CC3)CC2)cc1 ZINC001254431480 1318073728 /nfs/dbraw/zinc/07/37/28/1318073728.db2.gz RJSYXHDBOHPNGW-UHFFFAOYSA-N 0 3 331.460 2.218 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001203552266 1321910360 /nfs/dbraw/zinc/91/03/60/1321910360.db2.gz GYRJMXPBIHASRK-UYAOXDASSA-N 0 3 340.423 2.452 20 10 EECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001203552266 1321910363 /nfs/dbraw/zinc/91/03/63/1321910363.db2.gz GYRJMXPBIHASRK-UYAOXDASSA-N 0 3 340.423 2.452 20 10 EECDHN [O-]c1ccccc1C[N@@H+]1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001203552551 1321911037 /nfs/dbraw/zinc/91/10/37/1321911037.db2.gz NWWDLMAVJOGERQ-MJGOQNOKSA-N 0 3 343.427 2.039 20 10 EECDHN [O-]c1ccccc1C[N@H+]1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001203552551 1321911039 /nfs/dbraw/zinc/91/10/39/1321911039.db2.gz NWWDLMAVJOGERQ-MJGOQNOKSA-N 0 3 343.427 2.039 20 10 EECDHN C[N@H+](CCCON1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC001261262208 1322052089 /nfs/dbraw/zinc/05/20/89/1322052089.db2.gz PUFHBTYPUHZVPB-UHFFFAOYSA-N 0 3 340.379 2.442 20 10 EECDHN C[N@@H+](CCCON1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC001261262208 1322052091 /nfs/dbraw/zinc/05/20/91/1322052091.db2.gz PUFHBTYPUHZVPB-UHFFFAOYSA-N 0 3 340.379 2.442 20 10 EECDHN CN1CCN(c2ccc(CNCc3ccc(F)cn3)cc2F)CC1 ZINC001319166672 1332659337 /nfs/dbraw/zinc/65/93/37/1332659337.db2.gz WFWLGNWIKCYQIG-UHFFFAOYSA-N 0 3 332.398 2.401 20 10 EECDHN Cc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)c([O-])c1 ZINC001140950395 1372725691 /nfs/dbraw/zinc/72/56/91/1372725691.db2.gz RULKLPHTTQZPAO-ROUUACIJSA-N 0 3 337.423 2.300 20 10 EECDHN COc1nccc(NCc2ccc(N3CCN(C)CC3)cc2)c1N ZINC001167431194 759342952 /nfs/dbraw/zinc/34/29/52/759342952.db2.gz LTWRTRUSKMYYBB-UHFFFAOYSA-N 0 3 327.432 2.036 20 10 EECDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)[C@H]1COCC12OCCO2 ZINC000840796391 783005585 /nfs/dbraw/zinc/00/55/85/783005585.db2.gz MHHNVDGCPPXBCX-GOEBONIOSA-N 0 3 333.428 2.385 20 10 EECDHN Cc1cc(N2CC=C(CCNC(=O)[C@H](C(C)C)N(C)C)CC2)ncn1 ZINC001089840572 777613520 /nfs/dbraw/zinc/61/35/20/777613520.db2.gz VXPVIGODUGUDOF-SFHVURJKSA-N 0 3 345.491 2.014 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1[O-] ZINC000816666875 784180416 /nfs/dbraw/zinc/18/04/16/784180416.db2.gz XUCDXAYTOCTALR-IAGOWNOFSA-N 0 3 341.835 2.464 20 10 EECDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC[C@H]1CCCO1 ZINC000818608217 785321246 /nfs/dbraw/zinc/32/12/46/785321246.db2.gz UAWFBNIXDRRVTF-GOSISDBHSA-N 0 3 333.476 2.258 20 10 EECDHN C[C@@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)c2nccn21 ZINC000825017757 788396758 /nfs/dbraw/zinc/39/67/58/788396758.db2.gz YUWBMWWNTICMTG-CRAIPNDOSA-N 0 3 325.460 2.431 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCC[N@@H+]1C ZINC000844307384 789004554 /nfs/dbraw/zinc/00/45/54/789004554.db2.gz QAVAHBLMOJMPEI-CQSZACIVSA-N 0 3 326.824 2.115 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCC[N@H+]1C ZINC000844307384 789004563 /nfs/dbraw/zinc/00/45/63/789004563.db2.gz QAVAHBLMOJMPEI-CQSZACIVSA-N 0 3 326.824 2.115 20 10 EECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1[O-] ZINC000808675301 812807072 /nfs/dbraw/zinc/80/70/72/812807072.db2.gz CCLOOFJRJOSMLQ-LLVKDONJSA-N 0 3 326.824 2.287 20 10 EECDHN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N(C)C)cc1 ZINC000090116313 237028061 /nfs/dbraw/zinc/02/80/61/237028061.db2.gz ZACKWVMVUWPYKT-YOEHRIQHSA-N 0 3 341.459 2.332 20 10 EECDHN CCn1nccc1N1CCC[C@@H](NCc2cccc(C)c2O)C1=O ZINC000191621826 237262238 /nfs/dbraw/zinc/26/22/38/237262238.db2.gz PXJHIWHTPAMLKZ-OAHLLOKOSA-N 0 3 328.416 2.202 20 10 EECDHN CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cccc(C)c2[O-])C1=O ZINC000191621826 237262246 /nfs/dbraw/zinc/26/22/46/237262246.db2.gz PXJHIWHTPAMLKZ-OAHLLOKOSA-N 0 3 328.416 2.202 20 10 EECDHN COc1cc(O)c(CN2CCS[C@@H]3COCC[C@@H]32)cc1OC ZINC000271106367 464281263 /nfs/dbraw/zinc/28/12/63/464281263.db2.gz RTCCPOSKGFIKJR-BLLLJJGKSA-N 0 3 325.430 2.116 20 10 EECDHN CN(C)[C@H](CNC(=O)CN(C)Cc1ccccc1O)c1ccccc1 ZINC000159134910 463270549 /nfs/dbraw/zinc/27/05/49/463270549.db2.gz KHQHJRYFURSQNR-GOSISDBHSA-N 0 3 341.455 2.243 20 10 EECDHN COc1cccc(CNC(=O)NCc2cccc(CN(C)C)c2)c1O ZINC000073713196 463646012 /nfs/dbraw/zinc/64/60/12/463646012.db2.gz BICPKRDKUQAQQM-UHFFFAOYSA-N 0 3 343.427 2.462 20 10 EECDHN CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000276907173 463802275 /nfs/dbraw/zinc/80/22/75/463802275.db2.gz IRCGCTJBWWWJLD-UHFFFAOYSA-N 0 3 326.462 2.075 20 10 EECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000194260485 463823944 /nfs/dbraw/zinc/82/39/44/463823944.db2.gz LDHYQGQEFOPVHR-QAPCUYQASA-N 0 3 335.492 2.323 20 10 EECDHN Oc1cc2c(cc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1)OCO2 ZINC000278420586 463964573 /nfs/dbraw/zinc/96/45/73/463964573.db2.gz RMQHVYJYTXBSAN-LKFCYVNXSA-N 0 3 333.306 2.256 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000186595616 464030174 /nfs/dbraw/zinc/03/01/74/464030174.db2.gz XKQVGQOYNSGZBG-CYBMUJFWSA-N 0 3 341.883 2.170 20 10 EECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)OCO2 ZINC000289946026 464102889 /nfs/dbraw/zinc/10/28/89/464102889.db2.gz UOLBVMZOEOKJIK-HNAYVOBHSA-N 0 3 327.380 2.377 20 10 EECDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc3c(c2)CCCN3C)C1(C)C ZINC000188136360 464208160 /nfs/dbraw/zinc/20/81/60/464208160.db2.gz REQCUJIGZIYRNP-FXAWDEMLSA-N 0 3 345.487 2.218 20 10 EECDHN CC(C)[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000236788235 464225968 /nfs/dbraw/zinc/22/59/68/464225968.db2.gz WLLAYODUFAFMDA-WFASDCNBSA-N 0 3 341.402 2.356 20 10 EECDHN OC[C@@]1(NCc2cc3c(cc2O)OCO3)CCCc2ccccc21 ZINC000282451639 464824180 /nfs/dbraw/zinc/82/41/80/464824180.db2.gz SLMFVGQNDAXEHH-IBGZPJMESA-N 0 3 327.380 2.435 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000295824955 464977479 /nfs/dbraw/zinc/97/74/79/464977479.db2.gz CCJYEBLVCFMQSB-UHOSZYNNSA-N 0 3 345.487 2.114 20 10 EECDHN COCCN(C)CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000726983404 576364260 /nfs/dbraw/zinc/36/42/60/576364260.db2.gz VBZNBXIETVOMFR-UHFFFAOYSA-N 0 3 335.473 2.464 20 10 EECDHN CCN1CCC[C@H]1CNC(=S)N[C@H](C)c1cc(OC)ccc1O ZINC000728792521 576529626 /nfs/dbraw/zinc/52/96/26/576529626.db2.gz LFCQXBADIYBAOS-OLZOCXBDSA-N 0 3 337.489 2.410 20 10 EECDHN CN(Cc1ccccc1O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734279629 577286628 /nfs/dbraw/zinc/28/66/28/577286628.db2.gz ARBPZECOHVGFGP-KRWDZBQOSA-N 0 3 347.459 2.177 20 10 EECDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775634754 577441435 /nfs/dbraw/zinc/44/14/35/577441435.db2.gz WIGKOQUFDIDTGY-GOSISDBHSA-N 0 3 345.487 2.214 20 10 EECDHN CO[C@@]1(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000763572270 577722798 /nfs/dbraw/zinc/72/27/98/577722798.db2.gz MNDBQDKTSVXWTO-KBXCAEBGSA-N 0 3 338.423 2.118 20 10 EECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](C)c3c1c([O-])ccc3F)CC2 ZINC000756756089 577849802 /nfs/dbraw/zinc/84/98/02/577849802.db2.gz DXROLWIMCWYNFL-DMDPSCGWSA-N 0 3 346.406 2.422 20 10 EECDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@H](C)c3c1c([O-])ccc3F)CC2 ZINC000756756090 577849822 /nfs/dbraw/zinc/84/98/22/577849822.db2.gz DXROLWIMCWYNFL-LOWVWBTDSA-N 0 3 346.406 2.422 20 10 EECDHN COc1ccc(O)c([C@@H](C)N[C@@H](CCSC)C(=O)N(C)OC)c1 ZINC000756757733 577849864 /nfs/dbraw/zinc/84/98/64/577849864.db2.gz BGCUERNVOLPOGE-RISCZKNCSA-N 0 3 342.461 2.193 20 10 EECDHN CCCN1CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000749564193 577978181 /nfs/dbraw/zinc/97/81/81/577978181.db2.gz VWZHEIQYBUCEKE-IBGZPJMESA-N 0 3 345.487 2.356 20 10 EECDHN CCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000891243101 676233830 /nfs/dbraw/zinc/23/38/30/676233830.db2.gz HPLOZXPBWXLFIX-KRWDZBQOSA-N 0 3 330.432 2.336 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)nn2)N(C)C)cc1 ZINC000891246244 676238814 /nfs/dbraw/zinc/23/88/14/676238814.db2.gz BDIYQIWKYIQFLB-OAHLLOKOSA-N 0 3 347.850 2.229 20 10 EECDHN CCOc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)on1 ZINC000891246613 676240648 /nfs/dbraw/zinc/24/06/48/676240648.db2.gz CGTDXOQHODIXRQ-HNNXBMFYSA-N 0 3 346.431 2.172 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCOCC2)N(C)C)cc1 ZINC000891247518 676242101 /nfs/dbraw/zinc/24/21/01/676242101.db2.gz HZDVBDUDUSTLLQ-WMZOPIPTSA-N 0 3 333.476 2.288 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2c(F)ccnc2F)N(C)C)cc1 ZINC000891247806 676243171 /nfs/dbraw/zinc/24/31/71/676243171.db2.gz KONVEZHUKJAYCZ-OAHLLOKOSA-N 0 3 348.397 2.459 20 10 EECDHN CCOC1CC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891249795 676244628 /nfs/dbraw/zinc/24/46/28/676244628.db2.gz SWOJNMBECIDPMW-VJFUWPCTSA-N 0 3 333.476 2.287 20 10 EECDHN CCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC000891254709 676250334 /nfs/dbraw/zinc/25/03/34/676250334.db2.gz INASUCFARGQHCC-KRWDZBQOSA-N 0 3 329.448 2.071 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccco2)N(C)C)cc1 ZINC000891404936 676571344 /nfs/dbraw/zinc/57/13/44/676571344.db2.gz PBWNOASIPUGOSD-KRWDZBQOSA-N 0 3 330.432 2.448 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2nccs2)N(C)C)cc1 ZINC000892110071 678012394 /nfs/dbraw/zinc/01/23/94/678012394.db2.gz JDDPXAFWGUZDQF-OAHLLOKOSA-N 0 3 347.488 2.311 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCc2nccs2)N(C)C)cc1 ZINC000892110069 678012495 /nfs/dbraw/zinc/01/24/95/678012495.db2.gz JDDPXAFWGUZDQF-HNNXBMFYSA-N 0 3 347.488 2.311 20 10 EECDHN COCC[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892604257 681938410 /nfs/dbraw/zinc/93/84/10/681938410.db2.gz QGOGPECINKDKLT-RHSMWYFYSA-N 0 3 336.480 2.080 20 10 EECDHN CC(=O)OC[C@H](C)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892621552 681992263 /nfs/dbraw/zinc/99/22/63/681992263.db2.gz KYXOGUPIFPWRKK-IHRRRGAJSA-N 0 3 338.423 2.481 20 10 EECDHN CC1(C)OC[C@H](CNCc2cc(F)c(N3CCOCC3)c(F)c2)O1 ZINC000894842751 683181630 /nfs/dbraw/zinc/18/16/30/683181630.db2.gz DDNSMAOAZWEDSU-ZDUSSCGKSA-N 0 3 342.386 2.043 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC000895004874 683461384 /nfs/dbraw/zinc/46/13/84/683461384.db2.gz VOAHFPIHBQNITO-HXUWFJFHSA-N 0 3 340.423 2.420 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c([O-])c1 ZINC000895004874 683461387 /nfs/dbraw/zinc/46/13/87/683461387.db2.gz VOAHFPIHBQNITO-HXUWFJFHSA-N 0 3 340.423 2.420 20 10 EECDHN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccccc1O ZINC001272618103 1190933156 /nfs/dbraw/zinc/93/31/56/1190933156.db2.gz BKQJZZNCISUELK-IFXJQAMLSA-N 0 3 330.428 2.327 20 10 EECDHN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1ccccc1O ZINC001272618107 1190933163 /nfs/dbraw/zinc/93/31/63/1190933163.db2.gz BKQJZZNCISUELK-LIRRHRJNSA-N 0 3 330.428 2.327 20 10 EECDHN CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272619842 1190934682 /nfs/dbraw/zinc/93/46/82/1190934682.db2.gz ZXPWYTNFMLXHFT-BBRMVZONSA-N 0 3 330.428 2.088 20 10 EECDHN CC(C)c1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001274780270 1205161042 /nfs/dbraw/zinc/16/10/42/1205161042.db2.gz UFPDICDOPXQJNS-IBGZPJMESA-N 0 3 332.444 2.196 20 10 EECDHN CC(C)c1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001274780270 1205161043 /nfs/dbraw/zinc/16/10/43/1205161043.db2.gz UFPDICDOPXQJNS-IBGZPJMESA-N 0 3 332.444 2.196 20 10 EECDHN CCc1noc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000931546365 1207409723 /nfs/dbraw/zinc/40/97/23/1207409723.db2.gz BDGUQUUJPUUQNJ-AWEZNQCLSA-N 0 3 346.435 2.122 20 10 EECDHN C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203656561 1279439854 /nfs/dbraw/zinc/43/98/54/1279439854.db2.gz SNZNYDVUKHTYCL-ZDUSSCGKSA-N 0 3 334.851 2.436 20 10 EECDHN Cc1cc(O[C@@H]2C[NH2+]C[C@@H]2F)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001217998718 1297543188 /nfs/dbraw/zinc/54/31/88/1297543188.db2.gz ZHLCPLWTICGENX-SWLSCSKDSA-N 0 3 341.338 2.165 20 10 EECDHN COC(=O)[C@H]1CNCCN1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001222414308 1299555737 /nfs/dbraw/zinc/55/57/37/1299555737.db2.gz JWXFUWYJDKTREE-GOSISDBHSA-N 0 3 327.428 2.041 20 10 EECDHN O=C([C@@H]1CCSC12CN(Cc1ccccc1O)C2)N1CCCCO1 ZINC001277445853 1303066759 /nfs/dbraw/zinc/06/67/59/1303066759.db2.gz JJOVGMYBRKQEHM-HNNXBMFYSA-N 0 3 348.468 2.254 20 10 EECDHN COC(=O)[C@H]1CCCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000781528311 1303814269 /nfs/dbraw/zinc/81/42/69/1303814269.db2.gz VJBMQQINGCZXFK-LJQANCHMSA-N 0 3 345.487 2.356 20 10 EECDHN COc1cc(CN2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)cc1O ZINC001231634600 1303871935 /nfs/dbraw/zinc/87/19/35/1303871935.db2.gz POYCLRVXAWKMDI-LKFCYVNXSA-N 0 3 335.322 2.242 20 10 EECDHN COC(=O)c1ccc(C2CN(Cc3cc(OC)c(O)cc3O)C2)cc1 ZINC001231640924 1303877559 /nfs/dbraw/zinc/87/75/59/1303877559.db2.gz XDIBOSWCGXANQM-UHFFFAOYSA-N 0 3 343.379 2.492 20 10 EECDHN Oc1cc(O)c(CN2CCC(O)(Cc3ccccc3)CC2)cc1O ZINC001233482563 1304476271 /nfs/dbraw/zinc/47/62/71/1304476271.db2.gz SDDXFDLOBDUZEJ-UHFFFAOYSA-N 0 3 329.396 2.373 20 10 EECDHN C[C@@H]1CC[C@H]([NH3+])CN1Cc1ccc(I)cc1[O-] ZINC001235901572 1305440587 /nfs/dbraw/zinc/44/05/87/1305440587.db2.gz DLLABVALCCVXJK-SKDRFNHKSA-N 0 3 346.212 2.308 20 10 EECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC001237678384 1306041848 /nfs/dbraw/zinc/04/18/48/1306041848.db2.gz YJTVXLSWJYVDSQ-JTQLQIEISA-N 0 3 327.222 2.160 20 10 EECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC001237678384 1306041837 /nfs/dbraw/zinc/04/18/37/1306041837.db2.gz YJTVXLSWJYVDSQ-JTQLQIEISA-N 0 3 327.222 2.160 20 10 EECDHN COc1ccc(CN[C@@H](C)C(=O)N2CCCC[C@H]2C)c(O)c1OC ZINC001120027921 1309288731 /nfs/dbraw/zinc/28/87/31/1309288731.db2.gz VDYOAMPNSCLEHT-OLZOCXBDSA-N 0 3 336.432 2.289 20 10 EECDHN COCCCCN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499821 1314622808 /nfs/dbraw/zinc/62/28/08/1314622808.db2.gz KITSKUBFHDOEHX-UHFFFAOYSA-N 0 3 347.503 2.067 20 10 EECDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834540752 1314848343 /nfs/dbraw/zinc/84/83/43/1314848343.db2.gz IQOBNJJEEGDFCE-MRXNPFEDSA-N 0 3 346.452 2.256 20 10 EECDHN CCN1CCN(c2ccc(CN3CCc4ncncc4C3)cc2)CC1 ZINC001140304534 1314862489 /nfs/dbraw/zinc/86/24/89/1314862489.db2.gz TZKYAPAVEBVOKL-UHFFFAOYSA-N 0 3 337.471 2.177 20 10 EECDHN c1c(CN2CCN([C@@H]3CCOC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141074353 1315036415 /nfs/dbraw/zinc/03/64/15/1315036415.db2.gz GAJMMEZPOBRRPK-HXUWFJFHSA-N 0 3 341.499 2.292 20 10 EECDHN Cc1cc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000840151889 1315310838 /nfs/dbraw/zinc/31/08/38/1315310838.db2.gz HBHQSYTYMPCZOE-HOTGVXAUSA-N 0 3 332.444 2.087 20 10 EECDHN CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000840156310 1315312789 /nfs/dbraw/zinc/31/27/89/1315312789.db2.gz DZAQIJVBQOGFDB-QGZVFWFLSA-N 0 3 331.416 2.210 20 10 EECDHN CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000840156310 1315312792 /nfs/dbraw/zinc/31/27/92/1315312792.db2.gz DZAQIJVBQOGFDB-QGZVFWFLSA-N 0 3 331.416 2.210 20 10 EECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000840935393 1315440573 /nfs/dbraw/zinc/44/05/73/1315440573.db2.gz OAIYITFXHNQFBO-QGZVFWFLSA-N 0 3 341.459 2.080 20 10 EECDHN CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001276473506 1322179449 /nfs/dbraw/zinc/17/94/49/1322179449.db2.gz ZCVWTESCOFWBHM-AGUYFDCRSA-N 0 3 339.430 2.317 20 10 EECDHN C[C@H]1C[NH2+]CCCN1Cc1ccc(I)cc1[O-] ZINC001206263398 1323441613 /nfs/dbraw/zinc/44/16/13/1323441613.db2.gz WMRFJNXCSWOUDI-JTQLQIEISA-N 0 3 346.212 2.181 20 10 EECDHN CN1CCN(c2ccc(CN3CCC(CCO)CC3)cc2F)CC1 ZINC001319691256 1332742662 /nfs/dbraw/zinc/74/26/62/1332742662.db2.gz MOBYVOLJUHXJHL-UHFFFAOYSA-N 0 3 335.467 2.172 20 10 EECDHN CN1CCN(c2ccc(CN3CCN(C)CC3(C)C)cc2F)CC1 ZINC001320497275 1332897359 /nfs/dbraw/zinc/89/73/59/1332897359.db2.gz FXAYCCTYVCXXAJ-UHFFFAOYSA-N 0 3 334.483 2.104 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC001320523114 1332902734 /nfs/dbraw/zinc/90/27/34/1332902734.db2.gz VWVLXBHUBSRMCY-RHSMWYFYSA-N 0 3 331.416 2.222 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC001320523114 1332902737 /nfs/dbraw/zinc/90/27/37/1332902737.db2.gz VWVLXBHUBSRMCY-RHSMWYFYSA-N 0 3 331.416 2.222 20 10 EECDHN COc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)ccc1-c1nnn[n-]1 ZINC001609344640 1351939226 /nfs/dbraw/zinc/93/92/26/1351939226.db2.gz OTIGIHHOKFMOGO-AWEZNQCLSA-N 0 3 337.383 2.358 20 10 EECDHN COCC1=CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001338342064 1336843862 /nfs/dbraw/zinc/84/38/62/1336843862.db2.gz UFKSIADZFJAPPW-UHFFFAOYSA-N 0 3 333.451 2.356 20 10 EECDHN O=C(NCc1c(O)cccc1F)Nc1ccnc([C@H]2CCCN2)n1 ZINC001580707733 1344552634 /nfs/dbraw/zinc/55/26/34/1344552634.db2.gz FJUKFVPDJDSCBF-GFCCVEGCSA-N 0 3 331.351 2.068 20 10 EECDHN CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000853540145 1369348295 /nfs/dbraw/zinc/34/82/95/1369348295.db2.gz FRLNZPWSJFSQDH-CQSZACIVSA-N 0 3 334.416 2.422 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@]2(C)CCOC2)N(C)C)cc1 ZINC001121911108 1371932740 /nfs/dbraw/zinc/93/27/40/1371932740.db2.gz RHAHTCFVHIYLBZ-PKOBYXMFSA-N 0 3 348.491 2.081 20 10 EECDHN Nc1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000837303380 1372779651 /nfs/dbraw/zinc/77/96/51/1372779651.db2.gz KHNQEIDMHVRKNC-UHFFFAOYSA-N 0 3 338.455 2.097 20 10 EECDHN Cc1cc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)ccc1N1CCCCC1 ZINC000839064159 1372886798 /nfs/dbraw/zinc/88/67/98/1372886798.db2.gz UKEUEVDSBAJVIO-HKUYNNGSSA-N 0 3 343.471 2.075 20 10 EECDHN CC[C@H](C)C[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000400963943 1409773084 /nfs/dbraw/zinc/77/30/84/1409773084.db2.gz SMPQZFAAMSUSSZ-YJBOKZPZSA-N 0 3 333.476 2.245 20 10 EECDHN CCOc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000824533837 788205617 /nfs/dbraw/zinc/20/56/17/788205617.db2.gz PUUNDRZSUVRDBH-UHFFFAOYSA-N 0 3 341.473 2.484 20 10 EECDHN CCOc1ccc(O)c(CNCc2cccc(S(C)(=O)=O)c2)c1 ZINC000824789422 788319648 /nfs/dbraw/zinc/31/96/48/788319648.db2.gz AMCRQAZHDIGODM-UHFFFAOYSA-N 0 3 335.425 2.484 20 10 EECDHN CCOCCOCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000922940666 788380096 /nfs/dbraw/zinc/38/00/96/788380096.db2.gz FSMJTYZFNMFQAV-UHFFFAOYSA-N 0 3 348.237 2.306 20 10 EECDHN COc1cccc([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000846150720 790064094 /nfs/dbraw/zinc/06/40/94/790064094.db2.gz NORZCWZXKJITLT-ONGXEEELSA-N 0 3 332.322 2.215 20 10 EECDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000174066296 791947744 /nfs/dbraw/zinc/94/77/44/791947744.db2.gz PPEOHZMPLHNSGD-GASCZTMLSA-N 0 3 349.450 2.151 20 10 EECDHN COC(=O)COc1ccc(C[NH2+]Cc2ccccc2[O-])cc1[N+](=O)[O-] ZINC000788960829 807774260 /nfs/dbraw/zinc/77/42/60/807774260.db2.gz VSBUKAXOZNFBRH-UHFFFAOYSA-N 0 3 346.339 2.142 20 10 EECDHN CC(C)(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCCC1 ZINC000793396408 810318530 /nfs/dbraw/zinc/31/85/30/810318530.db2.gz YPZLBZSSJPZUKM-UHFFFAOYSA-N 0 3 331.460 2.014 20 10 EECDHN COCCN(CCN(C)C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000350031008 238196825 /nfs/dbraw/zinc/19/68/25/238196825.db2.gz DEFVYSCZBPVASY-UHFFFAOYSA-N 0 3 346.475 2.206 20 10 EECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000076074336 462801689 /nfs/dbraw/zinc/80/16/89/462801689.db2.gz SYXHRAANXINREA-MRXNPFEDSA-N 0 3 333.476 2.157 20 10 EECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000076074336 462801695 /nfs/dbraw/zinc/80/16/95/462801695.db2.gz SYXHRAANXINREA-MRXNPFEDSA-N 0 3 333.476 2.157 20 10 EECDHN CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000155111434 462848412 /nfs/dbraw/zinc/84/84/12/462848412.db2.gz AHKVMPHYHZVZAM-KRWDZBQOSA-N 0 3 333.476 2.424 20 10 EECDHN COc1cccc(CNC(=O)NCCN(C)Cc2ccccc2)c1O ZINC000073821103 463660509 /nfs/dbraw/zinc/66/05/09/463660509.db2.gz ZJUZPOLKSKIEQO-UHFFFAOYSA-N 0 3 343.427 2.332 20 10 EECDHN Cc1cc(O)c(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1C ZINC000278719129 463977750 /nfs/dbraw/zinc/97/77/50/463977750.db2.gz KNLUYSNHVJMEEW-MRXNPFEDSA-N 0 3 338.473 2.009 20 10 EECDHN CCCOc1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000284038412 464073058 /nfs/dbraw/zinc/07/30/58/464073058.db2.gz OOLXDNXHEFIWII-WMLDXEAASA-N 0 3 325.449 2.429 20 10 EECDHN Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1O ZINC000179540132 464153772 /nfs/dbraw/zinc/15/37/72/464153772.db2.gz UIAWQNGMJDBPGY-OKILXGFUSA-N 0 3 336.432 2.025 20 10 EECDHN CC(C)N1C[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000271568005 464333937 /nfs/dbraw/zinc/33/39/37/464333937.db2.gz YTOKLEPNHRCSHQ-HOCLYGCPSA-N 0 3 349.450 2.322 20 10 EECDHN CCOc1cccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)c1O ZINC000285508598 464590221 /nfs/dbraw/zinc/59/02/21/464590221.db2.gz NXBMBJHTSQBXRX-CQSZACIVSA-N 0 3 348.365 2.144 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1 ZINC000182411570 464648097 /nfs/dbraw/zinc/64/80/97/464648097.db2.gz KTEXEGGPGOKIOX-LBPRGKRZSA-N 0 3 330.384 2.116 20 10 EECDHN COc1ccc(O)c([C@H](C)NCc2cccc(OCC(N)=O)c2)c1 ZINC000182411570 464648101 /nfs/dbraw/zinc/64/81/01/464648101.db2.gz KTEXEGGPGOKIOX-LBPRGKRZSA-N 0 3 330.384 2.116 20 10 EECDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1 ZINC000182411594 464648193 /nfs/dbraw/zinc/64/81/93/464648193.db2.gz KTEXEGGPGOKIOX-GFCCVEGCSA-N 0 3 330.384 2.116 20 10 EECDHN COc1ccc(O)c([C@@H](C)NCc2cccc(OCC(N)=O)c2)c1 ZINC000182411594 464648200 /nfs/dbraw/zinc/64/82/00/464648200.db2.gz KTEXEGGPGOKIOX-GFCCVEGCSA-N 0 3 330.384 2.116 20 10 EECDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(F)ccc1[O-] ZINC000273372602 464713671 /nfs/dbraw/zinc/71/36/71/464713671.db2.gz GKQFTVULUFDKGU-DGCLKSJQSA-N 0 3 349.358 2.351 20 10 EECDHN CN(C)c1ccc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000275145149 464765053 /nfs/dbraw/zinc/76/50/53/464765053.db2.gz PVQICKNCHWAVRC-GFCCVEGCSA-N 0 3 347.356 2.392 20 10 EECDHN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccccc1[O-] ZINC000183405171 464861924 /nfs/dbraw/zinc/86/19/24/464861924.db2.gz MSRSCYWARAFXCC-HNNXBMFYSA-N 0 3 326.444 2.390 20 10 EECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1C ZINC000359869071 465499895 /nfs/dbraw/zinc/49/98/95/465499895.db2.gz KSIUAIUVAUPNKO-INIZCTEOSA-N 0 3 339.439 2.476 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(CCC3)CC1)cc2=O ZINC000367626217 466458734 /nfs/dbraw/zinc/45/87/34/466458734.db2.gz NJRKFZUJUZMGGQ-UHFFFAOYSA-N 0 3 344.415 2.378 20 10 EECDHN CO[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000363669904 466547569 /nfs/dbraw/zinc/54/75/69/466547569.db2.gz CYPFWRRHWDKQFV-SFHVURJKSA-N 0 3 333.476 2.212 20 10 EECDHN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000373544738 466840963 /nfs/dbraw/zinc/84/09/63/466840963.db2.gz CXYYPHHZZDOVID-SFHVURJKSA-N 0 3 326.444 2.424 20 10 EECDHN COc1ccc(N2CCCN(C[C@@H](O)COCC(C)C)CC2)cc1 ZINC000365581705 466870351 /nfs/dbraw/zinc/87/03/51/466870351.db2.gz RMGXQYZPWNAYMM-GOSISDBHSA-N 0 3 336.476 2.241 20 10 EECDHN COCCN1CC[C@@H](NC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000471916842 467981602 /nfs/dbraw/zinc/98/16/02/467981602.db2.gz DILYMUGZDJZMGH-OAHLLOKOSA-N 0 3 344.459 2.007 20 10 EECDHN CN1CCN(c2ccc(CN[C@](C)(CO)c3ccccc3)cc2)CC1 ZINC000771853793 577234349 /nfs/dbraw/zinc/23/43/49/577234349.db2.gz PARKFHGCTYFYIH-OAQYLSRUSA-N 0 3 339.483 2.436 20 10 EECDHN C[C@H](NCC(=O)NCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000775260329 577433808 /nfs/dbraw/zinc/43/38/08/577433808.db2.gz OKUFANSNBZHEKT-HNNXBMFYSA-N 0 3 331.460 2.090 20 10 EECDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1 ZINC000775370009 577436070 /nfs/dbraw/zinc/43/60/70/577436070.db2.gz JZEZFUYMKIEHPE-MNOVXSKESA-N 0 3 337.420 2.064 20 10 EECDHN CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000775416288 577436881 /nfs/dbraw/zinc/43/68/81/577436881.db2.gz UHCQOBNYHRGNJH-MRXNPFEDSA-N 0 3 334.441 2.411 20 10 EECDHN CC[C@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1ccccc1[O-] ZINC000775551908 577439405 /nfs/dbraw/zinc/43/94/05/577439405.db2.gz POZWXAPNNUNXCT-INIZCTEOSA-N 0 3 340.489 2.495 20 10 EECDHN COCCN(CCN(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776238472 577455489 /nfs/dbraw/zinc/45/54/89/577455489.db2.gz OEMDVCLOQFUZSQ-OAHLLOKOSA-N 0 3 336.480 2.033 20 10 EECDHN COC[C@H](O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000765791480 577507245 /nfs/dbraw/zinc/50/72/45/577507245.db2.gz PKLWUSBKYVZAPN-OAHLLOKOSA-N 0 3 337.420 2.072 20 10 EECDHN COC(=O)C[C@@H]1CSCCN1Cc1cc(OC)c(C)cc1O ZINC000768448482 577555886 /nfs/dbraw/zinc/55/58/86/577555886.db2.gz VIGXTBKQQBDMET-CYBMUJFWSA-N 0 3 325.430 2.190 20 10 EECDHN COC[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753565999 577790085 /nfs/dbraw/zinc/79/00/85/577790085.db2.gz LSZFYQJXKXCTHA-LJQANCHMSA-N 0 3 331.412 2.458 20 10 EECDHN CN1CCC(NC(=S)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000741872812 578125509 /nfs/dbraw/zinc/12/55/09/578125509.db2.gz BYCSDXSCCAYGAE-UHFFFAOYSA-N 0 3 333.501 2.329 20 10 EECDHN CCC1(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)COC1 ZINC000891243283 676234380 /nfs/dbraw/zinc/23/43/80/676234380.db2.gz KQLZPHXUJAVVCP-QGZVFWFLSA-N 0 3 333.476 2.288 20 10 EECDHN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1C ZINC000891251622 676248107 /nfs/dbraw/zinc/24/81/07/676248107.db2.gz CIIDCFBWVGXJKO-SFHVURJKSA-N 0 3 328.460 2.432 20 10 EECDHN Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c([O-])c1 ZINC000877578062 1199970850 /nfs/dbraw/zinc/97/08/50/1199970850.db2.gz SKBMHEOFPYIOKY-OAHLLOKOSA-N 0 3 336.432 2.426 20 10 EECDHN C[C@@H](NCC(=O)Nc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000878357870 1200418100 /nfs/dbraw/zinc/41/81/00/1200418100.db2.gz HQVJEJJIAKOXFC-OAHLLOKOSA-N 0 3 340.427 2.208 20 10 EECDHN CC[C@@H](C)N1CC[C@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836942 1205180249 /nfs/dbraw/zinc/18/02/49/1205180249.db2.gz PSNGUSMJGUGSDQ-XIKOKIGWSA-N 0 3 334.416 2.026 20 10 EECDHN O=C(NCC(F)(F)F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001275266967 1205294381 /nfs/dbraw/zinc/29/43/81/1205294381.db2.gz HJUYHAACNWYWAC-STQMWFEESA-N 0 3 343.349 2.313 20 10 EECDHN O=C(NCC(F)(F)F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001275266967 1205294382 /nfs/dbraw/zinc/29/43/82/1205294382.db2.gz HJUYHAACNWYWAC-STQMWFEESA-N 0 3 343.349 2.313 20 10 EECDHN CN(C)c1ccncc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406540 1277216846 /nfs/dbraw/zinc/21/68/46/1277216846.db2.gz KVSLVVWTLQGCJB-UHFFFAOYSA-N 0 3 340.471 2.399 20 10 EECDHN C[C@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000390235536 1286295019 /nfs/dbraw/zinc/29/50/19/1286295019.db2.gz AKZLOTYOTAJIEN-ZDUSSCGKSA-N 0 3 333.457 2.251 20 10 EECDHN CN1CC[C@]2(CCCN2Cc2cccc(OC(F)(F)F)c2O)C1=O ZINC001273855966 1286929565 /nfs/dbraw/zinc/92/95/65/1286929565.db2.gz NSNACXCPVHNDIA-OAHLLOKOSA-N 0 3 344.333 2.488 20 10 EECDHN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000858498612 1294134815 /nfs/dbraw/zinc/13/48/15/1294134815.db2.gz SANJMRCYJTUOIA-RBSFLKMASA-N 0 3 326.462 2.293 20 10 EECDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001211362977 1295845904 /nfs/dbraw/zinc/84/59/04/1295845904.db2.gz YUAVJNZXWDEIRK-GOSISDBHSA-N 0 3 331.460 2.014 20 10 EECDHN Cc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c(O)c1O ZINC000794591019 1296438948 /nfs/dbraw/zinc/43/89/48/1296438948.db2.gz FKAKEEBBVYNKEB-HNNXBMFYSA-N 0 3 342.395 2.225 20 10 EECDHN CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3COCCOC)c([O-])c1 ZINC001276805632 1298042778 /nfs/dbraw/zinc/04/27/78/1298042778.db2.gz ZIDWDCGISZQORT-ROUUACIJSA-N 0 3 334.460 2.224 20 10 EECDHN CCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3COCCOC)c([O-])c1 ZINC001276805632 1298042786 /nfs/dbraw/zinc/04/27/86/1298042786.db2.gz ZIDWDCGISZQORT-ROUUACIJSA-N 0 3 334.460 2.224 20 10 EECDHN COc1cc(C)c(CN2CC3(C2)CCN(C(=O)NC(C)C)C3)c(O)c1 ZINC001276807027 1298107431 /nfs/dbraw/zinc/10/74/31/1298107431.db2.gz XSBRMQVHZZHKNM-UHFFFAOYSA-N 0 3 347.459 2.335 20 10 EECDHN COc1ccc(CSC[C@H](N)C(=O)NCc2ccccc2O)cc1 ZINC001219923263 1298183954 /nfs/dbraw/zinc/18/39/54/1298183954.db2.gz FQFZMTLHIWUWGP-INIZCTEOSA-N 0 3 346.452 2.278 20 10 EECDHN COCCOCN1CC2(C1)C[NH+](Cc1cc3ccccc3cc1[O-])C2 ZINC001276812028 1298333346 /nfs/dbraw/zinc/33/33/46/1298333346.db2.gz CWAFYRMKNPNGQZ-UHFFFAOYSA-N 0 3 342.439 2.284 20 10 EECDHN COCCOCN1CC2(C1)CN(Cc1cc3ccccc3cc1O)C2 ZINC001276812028 1298333357 /nfs/dbraw/zinc/33/33/57/1298333357.db2.gz CWAFYRMKNPNGQZ-UHFFFAOYSA-N 0 3 342.439 2.284 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N(C)C)C2)c([O-])c1 ZINC001277456402 1303216310 /nfs/dbraw/zinc/21/63/10/1303216310.db2.gz FMNCEJBIEKLCCD-APWZRJJASA-N 0 3 332.444 2.481 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N(C)C)C2)c([O-])c1 ZINC001277456402 1303216318 /nfs/dbraw/zinc/21/63/18/1303216318.db2.gz FMNCEJBIEKLCCD-APWZRJJASA-N 0 3 332.444 2.481 20 10 EECDHN COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CC=CC2)c([O-])c1 ZINC001277457445 1303227270 /nfs/dbraw/zinc/22/72/70/1303227270.db2.gz NXFSMTDUXQRHHX-SPLQCWDRSA-N 0 3 342.439 2.304 20 10 EECDHN COCCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001277567740 1303920028 /nfs/dbraw/zinc/92/00/28/1303920028.db2.gz POGSYMHPLHDJTL-IZZQQSIFSA-N 0 3 346.471 2.263 20 10 EECDHN COCCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001277567740 1303920029 /nfs/dbraw/zinc/92/00/29/1303920029.db2.gz POGSYMHPLHDJTL-IZZQQSIFSA-N 0 3 346.471 2.263 20 10 EECDHN COCCN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001277567663 1303920536 /nfs/dbraw/zinc/92/05/36/1303920536.db2.gz OOUUYQJEAGLAAL-KRWDZBQOSA-N 0 3 346.471 2.408 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC(C(C)(C)C(N)=O)CC1 ZINC001231853379 1303931075 /nfs/dbraw/zinc/93/10/75/1303931075.db2.gz JISKBTHDJNJBKH-UHFFFAOYSA-N 0 3 333.476 2.485 20 10 EECDHN O=C1NCC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3[O-])CC2)O1 ZINC001233761607 1304581105 /nfs/dbraw/zinc/58/11/05/1304581105.db2.gz WKJPOJJWVWMUEY-UHFFFAOYSA-N 0 3 346.305 2.365 20 10 EECDHN COc1cc([O-])c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(Br)c1 ZINC001236578954 1305599778 /nfs/dbraw/zinc/59/97/78/1305599778.db2.gz KKYFLZCLEDXLQP-NXEZZACHSA-N 0 3 329.238 2.346 20 10 EECDHN COc1cc(C)c(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001236810149 1305685929 /nfs/dbraw/zinc/68/59/29/1305685929.db2.gz VNSCHWACBYPFLY-GASCZTMLSA-N 0 3 340.427 2.067 20 10 EECDHN COc1cc(C)c(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c([O-])c1 ZINC001236810149 1305685937 /nfs/dbraw/zinc/68/59/37/1305685937.db2.gz VNSCHWACBYPFLY-GASCZTMLSA-N 0 3 340.427 2.067 20 10 EECDHN CCOC(=O)CN1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236827102 1305691507 /nfs/dbraw/zinc/69/15/07/1305691507.db2.gz PCKYCPZVRVCJAP-UHFFFAOYSA-N 0 3 328.412 2.226 20 10 EECDHN CC(=O)N[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237061174 1305782181 /nfs/dbraw/zinc/78/21/81/1305782181.db2.gz GTLQPYXIRYAIEC-GFCCVEGCSA-N 0 3 332.322 2.044 20 10 EECDHN CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237061174 1305782186 /nfs/dbraw/zinc/78/21/86/1305782186.db2.gz GTLQPYXIRYAIEC-GFCCVEGCSA-N 0 3 332.322 2.044 20 10 EECDHN CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237061174 1305782195 /nfs/dbraw/zinc/78/21/95/1305782195.db2.gz GTLQPYXIRYAIEC-GFCCVEGCSA-N 0 3 332.322 2.044 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001237490520 1305957935 /nfs/dbraw/zinc/95/79/35/1305957935.db2.gz VNENKNCOALKRPB-LJQANCHMSA-N 0 3 338.411 2.120 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001237490520 1305957941 /nfs/dbraw/zinc/95/79/41/1305957941.db2.gz VNENKNCOALKRPB-LJQANCHMSA-N 0 3 338.411 2.120 20 10 EECDHN C[C@@H](NC(=O)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2)c1ncc[nH]1 ZINC001278254803 1308919426 /nfs/dbraw/zinc/91/94/26/1308919426.db2.gz IPSVNTFDQUNNBP-IPPDQLOFSA-N 0 3 344.390 2.144 20 10 EECDHN COC(=O)Cc1ccc(C[NH+]2CCC(n3ccnc3)CC2)c([O-])c1 ZINC001249208560 1317022720 /nfs/dbraw/zinc/02/27/20/1317022720.db2.gz WFUIOAJDAZVJSV-UHFFFAOYSA-N 0 3 329.400 2.141 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H](O)[C@@](C)(CO)C3)ccc2O1 ZINC001249223450 1317027916 /nfs/dbraw/zinc/02/79/16/1317027916.db2.gz GSGVIYINQLKEMQ-QFBILLFUSA-N 0 3 333.428 2.142 20 10 EECDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H](O)[C@@](C)(CO)C3)ccc2O1 ZINC001249223450 1317027926 /nfs/dbraw/zinc/02/79/26/1317027926.db2.gz GSGVIYINQLKEMQ-QFBILLFUSA-N 0 3 333.428 2.142 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC001249725086 1317160036 /nfs/dbraw/zinc/16/00/36/1317160036.db2.gz NAPQFKLJJVQMJT-GOSISDBHSA-N 0 3 337.416 2.071 20 10 EECDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC001249725086 1317160042 /nfs/dbraw/zinc/16/00/42/1317160042.db2.gz NAPQFKLJJVQMJT-GOSISDBHSA-N 0 3 337.416 2.071 20 10 EECDHN O=C1NCN(c2ccccc2)C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203547794 1321909620 /nfs/dbraw/zinc/90/96/20/1321909620.db2.gz YSSMAMJVHHPLPU-UHFFFAOYSA-N 0 3 337.423 2.321 20 10 EECDHN CCN(CC)c1ccc(CN2CCC[C@@H](NC(=O)CN(C)C)C2)cc1 ZINC001203943878 1321995936 /nfs/dbraw/zinc/99/59/36/1321995936.db2.gz IEGUFWSSOJFEGK-GOSISDBHSA-N 0 3 346.519 2.175 20 10 EECDHN Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2ccc(O)cc2[O-])CC3)cn1 ZINC001204273292 1322098771 /nfs/dbraw/zinc/09/87/71/1322098771.db2.gz MYQIWAUXXYXYEO-OAHLLOKOSA-N 0 3 343.427 2.370 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001204274600 1322100133 /nfs/dbraw/zinc/10/01/33/1322100133.db2.gz QHOZVLQAGPBBCB-BEFAXECRSA-N 0 3 342.395 2.020 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001204274600 1322100138 /nfs/dbraw/zinc/10/01/38/1322100138.db2.gz QHOZVLQAGPBBCB-BEFAXECRSA-N 0 3 342.395 2.020 20 10 EECDHN COc1cc(C)c(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c([O-])c1 ZINC001308872997 1331606800 /nfs/dbraw/zinc/60/68/00/1331606800.db2.gz PZIKHZBHWKAQPV-CQSZACIVSA-N 0 3 333.432 2.089 20 10 EECDHN COc1cccc([O-])c1C[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001347791613 1337521455 /nfs/dbraw/zinc/52/14/55/1337521455.db2.gz HWMYEODQZUPVDX-VIKVFOODSA-N 0 3 334.416 2.356 20 10 EECDHN COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccn1 ZINC001120009426 1371798292 /nfs/dbraw/zinc/79/82/92/1371798292.db2.gz VUSJIIAZLLSFJV-QGZVFWFLSA-N 0 3 342.443 2.189 20 10 EECDHN COC(=O)[C@@]12COC[C@@H]1CN(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140922290 1372710272 /nfs/dbraw/zinc/71/02/72/1372710272.db2.gz NGLFDAKQJXRDEO-GUYCJALGSA-N 0 3 338.835 2.027 20 10 EECDHN OC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(F)(F)F ZINC000809697989 783284878 /nfs/dbraw/zinc/28/48/78/783284878.db2.gz SYBDWKFYAYXISQ-QWRGUYRKSA-N 0 3 333.306 2.114 20 10 EECDHN C[N@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000816617211 784154317 /nfs/dbraw/zinc/15/43/17/784154317.db2.gz RAKWZJRUTJRIFQ-HNNXBMFYSA-N 0 3 334.441 2.011 20 10 EECDHN C[N@@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000816617211 784154320 /nfs/dbraw/zinc/15/43/20/784154320.db2.gz RAKWZJRUTJRIFQ-HNNXBMFYSA-N 0 3 334.441 2.011 20 10 EECDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000819583651 785595081 /nfs/dbraw/zinc/59/50/81/785595081.db2.gz YYPGSHUJYLVXSI-CRAIPNDOSA-N 0 3 333.476 2.224 20 10 EECDHN CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1NCCF ZINC000996693498 787155652 /nfs/dbraw/zinc/15/56/52/787155652.db2.gz YIQXGNTVSMYILM-ZDUSSCGKSA-N 0 3 335.383 2.259 20 10 EECDHN COc1cccc([O-])c1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000824533463 788204381 /nfs/dbraw/zinc/20/43/81/788204381.db2.gz FVOSJCNZTBMUGJ-UHFFFAOYSA-N 0 3 327.446 2.094 20 10 EECDHN O=[N+]([O-])c1cc(CN[C@H](CO)CCF)ccc1N1CCCCC1 ZINC000846097517 790061292 /nfs/dbraw/zinc/06/12/92/790061292.db2.gz QJKSAMUEYYYPOL-AWEZNQCLSA-N 0 3 325.384 2.395 20 10 EECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000808683794 812792702 /nfs/dbraw/zinc/79/27/02/812792702.db2.gz JYBQJRRYVRDIHH-AAEUAGOBSA-N 0 3 346.880 2.429 20 10 EECDHN Cc1cc(C(=O)N[C@@H]2COC3(CNC3)C2)c(C)n1-c1cccc(F)c1 ZINC001548571171 1124344826 /nfs/dbraw/zinc/34/48/26/1124344826.db2.gz PVKUCVRWDOHDLO-HNNXBMFYSA-N 0 3 343.402 2.094 20 10 EECDHN COc1cccc(CN(C)C[C@H](O)COCc2ccccc2)c1O ZINC000092472485 237035695 /nfs/dbraw/zinc/03/56/95/237035695.db2.gz KREWZLOLTCBZGO-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN COc1cccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1[O-] ZINC000092472485 237035704 /nfs/dbraw/zinc/03/57/04/237035704.db2.gz KREWZLOLTCBZGO-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN COc1cccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1[O-] ZINC000092472485 237035716 /nfs/dbraw/zinc/03/57/16/237035716.db2.gz KREWZLOLTCBZGO-KRWDZBQOSA-N 0 3 331.412 2.410 20 10 EECDHN C[C@H]1OCC[C@]12CN(Cc1ccc(N3CCOCC3)cc1)C[C@@H](C)O2 ZINC000366150660 238244884 /nfs/dbraw/zinc/24/48/84/238244884.db2.gz DYHPNVFZGHZQBH-HLIPFELVSA-N 0 3 346.471 2.292 20 10 EECDHN CCOC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000081519946 463452257 /nfs/dbraw/zinc/45/22/57/463452257.db2.gz INJUJVVODOMHHH-QGZVFWFLSA-N 0 3 333.476 2.069 20 10 EECDHN CCOCc1cc(CNCCN2CCOC(C)(C)C2)ccc1OC ZINC000171766511 463923594 /nfs/dbraw/zinc/92/35/94/463923594.db2.gz BTDHMIZKPVYJDF-UHFFFAOYSA-N 0 3 336.476 2.432 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000187399720 464125670 /nfs/dbraw/zinc/12/56/70/464125670.db2.gz UCKPBFGCRDGJML-YGRLFVJLSA-N 0 3 330.222 2.265 20 10 EECDHN CC[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1ccc(C)cc1[O-] ZINC000279935409 464165963 /nfs/dbraw/zinc/16/59/63/464165963.db2.gz AYKQVMMVCRHOEH-HNNXBMFYSA-N 0 3 328.478 2.413 20 10 EECDHN CN(C)c1ccc(CN2CCN(CC3CCOCC3)CC2)cc1F ZINC000271202181 464289240 /nfs/dbraw/zinc/28/92/40/464289240.db2.gz UKIRIDWTGXCKQO-UHFFFAOYSA-N 0 3 335.467 2.436 20 10 EECDHN Cc1cc(Br)cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1[O-] ZINC000281013458 464299226 /nfs/dbraw/zinc/29/92/26/464299226.db2.gz YTIJRUJBDPRHLS-WCQYABFASA-N 0 3 344.249 2.198 20 10 EECDHN CC(C)N1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000271568002 464333950 /nfs/dbraw/zinc/33/39/50/464333950.db2.gz YTOKLEPNHRCSHQ-GOEBONIOSA-N 0 3 349.450 2.322 20 10 EECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c([O-])c1 ZINC000284810894 464349560 /nfs/dbraw/zinc/34/95/60/464349560.db2.gz LHMBCSGMDBRMQC-ZBQZNYHESA-N 0 3 342.443 2.447 20 10 EECDHN COc1cc([O-])c(C[NH2+]C[C@]2(O)CCc3ccccc32)cc1OC ZINC000182653452 464703730 /nfs/dbraw/zinc/70/37/30/464703730.db2.gz LUTTWXIZTLZZIJ-LJQANCHMSA-N 0 3 329.396 2.333 20 10 EECDHN C[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000248338877 464743376 /nfs/dbraw/zinc/74/33/76/464743376.db2.gz HZKKYHHOOIFSMI-GJZGRUSLSA-N 0 3 349.450 2.009 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1OC ZINC000275495630 464777366 /nfs/dbraw/zinc/77/73/66/464777366.db2.gz JFUULHSISZBCCK-GUYCJALGSA-N 0 3 347.415 2.153 20 10 EECDHN COc1cc(Cl)cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000360341269 465558081 /nfs/dbraw/zinc/55/80/81/465558081.db2.gz DQPOFKNLNFOTRN-GJZGRUSLSA-N 0 3 340.851 2.085 20 10 EECDHN COC(=O)C[C@](C)(NCc1cccc(OC)c1O)c1ccncc1 ZINC000191906954 533745908 /nfs/dbraw/zinc/74/59/08/533745908.db2.gz BLVWTNWGPNZVOI-SFHVURJKSA-N 0 3 330.384 2.364 20 10 EECDHN CN(CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000732891547 577196363 /nfs/dbraw/zinc/19/63/63/577196363.db2.gz MMNKUYHPJFXAKW-KRWDZBQOSA-N 0 3 347.459 2.177 20 10 EECDHN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774487298 577400921 /nfs/dbraw/zinc/40/09/21/577400921.db2.gz YXQPXSYGGDPQFZ-ZIAGYGMSSA-N 0 3 334.464 2.274 20 10 EECDHN C[C@@H](NCCn1ccccc1=O)c1ccc(N2CCOCC2)cc1 ZINC000765395330 577500226 /nfs/dbraw/zinc/50/02/26/577500226.db2.gz HAVRIMBFLMDXMS-MRXNPFEDSA-N 0 3 327.428 2.036 20 10 EECDHN CN1CCN(c2ccc(CN[C@H](CCO)c3ccco3)cc2)CC1 ZINC000768946379 577566327 /nfs/dbraw/zinc/56/63/27/577566327.db2.gz NBPKCUUWMTVUKN-GOSISDBHSA-N 0 3 329.444 2.245 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000769107017 577569812 /nfs/dbraw/zinc/56/98/12/577569812.db2.gz JBYLWGZMPKNGPD-OWCLPIDISA-N 0 3 334.460 2.474 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000769107017 577569813 /nfs/dbraw/zinc/56/98/13/577569813.db2.gz JBYLWGZMPKNGPD-OWCLPIDISA-N 0 3 334.460 2.474 20 10 EECDHN COc1cc([O-])c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1OC ZINC000769554500 577580469 /nfs/dbraw/zinc/58/04/69/577580469.db2.gz FAVKFMUEEQTQJM-LLVKDONJSA-N 0 3 340.420 2.412 20 10 EECDHN COC[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753565997 577790108 /nfs/dbraw/zinc/79/01/08/577790108.db2.gz LSZFYQJXKXCTHA-IBGZPJMESA-N 0 3 331.412 2.458 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000756447411 577844407 /nfs/dbraw/zinc/84/44/07/577844407.db2.gz WIVXTDJFJYAOEH-HNNXBMFYSA-N 0 3 348.468 2.471 20 10 EECDHN Cc1ccc(O)c([C@H](C)NCCNS(=O)(=O)Cc2ccccc2)c1 ZINC000756447411 577844408 /nfs/dbraw/zinc/84/44/08/577844408.db2.gz WIVXTDJFJYAOEH-HNNXBMFYSA-N 0 3 348.468 2.471 20 10 EECDHN COC[C@H](CCO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740010483 578077133 /nfs/dbraw/zinc/07/71/33/578077133.db2.gz CUGAEWKYQBWEKZ-HNNXBMFYSA-N 0 3 337.420 2.072 20 10 EECDHN C[C@@H]1C[C@@H](C)N(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000740883375 578108792 /nfs/dbraw/zinc/10/87/92/578108792.db2.gz OAWQVMFADIWIJP-HUUCEWRRSA-N 0 3 349.450 2.009 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@](C)(O)C2CCC2)N(C)C)cc1 ZINC000891249295 676243661 /nfs/dbraw/zinc/24/36/61/676243661.db2.gz QKLNZEYXGVOKPC-IEBWSBKVSA-N 0 3 333.476 2.023 20 10 EECDHN Cc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891251680 676248125 /nfs/dbraw/zinc/24/81/25/676248125.db2.gz DULROHIIZFTDAW-SFHVURJKSA-N 0 3 326.444 2.489 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)CCc2cccnc2)N(C)C)cc1 ZINC000891255786 676253029 /nfs/dbraw/zinc/25/30/29/676253029.db2.gz RYIBWOMNUGKZKF-IBGZPJMESA-N 0 3 340.471 2.499 20 10 EECDHN CN(C)CCN(Cc1ccccn1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181052862 684089064 /nfs/dbraw/zinc/08/90/64/684089064.db2.gz PFPXAFXIICPKEL-VQHVLOKHSA-N 0 3 341.411 2.096 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCCn2cccc2)N(C)C)cc1 ZINC000893512081 692797267 /nfs/dbraw/zinc/79/72/67/692797267.db2.gz IBULSMLIWYSDJY-SFHVURJKSA-N 0 3 343.475 2.156 20 10 EECDHN CCn1nc(C)c(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898449328 693319469 /nfs/dbraw/zinc/31/94/69/693319469.db2.gz BLPOGFHWKYRVQV-SFHVURJKSA-N 0 3 330.480 2.065 20 10 EECDHN C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104964 693607642 /nfs/dbraw/zinc/60/76/42/693607642.db2.gz UCRDSJOIEXFYKP-YJLNNSPDSA-N 0 3 348.491 2.222 20 10 EECDHN O=C1N(CC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272982948 1194291760 /nfs/dbraw/zinc/29/17/60/1194291760.db2.gz NEXWLQRWPCCDLF-OAHLLOKOSA-N 0 3 344.333 2.085 20 10 EECDHN O=C1N(CC(F)(F)F)CC[C@@]12CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001272982948 1194291764 /nfs/dbraw/zinc/29/17/64/1194291764.db2.gz NEXWLQRWPCCDLF-OAHLLOKOSA-N 0 3 344.333 2.085 20 10 EECDHN CC(=O)NC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000877673869 1200022001 /nfs/dbraw/zinc/02/20/01/1200022001.db2.gz JPSVONHKBWPZJB-LJQANCHMSA-N 0 3 331.460 2.014 20 10 EECDHN CC[C@H](N)c1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881379879 1201689294 /nfs/dbraw/zinc/68/92/94/1201689294.db2.gz BQIUYQQYADOWJV-KRWDZBQOSA-N 0 3 329.448 2.351 20 10 EECDHN Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1[O-] ZINC001274399332 1205022921 /nfs/dbraw/zinc/02/29/21/1205022921.db2.gz PPCGFKBSAAQMIY-QGZVFWFLSA-N 0 3 338.835 2.035 20 10 EECDHN Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1[O-] ZINC001274399332 1205022925 /nfs/dbraw/zinc/02/29/25/1205022925.db2.gz PPCGFKBSAAQMIY-QGZVFWFLSA-N 0 3 338.835 2.035 20 10 EECDHN Cc1cc(Cl)cc(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1O ZINC001274399332 1205022929 /nfs/dbraw/zinc/02/29/29/1205022929.db2.gz PPCGFKBSAAQMIY-QGZVFWFLSA-N 0 3 338.835 2.035 20 10 EECDHN COCCOCN1CCC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001275267575 1205294223 /nfs/dbraw/zinc/29/42/23/1205294223.db2.gz RIPZOAFOMUTBQA-UHFFFAOYSA-N 0 3 334.460 2.301 20 10 EECDHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000779020912 1208444081 /nfs/dbraw/zinc/44/40/81/1208444081.db2.gz VQHMFFBMEMGILF-CZUORRHYSA-N 0 3 341.459 2.271 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1[O-] ZINC000779052224 1208480305 /nfs/dbraw/zinc/48/03/05/1208480305.db2.gz ONATXZJBYYSVNJ-XHDPSFHLSA-N 0 3 343.265 2.180 20 10 EECDHN CC(C)[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nncn1C ZINC000796455797 1218278559 /nfs/dbraw/zinc/27/85/59/1218278559.db2.gz YNXOYLIMMYSYHP-SFHVURJKSA-N 0 3 342.491 2.054 20 10 EECDHN O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(O)c(O)cc2O)N1C1CCCC1 ZINC001273842206 1286682609 /nfs/dbraw/zinc/68/26/09/1286682609.db2.gz AZRDXIOTYZZJKC-HUUCEWRRSA-N 0 3 346.427 2.311 20 10 EECDHN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCN1CC(C)(C)O ZINC000862336267 1295798019 /nfs/dbraw/zinc/79/80/19/1295798019.db2.gz FHRXZSMVFBOOAA-CYBMUJFWSA-N 0 3 341.446 2.308 20 10 EECDHN COc1ccc(N2CCC[C@]3(CCN(CC(=O)N(C)C)C3)C2)cc1 ZINC001276924015 1300285880 /nfs/dbraw/zinc/28/58/80/1300285880.db2.gz BZABGXCEHAYTIM-LJQANCHMSA-N 0 3 331.460 2.076 20 10 EECDHN Cc1noc(NC(=O)[C@@H]2CC23CN(Cc2ccccc2O)C3)c1C ZINC001277441596 1303031290 /nfs/dbraw/zinc/03/12/90/1303031290.db2.gz ORTOSIISAHRGDE-AWEZNQCLSA-N 0 3 327.384 2.458 20 10 EECDHN COc1ccc(Br)c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c1[O-] ZINC001231547929 1303840124 /nfs/dbraw/zinc/84/01/24/1303840124.db2.gz MMEBRNIHFHKJPT-UWVGGRQHSA-N 0 3 330.222 2.366 20 10 EECDHN COc1ccc(Br)c(C[N@H+]2C[C@@H](C)C[C@H]2CO)c1[O-] ZINC001231547929 1303840127 /nfs/dbraw/zinc/84/01/27/1303840127.db2.gz MMEBRNIHFHKJPT-UWVGGRQHSA-N 0 3 330.222 2.366 20 10 EECDHN Cc1ccc(CN2CC3(C2)SCC[C@@H]3C(=O)N2CC=CC2)c(O)c1 ZINC001277569251 1303923293 /nfs/dbraw/zinc/92/32/93/1303923293.db2.gz YRKZIICGTNOPPV-MRXNPFEDSA-N 0 3 344.480 2.407 20 10 EECDHN CN(C)C(=O)[C@@H]1CCCN1Cc1cccc(OC(F)(F)F)c1O ZINC001233768468 1304585780 /nfs/dbraw/zinc/58/57/80/1304585780.db2.gz RRNCWPGPTSUKRU-NSHDSACASA-N 0 3 332.322 2.343 20 10 EECDHN CO[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@H]1OC ZINC001237053207 1305780123 /nfs/dbraw/zinc/78/01/23/1305780123.db2.gz IAHPBXQQYRMIAW-OKILXGFUSA-N 0 3 335.322 2.179 20 10 EECDHN CO[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@@H]1OC ZINC001237053207 1305780130 /nfs/dbraw/zinc/78/01/30/1305780130.db2.gz IAHPBXQQYRMIAW-OKILXGFUSA-N 0 3 335.322 2.179 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3ccccn3)C2)c(O)c(OC)c1 ZINC001237681094 1306042625 /nfs/dbraw/zinc/04/26/25/1306042625.db2.gz OUNHTAOGXQYDQC-AWEZNQCLSA-N 0 3 330.384 2.458 20 10 EECDHN CN(C)c1cc(F)c(CN[C@H]2CCN(c3cnn(C)c3)C2)cc1F ZINC001118798830 1308942894 /nfs/dbraw/zinc/94/28/94/1308942894.db2.gz HXJDDYBVJRLHDT-ZDUSSCGKSA-N 0 3 335.402 2.133 20 10 EECDHN Cc1ccc(C[NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)c([O-])c1 ZINC001140950524 1314994911 /nfs/dbraw/zinc/99/49/11/1314994911.db2.gz WZVCDGWXTHKGQE-UHFFFAOYSA-N 0 3 344.455 2.304 20 10 EECDHN COc1cc([O-])c(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c(OC)c1 ZINC001141027180 1315019545 /nfs/dbraw/zinc/01/95/45/1315019545.db2.gz PWOXQPZAHMNQKP-HNNXBMFYSA-N 0 3 348.443 2.100 20 10 EECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841006039 1315453026 /nfs/dbraw/zinc/45/30/26/1315453026.db2.gz GVUGLMACSUHTLQ-QWHCGFSZSA-N 0 3 340.851 2.409 20 10 EECDHN Nc1nccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])n1 ZINC001160624898 1320215694 /nfs/dbraw/zinc/21/56/94/1320215694.db2.gz VWPQTAZTILAVSG-IAGOWNOFSA-N 0 3 337.383 2.323 20 10 EECDHN O=C(NC1CCC1)[C@H]1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203878493 1321981139 /nfs/dbraw/zinc/98/11/39/1321981139.db2.gz HKJUAFUZHJGRMA-QKDCVEJESA-N 0 3 330.428 2.225 20 10 EECDHN CCOC(=O)c1cnc2n1CCN(Cc1ccc(N(C)C)cc1)CC2 ZINC001203937825 1321995137 /nfs/dbraw/zinc/99/51/37/1321995137.db2.gz UHZICBGMMVJNKG-UHFFFAOYSA-N 0 3 342.443 2.184 20 10 EECDHN COc1cc([O-])c(CN2[C@@H](C)CC[C@H]2C[NH3+])c(Br)c1 ZINC001205082287 1322279232 /nfs/dbraw/zinc/27/92/32/1322279232.db2.gz FKEVJUKPLJRPFN-UWVGGRQHSA-N 0 3 329.238 2.475 20 10 EECDHN COc1ccc(CNCC(=O)N(C)C2CCCCC2)c(O)c1OC ZINC001334185216 1336218554 /nfs/dbraw/zinc/21/85/54/1336218554.db2.gz ATMRJIKSGASOLY-UHFFFAOYSA-N 0 3 336.432 2.290 20 10 EECDHN CC(C)NS(=O)(=O)Cc1ccccc1CNCc1ccc(N)cc1 ZINC001337838981 1336743176 /nfs/dbraw/zinc/74/31/76/1336743176.db2.gz XVQHDZGXQMSLFF-UHFFFAOYSA-N 0 3 347.484 2.386 20 10 EECDHN CC[C@H](C)C[C@@H](N)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341882450 1337304431 /nfs/dbraw/zinc/30/44/31/1337304431.db2.gz OGZULVIMQMLFAJ-RLFYNMQTSA-N 0 3 333.476 2.401 20 10 EECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(s1)CNCC2 ZINC001576051727 1343955766 /nfs/dbraw/zinc/95/57/66/1343955766.db2.gz CSMZGAAQWNSMTJ-SNVBAGLBSA-N 0 3 332.425 2.166 20 10 EECDHN CCN(CC)c1ccc(CN2CCC(C(=O)NC)CC2)c(OC)c1 ZINC001138387744 1372389052 /nfs/dbraw/zinc/38/90/52/1372389052.db2.gz JVKNTFMJDNCKIY-UHFFFAOYSA-N 0 3 333.476 2.499 20 10 EECDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cnccc1N ZINC000817889776 785024300 /nfs/dbraw/zinc/02/43/00/785024300.db2.gz VODLYURWDUKBNM-ZDUSSCGKSA-N 0 3 330.407 2.321 20 10 EECDHN COc1cc(Br)cc(CNCc2cc(C)nn2C)c1O ZINC000790603285 808827552 /nfs/dbraw/zinc/82/75/52/808827552.db2.gz YRFDZUARULGETC-UHFFFAOYSA-N 0 3 340.221 2.495 20 10 EECDHN CN1CCN(c2ncccc2C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113329315 529778578 /nfs/dbraw/zinc/77/85/78/529778578.db2.gz LYVGXQBXUYGGKZ-UHFFFAOYSA-N 0 3 346.862 2.482 20 10 EECDHN c1cc(CNCc2ccc3c(c2)CCO3)cc(N2CCOCC2)n1 ZINC000054174518 132190207 /nfs/dbraw/zinc/19/02/07/132190207.db2.gz KNPIKOKSUAHMJT-UHFFFAOYSA-N 0 3 325.412 2.143 20 10 EECDHN COCCN(C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000263805324 464197412 /nfs/dbraw/zinc/19/74/12/464197412.db2.gz XJTYKFPHEQVGPZ-UHFFFAOYSA-N 0 3 348.491 2.005 20 10 EECDHN COc1ccc(N2CCCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC000130941474 462783893 /nfs/dbraw/zinc/78/38/93/462783893.db2.gz REFLMFHVFHKIHU-SFHVURJKSA-N 0 3 333.476 2.320 20 10 EECDHN CC[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000155507368 462901171 /nfs/dbraw/zinc/90/11/71/462901171.db2.gz FQPDLGDKXWDTKN-OAHLLOKOSA-N 0 3 326.462 2.105 20 10 EECDHN CN(C)c1ccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1F ZINC000077458410 462988790 /nfs/dbraw/zinc/98/87/90/462988790.db2.gz RNWJBRBDXHALDU-ZIAGYGMSSA-N 0 3 328.453 2.337 20 10 EECDHN CC(C)N1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000069609826 463286476 /nfs/dbraw/zinc/28/64/76/463286476.db2.gz WHFVKSCXXFOSFX-UHFFFAOYSA-N 0 3 346.519 2.127 20 10 EECDHN CC[C@@H](N[C@H](CC)c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC000165109975 463638921 /nfs/dbraw/zinc/63/89/21/463638921.db2.gz PIZQXQYDZKECKR-QZTJIDSGSA-N 0 3 333.476 2.431 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000177987744 463824541 /nfs/dbraw/zinc/82/45/41/463824541.db2.gz WFNZDMFAFQBGMY-MJGOQNOKSA-N 0 3 345.487 2.212 20 10 EECDHN Cc1cc(N2CC[C@H](N[C@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186083150 463933301 /nfs/dbraw/zinc/93/33/01/463933301.db2.gz DVKSLANDCIUGJG-HIFRSBDPSA-N 0 3 328.416 2.199 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000186100496 463937234 /nfs/dbraw/zinc/93/72/34/463937234.db2.gz YTULFIXDRIJDMR-ZDUSSCGKSA-N 0 3 338.473 2.308 20 10 EECDHN O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(C2CC2)CC1 ZINC000278477268 463966193 /nfs/dbraw/zinc/96/61/93/463966193.db2.gz RKYDLIOOQZIFJJ-UHFFFAOYSA-N 0 3 343.471 2.014 20 10 EECDHN CCN1CCN(c2ccc(CNCc3n[nH]cc3C)cc2F)CC1 ZINC000289478977 464080467 /nfs/dbraw/zinc/08/04/67/464080467.db2.gz JVBJFKAINRFSGT-UHFFFAOYSA-N 0 3 331.439 2.289 20 10 EECDHN CCN1CCN(c2ccc(CNCc3[nH]ncc3C)cc2F)CC1 ZINC000289478977 464080476 /nfs/dbraw/zinc/08/04/76/464080476.db2.gz JVBJFKAINRFSGT-UHFFFAOYSA-N 0 3 331.439 2.289 20 10 EECDHN CN(C)c1ccc(CN[C@@]2(CCO)CCOC2)c(C(F)(F)F)c1 ZINC000280106205 464189433 /nfs/dbraw/zinc/18/94/33/464189433.db2.gz BBUDDDQOKPNILO-HNNXBMFYSA-N 0 3 332.366 2.403 20 10 EECDHN COc1cc(O)c(CN[C@@H](CC(N)=O)c2ccccc2)cc1OC ZINC000293731307 464419251 /nfs/dbraw/zinc/41/92/51/464419251.db2.gz UVHGCNRZXWRYPK-AWEZNQCLSA-N 0 3 330.384 2.116 20 10 EECDHN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1[O-] ZINC000189169453 464449662 /nfs/dbraw/zinc/44/96/62/464449662.db2.gz NMHHYGAMPLOLIW-ZDUSSCGKSA-N 0 3 335.425 2.009 20 10 EECDHN Cc1cc([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1C ZINC000285488690 464582920 /nfs/dbraw/zinc/58/29/20/464582920.db2.gz LXBYDUZXIZNNRI-AYHJJNSGSA-N 0 3 345.487 2.182 20 10 EECDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)[C@H]2C1 ZINC000272418990 464602299 /nfs/dbraw/zinc/60/22/99/464602299.db2.gz HEJTYFLOOJOIAU-LPHOPBHVSA-N 0 3 342.487 2.305 20 10 EECDHN Oc1cc(OCc2ccccc2)ccc1CN1CCOC[C@@H](O)C1 ZINC000294870158 464632838 /nfs/dbraw/zinc/63/28/38/464632838.db2.gz UQBDPEQKZSMIRD-KRWDZBQOSA-N 0 3 329.396 2.164 20 10 EECDHN CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]Cc2ccccc2[O-])CC1 ZINC000272890773 464693765 /nfs/dbraw/zinc/69/37/65/464693765.db2.gz SLSQATSMKYCMJK-AWEZNQCLSA-N 0 3 348.443 2.062 20 10 EECDHN CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000109769718 527020747 /nfs/dbraw/zinc/02/07/47/527020747.db2.gz FBFDOMQPOKJURD-KRWDZBQOSA-N 0 3 344.411 2.222 20 10 EECDHN CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000109769718 527020749 /nfs/dbraw/zinc/02/07/49/527020749.db2.gz FBFDOMQPOKJURD-KRWDZBQOSA-N 0 3 344.411 2.222 20 10 EECDHN CC[C@@H]1CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000727832998 576453052 /nfs/dbraw/zinc/45/30/52/576453052.db2.gz HXMWFRHMCLRYTN-MRXNPFEDSA-N 0 3 349.450 2.153 20 10 EECDHN COCCOC[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773022015 577311007 /nfs/dbraw/zinc/31/10/07/577311007.db2.gz AJUSRPZFUODIGV-GJZGRUSLSA-N 0 3 340.439 2.364 20 10 EECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)c1 ZINC000775371508 577436025 /nfs/dbraw/zinc/43/60/25/577436025.db2.gz ZDDPBZGQIBSOMF-GFCCVEGCSA-N 0 3 327.446 2.266 20 10 EECDHN CCN(CC)c1ccc(CN[C@H]2CCOC[C@@H]2OCCOC)cc1 ZINC000776812594 577468437 /nfs/dbraw/zinc/46/84/37/577468437.db2.gz LJVZIYIGBPPVBA-OALUTQOASA-N 0 3 336.476 2.443 20 10 EECDHN C[C@@H](NCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000764926366 577491056 /nfs/dbraw/zinc/49/10/56/577491056.db2.gz SYRHDOSIMBZBHL-MRXNPFEDSA-N 0 3 331.460 2.186 20 10 EECDHN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccncc1 ZINC000768401673 577555066 /nfs/dbraw/zinc/55/50/66/577555066.db2.gz GHBNWCPCLRBVSG-OAHLLOKOSA-N 0 3 345.468 2.167 20 10 EECDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C4CC4)C3)CC2)cc1 ZINC000764487692 577737349 /nfs/dbraw/zinc/73/73/49/577737349.db2.gz QVRARXWHJVVJCU-QGZVFWFLSA-N 0 3 343.471 2.076 20 10 EECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c2c1c(F)ccc2[O-] ZINC000756489661 577844980 /nfs/dbraw/zinc/84/49/80/577844980.db2.gz QRYVXGKENBDNGN-NTZNESFSSA-N 0 3 342.436 2.093 20 10 EECDHN C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)CC2CC2)c2c1c(F)ccc2[O-] ZINC000756758081 577849827 /nfs/dbraw/zinc/84/98/27/577849827.db2.gz GVIHMOZHZQBGJH-GWCFXTLKSA-N 0 3 327.421 2.494 20 10 EECDHN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000741089750 578112818 /nfs/dbraw/zinc/11/28/18/578112818.db2.gz UMMDAYRFASKNSR-MRXNPFEDSA-N 0 3 326.444 2.099 20 10 EECDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000891252874 676249131 /nfs/dbraw/zinc/24/91/31/676249131.db2.gz OHRDYUSJEGEPOO-KBXCAEBGSA-N 0 3 343.475 2.009 20 10 EECDHN CCO[C@H]1C[C@](N)(C(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000326085653 676540356 /nfs/dbraw/zinc/54/03/56/676540356.db2.gz YREDVHRBKMBHIK-LPHOPBHVSA-N 0 3 333.476 2.244 20 10 EECDHN CN(C)CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(=O)[O-] ZINC000904023832 694265985 /nfs/dbraw/zinc/26/59/85/694265985.db2.gz KOLNVDAQOGBUTK-AWEZNQCLSA-N 0 3 347.381 2.266 20 10 EECDHN COCCCN1CC[C@@]2(CCCN2Cc2ccc(N(C)C)cc2)C1=O ZINC001272917626 1193603803 /nfs/dbraw/zinc/60/38/03/1193603803.db2.gz YDQMQARXEWXAHD-FQEVSTJZSA-N 0 3 345.487 2.356 20 10 EECDHN CCn1ccnc1CN1CCC2(C[NH+](Cc3ccccc3[O-])C2)C1 ZINC001275267534 1205294364 /nfs/dbraw/zinc/29/43/64/1205294364.db2.gz QRGSASWOXHVBNZ-UHFFFAOYSA-N 0 3 326.444 2.317 20 10 EECDHN COCCOCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)c(C)c1 ZINC001275361057 1205320575 /nfs/dbraw/zinc/32/05/75/1205320575.db2.gz MNFSJGQRYBNYPH-KDURUIRLSA-N 0 3 347.503 2.330 20 10 EECDHN Cc1ccc(C[N@H+]2CCC[C@]3(CCN(CC(=O)N(C)C)C3)C2)c([O-])c1 ZINC001276169001 1205811302 /nfs/dbraw/zinc/81/13/02/1205811302.db2.gz MKOMEARNWYJPBY-FQEVSTJZSA-N 0 3 345.487 2.077 20 10 EECDHN Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC(=O)N(C)C)C3)C2)c([O-])c1 ZINC001276169001 1205811304 /nfs/dbraw/zinc/81/13/04/1205811304.db2.gz MKOMEARNWYJPBY-FQEVSTJZSA-N 0 3 345.487 2.077 20 10 EECDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3ncc[nH]3)CC2)cc1 ZINC000285724113 1229660533 /nfs/dbraw/zinc/66/05/33/1229660533.db2.gz QJCQVGUPBFDZRF-INIZCTEOSA-N 0 3 343.475 2.281 20 10 EECDHN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2c[nH]cn2)cc1 ZINC000900439255 1234355050 /nfs/dbraw/zinc/35/50/50/1234355050.db2.gz BNACIISPWFJUSE-SFHVURJKSA-N 0 3 342.443 2.226 20 10 EECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(N(C)C)ccn2)c1 ZINC000903198177 1239993339 /nfs/dbraw/zinc/99/33/39/1239993339.db2.gz GQRHLDOZKPFELL-GFCCVEGCSA-N 0 3 329.400 2.491 20 10 EECDHN C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000903234570 1240063270 /nfs/dbraw/zinc/06/32/70/1240063270.db2.gz OEVFBRCLEMCMFB-YDHLFZDLSA-N 0 3 326.462 2.151 20 10 EECDHN Cc1cccc(CN2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1O ZINC001273770187 1285294535 /nfs/dbraw/zinc/29/45/35/1285294535.db2.gz QBZLZUJHINIRCN-LJQANCHMSA-N 0 3 341.411 2.456 20 10 EECDHN Cc1cc(O[C@@H]2C=CC[NH2+]C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218333155 1297633255 /nfs/dbraw/zinc/63/32/55/1297633255.db2.gz FUVNKUIJLZVMII-GFCCVEGCSA-N 0 3 335.359 2.383 20 10 EECDHN CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1[O-] ZINC001276856749 1299954163 /nfs/dbraw/zinc/95/41/63/1299954163.db2.gz HEACSOPSRHMLBQ-GOOCMWNKSA-N 0 3 339.430 2.317 20 10 EECDHN O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)cc1[O-])N1CC=CC1 ZINC001277196848 1301768342 /nfs/dbraw/zinc/76/83/42/1301768342.db2.gz QFHUMIPVEFROAD-XLQHLMKVSA-N 0 3 328.412 2.001 20 10 EECDHN Cc1cccc(CN2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001231590794 1303857807 /nfs/dbraw/zinc/85/78/07/1303857807.db2.gz HZVAWBUEGDGDLQ-GJZGRUSLSA-N 0 3 336.432 2.161 20 10 EECDHN C[C@H]1CN(Cc2ccc(I)cc2[O-])[C@@H](C)C[NH2+]1 ZINC001236078318 1305494404 /nfs/dbraw/zinc/49/44/04/1305494404.db2.gz CSGPCRCVOODHPZ-UWVGGRQHSA-N 0 3 346.212 2.179 20 10 EECDHN COc1cc([O-])c(CN2C[C@H](C)[NH2+]C[C@@H]2C)cc1Br ZINC001236079354 1305494652 /nfs/dbraw/zinc/49/46/52/1305494652.db2.gz QUQYZQSDXCZMTQ-UWVGGRQHSA-N 0 3 329.238 2.346 20 10 EECDHN Cc1cccc([O-])c1C[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001237488251 1305955926 /nfs/dbraw/zinc/95/59/26/1305955926.db2.gz KRYFJTWSHKRIQD-QGZVFWFLSA-N 0 3 344.455 2.162 20 10 EECDHN COc1cc(CN2CC[C@H](Oc3ncncc3C)C2)c(O)c(OC)c1 ZINC001237683402 1306044918 /nfs/dbraw/zinc/04/49/18/1306044918.db2.gz HJSLCXHCHUCWRZ-AWEZNQCLSA-N 0 3 345.399 2.161 20 10 EECDHN [O-]c1ccc(F)cc1C[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001140054170 1314806004 /nfs/dbraw/zinc/80/60/04/1314806004.db2.gz KLUZRKJSNWFIHC-UHFFFAOYSA-N 0 3 341.390 2.031 20 10 EECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001140054170 1314806009 /nfs/dbraw/zinc/80/60/09/1314806009.db2.gz KLUZRKJSNWFIHC-UHFFFAOYSA-N 0 3 341.390 2.031 20 10 EECDHN C[C@H]1NCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H]1C ZINC000841850414 1315623314 /nfs/dbraw/zinc/62/33/14/1315623314.db2.gz SKWJQAGAIFQVIH-VXGBXAGGSA-N 0 3 330.457 2.139 20 10 EECDHN CCn1nncc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000841863369 1315626601 /nfs/dbraw/zinc/62/66/01/1315626601.db2.gz LNRKPBNSMZQCTR-OAHLLOKOSA-N 0 3 349.866 2.411 20 10 EECDHN CC1(C)C=Cc2c(ccc(C[N@@H+]3CC[C@]4(CCNC4=O)C3)c2[O-])O1 ZINC001249230420 1317030131 /nfs/dbraw/zinc/03/01/31/1317030131.db2.gz GSSIKYVZWQBJPH-LJQANCHMSA-N 0 3 328.412 2.288 20 10 EECDHN CC1(C)C=Cc2c(ccc(C[N@H+]3CC[C@]4(CCNC4=O)C3)c2[O-])O1 ZINC001249230420 1317030139 /nfs/dbraw/zinc/03/01/39/1317030139.db2.gz GSSIKYVZWQBJPH-LJQANCHMSA-N 0 3 328.412 2.288 20 10 EECDHN COc1ccc2c(c1)c1c(n2C)CCN(c2ncc3c(n2)CCNC3)C1 ZINC001166815777 1321793502 /nfs/dbraw/zinc/79/35/02/1321793502.db2.gz IDUDWABGSHJWIE-UHFFFAOYSA-N 0 3 349.438 2.185 20 10 EECDHN COc1ccc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)c([O-])c1 ZINC001203634554 1321929220 /nfs/dbraw/zinc/92/92/20/1321929220.db2.gz LRSMARSNLWRMSZ-UHFFFAOYSA-N 0 3 341.411 2.190 20 10 EECDHN COc1cc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc(O)c1O ZINC001204348138 1322123408 /nfs/dbraw/zinc/12/34/08/1322123408.db2.gz IKCUDRXGEMGDEP-IBGZPJMESA-N 0 3 340.379 2.202 20 10 EECDHN [NH3+][C@@H]1CCCCN(Cc2ccc(I)cc2[O-])C1 ZINC001205939993 1323349083 /nfs/dbraw/zinc/34/90/83/1323349083.db2.gz YCIHJKRICSEKJZ-GFCCVEGCSA-N 0 3 346.212 2.310 20 10 EECDHN CN(C)CCn1nccc1NC(=O)c1ccc(C2=S=CC=C2)s1 ZINC001325073891 1333823931 /nfs/dbraw/zinc/82/39/31/1333823931.db2.gz SWHAYZVQBQSWCA-UHFFFAOYSA-N 0 3 346.481 2.384 20 10 EECDHN Cc1nccnc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001345501568 1337448495 /nfs/dbraw/zinc/44/84/95/1337448495.db2.gz XLRBZMRBNAMMSK-INIZCTEOSA-N 0 3 342.447 2.275 20 10 EECDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc3cccnc3c2O)C1(C)C ZINC001578090252 1344233628 /nfs/dbraw/zinc/23/36/28/1344233628.db2.gz GKGDKFGFGNBMGW-LIRRHRJNSA-N 0 3 343.427 2.089 20 10 EECDHN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000691461519 1371205714 /nfs/dbraw/zinc/20/57/14/1371205714.db2.gz IQJFRDZNCKVRHY-KBPBESRZSA-N 0 3 341.249 2.108 20 10 EECDHN CN(C)c1ccc([C@H](N)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC000832293191 1372424093 /nfs/dbraw/zinc/42/40/93/1372424093.db2.gz RDNCVLAFYQSQAI-IXEWLPCDSA-N 0 3 343.471 2.264 20 10 EECDHN COC(=O)CCn1nc(C)c(CN2CCc3cccc(O)c3C2)c1C ZINC001139787245 1372528907 /nfs/dbraw/zinc/52/89/07/1372528907.db2.gz DDAJWIHXCREZLN-UHFFFAOYSA-N 0 3 343.427 2.327 20 10 EECDHN C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(F)ccc1[O-] ZINC000840781841 782982304 /nfs/dbraw/zinc/98/23/04/782982304.db2.gz XJWDOPYQIQFOLY-AWEZNQCLSA-N 0 3 338.423 2.063 20 10 EECDHN [O-]c1cc(F)c(Cl)cc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000816481733 784043068 /nfs/dbraw/zinc/04/30/68/784043068.db2.gz HAHYJBLPCIWDKF-ZDUSSCGKSA-N 0 3 328.815 2.481 20 10 EECDHN [O-]c1cc(F)c(Cl)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000816481733 784043077 /nfs/dbraw/zinc/04/30/77/784043077.db2.gz HAHYJBLPCIWDKF-ZDUSSCGKSA-N 0 3 328.815 2.481 20 10 EECDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000818012825 785171964 /nfs/dbraw/zinc/17/19/64/785171964.db2.gz XZPPWWUSKSJVFM-MRXNPFEDSA-N 0 3 347.846 2.466 20 10 EECDHN [NH3+]CCN(C(=O)c1cccc(O)c1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001148224758 792260211 /nfs/dbraw/zinc/26/02/11/792260211.db2.gz USXSZTSLLDANLY-UHFFFAOYSA-N 0 3 330.428 2.468 20 10 EECDHN CN1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000916625393 797674057 /nfs/dbraw/zinc/67/40/57/797674057.db2.gz HXVSWJKMRYJAJN-UHFFFAOYSA-N 0 3 348.516 2.087 20 10 EECDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000808173584 812518629 /nfs/dbraw/zinc/51/86/29/812518629.db2.gz BYNCPSAFWJEWED-OAHLLOKOSA-N 0 3 349.862 2.400 20 10 EECDHN COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccccc2[O-])cc1OC ZINC000873192146 1126120135 /nfs/dbraw/zinc/12/01/35/1126120135.db2.gz ZNZHBAZHJOYZNL-LJQANCHMSA-N 0 3 331.412 2.493 20 10 EECDHN CCOc1ccc(O)c(CN2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000369642408 238250410 /nfs/dbraw/zinc/25/04/10/238250410.db2.gz WGRVJEZBUGONEC-HNNXBMFYSA-N 0 3 334.460 2.476 20 10 EECDHN CO[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H]1OC ZINC000296098092 465080291 /nfs/dbraw/zinc/08/02/91/465080291.db2.gz UJIRGPURKMHSRV-KDURUIRLSA-N 0 3 334.460 2.147 20 10 EECDHN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185006938 463734727 /nfs/dbraw/zinc/73/47/27/463734727.db2.gz ZEQRLLQQPMDCLX-AWEZNQCLSA-N 0 3 349.475 2.042 20 10 EECDHN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178498431 463911145 /nfs/dbraw/zinc/91/11/45/463911145.db2.gz JZJWOTYSMLVGEX-GJZGRUSLSA-N 0 3 349.450 2.324 20 10 EECDHN Cc1ccc(O)c(CNCc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000172114121 463991958 /nfs/dbraw/zinc/99/19/58/463991958.db2.gz MVXSKFANHHGBOJ-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000172114121 463991962 /nfs/dbraw/zinc/99/19/62/463991962.db2.gz MVXSKFANHHGBOJ-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc(C)c2[O-])cc1O ZINC000289388342 464077135 /nfs/dbraw/zinc/07/71/35/464077135.db2.gz DKYZDVNFVMECIL-OAHLLOKOSA-N 0 3 331.412 2.356 20 10 EECDHN C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc2c(cc1[O-])CCCC2 ZINC000289986476 464103616 /nfs/dbraw/zinc/10/36/16/464103616.db2.gz YDEZXRLCKMPHEO-ZDUSSCGKSA-N 0 3 330.432 2.096 20 10 EECDHN CCOc1cccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000269898859 464124054 /nfs/dbraw/zinc/12/40/54/464124054.db2.gz FESZZQPMSRTUJC-DLBZAZTESA-N 0 3 331.412 2.365 20 10 EECDHN CCN(CC)C(=O)CN1CCCN(Cc2cccc(C)c2O)CC1 ZINC000179676034 464171628 /nfs/dbraw/zinc/17/16/28/464171628.db2.gz ROUORWPKNLDTKT-UHFFFAOYSA-N 0 3 333.476 2.077 20 10 EECDHN CCN(CC)C(=O)CN1CCC[N@H+](Cc2cccc(C)c2[O-])CC1 ZINC000179676034 464171633 /nfs/dbraw/zinc/17/16/33/464171633.db2.gz ROUORWPKNLDTKT-UHFFFAOYSA-N 0 3 333.476 2.077 20 10 EECDHN CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cccc(C)c2[O-])CC1 ZINC000179676034 464171638 /nfs/dbraw/zinc/17/16/38/464171638.db2.gz ROUORWPKNLDTKT-UHFFFAOYSA-N 0 3 333.476 2.077 20 10 EECDHN CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000188046479 464187835 /nfs/dbraw/zinc/18/78/35/464187835.db2.gz DWHUKZPIVHGPTA-SNVBAGLBSA-N 0 3 329.238 2.420 20 10 EECDHN O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000188411004 464273720 /nfs/dbraw/zinc/27/37/20/464273720.db2.gz UIFSWMZJTXGDRK-INIZCTEOSA-N 0 3 340.423 2.392 20 10 EECDHN O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000188411004 464273725 /nfs/dbraw/zinc/27/37/25/464273725.db2.gz UIFSWMZJTXGDRK-INIZCTEOSA-N 0 3 340.423 2.392 20 10 EECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000273601769 464722052 /nfs/dbraw/zinc/72/20/52/464722052.db2.gz SBUYLJBXMFTERG-RDJZCZTQSA-N 0 3 333.476 2.294 20 10 EECDHN CN(C)c1ccc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000275145150 464764494 /nfs/dbraw/zinc/76/44/94/464764494.db2.gz PVQICKNCHWAVRC-LBPRGKRZSA-N 0 3 347.356 2.392 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000275381727 464773625 /nfs/dbraw/zinc/77/36/25/464773625.db2.gz XSAODOSAUODWOS-MWLCHTKSSA-N 0 3 327.222 2.344 20 10 EECDHN COC(=O)c1cnc(SCCCN2CCN(C(C)C)CC2)s1 ZINC000295294444 464778496 /nfs/dbraw/zinc/77/84/96/464778496.db2.gz LUVVMWFICUUREW-UHFFFAOYSA-N 0 3 343.518 2.438 20 10 EECDHN C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000176986604 464899086 /nfs/dbraw/zinc/89/90/86/464899086.db2.gz JXQCJCLEKQKRRL-NSHDSACASA-N 0 3 338.404 2.072 20 10 EECDHN Cc1cccc(CNCCS(=O)(=O)CCc2ccccc2)c1O ZINC000282883763 464988277 /nfs/dbraw/zinc/98/82/77/464988277.db2.gz YSBYTMGUIHNDHS-UHFFFAOYSA-N 0 3 333.453 2.448 20 10 EECDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000295863594 464990098 /nfs/dbraw/zinc/99/00/98/464990098.db2.gz BRUULQVSQLMYGL-WFASDCNBSA-N 0 3 340.489 2.249 20 10 EECDHN CN(CCNC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000177407649 465008290 /nfs/dbraw/zinc/00/82/90/465008290.db2.gz MDYIHCWAMPBDND-UHFFFAOYSA-N 0 3 349.475 2.480 20 10 EECDHN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000370071210 466765715 /nfs/dbraw/zinc/76/57/15/466765715.db2.gz GIHFSHKDQWPRCK-KGLIPLIRSA-N 0 3 325.412 2.421 20 10 EECDHN [O-]c1ccccc1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000377786410 467140129 /nfs/dbraw/zinc/14/01/29/467140129.db2.gz UVZPCWWLHYZTJD-OALUTQOASA-N 0 3 326.440 2.365 20 10 EECDHN Cc1ccc([O-])c(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 ZINC000092759643 534193199 /nfs/dbraw/zinc/19/31/99/534193199.db2.gz MKDOELUKOAEUFM-UHFFFAOYSA-N 0 3 342.443 2.076 20 10 EECDHN CN(C)c1ccc(CN(CCN2C(=O)NC(C)(C)C2=O)C2CC2)cc1 ZINC000298694759 522173298 /nfs/dbraw/zinc/17/32/98/522173298.db2.gz FSDHCAXERBNIMT-UHFFFAOYSA-N 0 3 344.459 2.047 20 10 EECDHN Cn1cccc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000738425318 578014307 /nfs/dbraw/zinc/01/43/07/578014307.db2.gz CPCMEDLLKOJLGB-INIZCTEOSA-N 0 3 326.444 2.017 20 10 EECDHN CCNC(=O)NC(=O)[C@H](C)[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000772772058 577296626 /nfs/dbraw/zinc/29/66/26/577296626.db2.gz RWDQNMSXSFYZHV-ZDUSSCGKSA-N 0 3 333.432 2.371 20 10 EECDHN CCNC(=O)NC(=O)[C@H](C)[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000772772058 577296628 /nfs/dbraw/zinc/29/66/28/577296628.db2.gz RWDQNMSXSFYZHV-ZDUSSCGKSA-N 0 3 333.432 2.371 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C[C@@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000773252923 577327253 /nfs/dbraw/zinc/32/72/53/577327253.db2.gz BMUDUCXQZKSPST-GLJUWKHASA-N 0 3 333.428 2.457 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C[C@@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000773252923 577327256 /nfs/dbraw/zinc/32/72/56/577327256.db2.gz BMUDUCXQZKSPST-GLJUWKHASA-N 0 3 333.428 2.457 20 10 EECDHN COc1ccc(N2CCCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000775619406 577441143 /nfs/dbraw/zinc/44/11/43/577441143.db2.gz PGIDXRQWQCZLDK-BGYRXZFFSA-N 0 3 345.487 2.071 20 10 EECDHN Cc1cccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1O ZINC000775711096 577443401 /nfs/dbraw/zinc/44/34/01/577443401.db2.gz SLLUXIAYHPMLPD-UHFFFAOYSA-N 0 3 325.412 2.122 20 10 EECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@](O)(c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000776767581 577467556 /nfs/dbraw/zinc/46/75/56/577467556.db2.gz DFMDWHLXDUVNOT-MJGOQNOKSA-N 0 3 345.370 2.051 20 10 EECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@](O)(c3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000776767581 577467557 /nfs/dbraw/zinc/46/75/57/577467557.db2.gz DFMDWHLXDUVNOT-MJGOQNOKSA-N 0 3 345.370 2.051 20 10 EECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000777722875 577485390 /nfs/dbraw/zinc/48/53/90/577485390.db2.gz WQSQZYUZICXUTJ-OUCADQQQSA-N 0 3 327.446 2.407 20 10 EECDHN COC[C@@H](CCO)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766106084 577513175 /nfs/dbraw/zinc/51/31/75/577513175.db2.gz CCBGWYKQWFRSLT-ZIAGYGMSSA-N 0 3 342.867 2.225 20 10 EECDHN C[N@H+](CCOCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464800 577556406 /nfs/dbraw/zinc/55/64/06/577556406.db2.gz VPUZWBVGGQSPED-GOSISDBHSA-N 0 3 329.396 2.467 20 10 EECDHN C[N@@H+](CCOCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464800 577556407 /nfs/dbraw/zinc/55/64/07/577556407.db2.gz VPUZWBVGGQSPED-GOSISDBHSA-N 0 3 329.396 2.467 20 10 EECDHN O[C@H]([C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000769381792 577576626 /nfs/dbraw/zinc/57/66/26/577576626.db2.gz REIRCTRNRLXKDF-HZPDHXFCSA-N 0 3 344.377 2.411 20 10 EECDHN CCc1nnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891247340 676241746 /nfs/dbraw/zinc/24/17/46/676241746.db2.gz IMJMRSMSGLJTNH-CQSZACIVSA-N 0 3 347.488 2.199 20 10 EECDHN CNc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000891249069 676245027 /nfs/dbraw/zinc/24/50/27/676245027.db2.gz PCBZQTXUIYBBTK-QGZVFWFLSA-N 0 3 341.459 2.222 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc[nH]c2=S)N(C)C)cc1 ZINC000891252111 676246778 /nfs/dbraw/zinc/24/67/78/676246778.db2.gz GIQLGEXZNDGICN-INIZCTEOSA-N 0 3 344.484 2.469 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCCCO2)N(C)C)cc1 ZINC000892323348 678802025 /nfs/dbraw/zinc/80/20/25/678802025.db2.gz ZZMUUHXPZWLFIU-QZTJIDSGSA-N 0 3 348.491 2.224 20 10 EECDHN COCCOc1ccc(CNCc2cc(C)cc(OC)c2O)cn1 ZINC000894183675 681193438 /nfs/dbraw/zinc/19/34/38/681193438.db2.gz HGDXCJPQHPJFQT-UHFFFAOYSA-N 0 3 332.400 2.419 20 10 EECDHN CNC(=O)OC[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1O ZINC000894513170 682938676 /nfs/dbraw/zinc/93/86/76/682938676.db2.gz DRACGESTHQUNEN-ZDUSSCGKSA-N 0 3 338.404 2.120 20 10 EECDHN CC[C@H](COC)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893114023 683795053 /nfs/dbraw/zinc/79/50/53/683795053.db2.gz SXFGTHKYJJJJRI-NVXWUHKLSA-N 0 3 336.480 2.080 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897693866 691750807 /nfs/dbraw/zinc/75/08/07/691750807.db2.gz QMPGUJJXKHLTQU-GOSISDBHSA-N 0 3 336.432 2.162 20 10 EECDHN O=C1N(CC(F)F)CCC12CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001272902886 1193598073 /nfs/dbraw/zinc/59/80/73/1193598073.db2.gz ITWXEYPFSPVPEO-UHFFFAOYSA-N 0 3 340.370 2.177 20 10 EECDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c([O-])c1 ZINC001272626377 1190938232 /nfs/dbraw/zinc/93/82/32/1190938232.db2.gz WRDXMGXIRBGNQW-QGZVFWFLSA-N 0 3 340.370 2.090 20 10 EECDHN COc1ccc(C[N@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c([O-])c1 ZINC001272626377 1190938235 /nfs/dbraw/zinc/93/82/35/1190938235.db2.gz WRDXMGXIRBGNQW-QGZVFWFLSA-N 0 3 340.370 2.090 20 10 EECDHN COc1cccc([C@H](C)NC[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000866436022 1201516942 /nfs/dbraw/zinc/51/69/42/1201516942.db2.gz IVUYRTYGRBQZOH-JOYOIKCWSA-N 0 3 330.310 2.447 20 10 EECDHN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000883014729 1201996331 /nfs/dbraw/zinc/99/63/31/1201996331.db2.gz ZDERSQMUUMEWTK-LBPRGKRZSA-N 0 3 326.387 2.261 20 10 EECDHN Fc1cc(CN[C@H]2CCCC23OCCO3)ccc1N1CCOCC1 ZINC000883179026 1202026475 /nfs/dbraw/zinc/02/64/75/1202026475.db2.gz LMRYBASXQHRWST-KRWDZBQOSA-N 0 3 336.407 2.048 20 10 EECDHN CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC001275909164 1205581211 /nfs/dbraw/zinc/58/12/11/1205581211.db2.gz SHYNQIQYDDYIKL-WMLDXEAASA-N 0 3 344.434 2.454 20 10 EECDHN CCn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC001275909164 1205581212 /nfs/dbraw/zinc/58/12/12/1205581212.db2.gz SHYNQIQYDDYIKL-WMLDXEAASA-N 0 3 344.434 2.454 20 10 EECDHN Cc1cc(O)c(CN2CC3(CN(CCn4ccnc4)C3)C2)cc1Cl ZINC001276372560 1229023801 /nfs/dbraw/zinc/02/38/01/1229023801.db2.gz YHMRCBOSUXWURH-UHFFFAOYSA-N 0 3 346.862 2.368 20 10 EECDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@@](C)(C3CC3)C2=O)N(C)C)cc1 ZINC000900184762 1234073145 /nfs/dbraw/zinc/07/31/45/1234073145.db2.gz GGTKANDQHXJYFW-APWZRJJASA-N 0 3 344.459 2.076 20 10 EECDHN COc1ccc(N2CCN(CC[C@@H]3COC(C)(C)O3)CC2)cc1F ZINC000851809923 1291850718 /nfs/dbraw/zinc/85/07/18/1291850718.db2.gz ZJBFRZLQRRYWBA-OAHLLOKOSA-N 0 3 338.423 2.498 20 10 EECDHN C[C@@H]1CN(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C[C@H](C)O1 ZINC000851841089 1291878314 /nfs/dbraw/zinc/87/83/14/1291878314.db2.gz MTOCZTBACKAPRX-ZIFCJYIRSA-N 0 3 348.487 2.482 20 10 EECDHN C[C@@H]1CN(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C[C@H](C)O1 ZINC000851841089 1291878327 /nfs/dbraw/zinc/87/83/27/1291878327.db2.gz MTOCZTBACKAPRX-ZIFCJYIRSA-N 0 3 348.487 2.482 20 10 EECDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001211355426 1295840056 /nfs/dbraw/zinc/84/00/56/1295840056.db2.gz YUFPPQOZZWRNEI-LJQANCHMSA-N 0 3 341.455 2.431 20 10 EECDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc3c(c1)OCCN3C)C2 ZINC001277652474 1304090718 /nfs/dbraw/zinc/09/07/18/1304090718.db2.gz DAVRBLHBBJIXPE-HGKCTWBKSA-N 0 3 343.471 2.061 20 10 EECDHN CCOC(=O)c1c(CN2CC(C)(N(C)C)C2)c2ccccc2n1C ZINC001233272742 1304412703 /nfs/dbraw/zinc/41/27/03/1304412703.db2.gz YXNLJFSBCJFNQP-UHFFFAOYSA-N 0 3 329.444 2.491 20 10 EECDHN CCOC(=O)c1c(CN2CCN3CC[C@H]3C2)c2ccccc2n1C ZINC001233273832 1304413756 /nfs/dbraw/zinc/41/37/56/1304413756.db2.gz UHPNYUSLYZDQRU-AWEZNQCLSA-N 0 3 327.428 2.245 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC001233289579 1304417556 /nfs/dbraw/zinc/41/75/56/1304417556.db2.gz AOHIXKZYJCPCJM-LLVKDONJSA-N 0 3 326.824 2.354 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC001233289579 1304417557 /nfs/dbraw/zinc/41/75/57/1304417557.db2.gz AOHIXKZYJCPCJM-LLVKDONJSA-N 0 3 326.824 2.354 20 10 EECDHN Oc1c(CN2CCN([C@H]3CCOC3)CC2)cccc1C(F)(F)F ZINC001233416133 1304462125 /nfs/dbraw/zinc/46/21/25/1304462125.db2.gz WZIPLMAZHFUZLD-ZDUSSCGKSA-N 0 3 330.350 2.318 20 10 EECDHN C[C@@H]1[C@@H]([NH3+])CCCN1Cc1ccc(I)cc1[O-] ZINC001236421603 1305575214 /nfs/dbraw/zinc/57/52/14/1305575214.db2.gz VBSMFIKUWJCNAZ-SKDRFNHKSA-N 0 3 346.212 2.308 20 10 EECDHN CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001237042205 1305775160 /nfs/dbraw/zinc/77/51/60/1305775160.db2.gz YALNTJDTSKXEPB-NXHRZFHOSA-N 0 3 348.443 2.047 20 10 EECDHN CCOc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NC(C)C)C[C@H]32)c([O-])c1 ZINC001237042205 1305775167 /nfs/dbraw/zinc/77/51/67/1305775167.db2.gz YALNTJDTSKXEPB-NXHRZFHOSA-N 0 3 348.443 2.047 20 10 EECDHN C[N@H+](CCN1CCOCC1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237051510 1305779573 /nfs/dbraw/zinc/77/95/73/1305779573.db2.gz MCRUMJUHLZFTNW-UHFFFAOYSA-N 0 3 348.365 2.097 20 10 EECDHN C[N@@H+](CCN1CCOCC1)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237051510 1305779578 /nfs/dbraw/zinc/77/95/78/1305779578.db2.gz MCRUMJUHLZFTNW-UHFFFAOYSA-N 0 3 348.365 2.097 20 10 EECDHN O=S1(=O)CCN(c2ccc(CN3CCC4(CCC4)C3)cc2)CC1 ZINC001237208423 1305849152 /nfs/dbraw/zinc/84/91/52/1305849152.db2.gz BSFJRRHYSIWZQJ-UHFFFAOYSA-N 0 3 334.485 2.297 20 10 EECDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1cccnc1 ZINC001140060498 1314806888 /nfs/dbraw/zinc/80/68/88/1314806888.db2.gz YSQZXBGODLKTLA-UHFFFAOYSA-N 0 3 329.375 2.321 20 10 EECDHN O=c1[nH]ccc2c1CCN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140288528 1314854116 /nfs/dbraw/zinc/85/41/16/1314854116.db2.gz VRPJWEHIJWJEFZ-UHFFFAOYSA-N 0 3 339.439 2.307 20 10 EECDHN Fc1cc(N2CCOCC2)ccc1CN1CCN2CCCC[C@@H]2C1 ZINC001140661376 1314924028 /nfs/dbraw/zinc/92/40/28/1314924028.db2.gz CCVMHTKQBHZWJT-GOSISDBHSA-N 0 3 333.451 2.332 20 10 EECDHN CC(=O)N(C)[C@@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078341 1315037855 /nfs/dbraw/zinc/03/78/55/1315037855.db2.gz SZACNEMQCSRYID-LJQANCHMSA-N 0 3 327.472 2.438 20 10 EECDHN Nc1ccc(CCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000841638264 1315590335 /nfs/dbraw/zinc/59/03/35/1315590335.db2.gz SRWQZVQKFZQLDC-IBGZPJMESA-N 0 3 338.455 2.385 20 10 EECDHN COC(=O)Cc1ccc(CN2CC3(C2)C[C@@H](F)CS3)c(O)c1 ZINC001249207742 1317023469 /nfs/dbraw/zinc/02/34/69/1317023469.db2.gz HRODAHKYAHEBCE-CYBMUJFWSA-N 0 3 325.405 2.137 20 10 EECDHN COc1ccccc1OC[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252895352 1317714943 /nfs/dbraw/zinc/71/49/43/1317714943.db2.gz VVQZYCBKKURLTI-OAHLLOKOSA-N 0 3 329.396 2.199 20 10 EECDHN COc1ccccc1OC[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252895352 1317714949 /nfs/dbraw/zinc/71/49/49/1317714949.db2.gz VVQZYCBKKURLTI-OAHLLOKOSA-N 0 3 329.396 2.199 20 10 EECDHN CCN1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C ZINC001254010947 1317982312 /nfs/dbraw/zinc/98/23/12/1317982312.db2.gz QNXNNMYGSIAZRR-MRXNPFEDSA-N 0 3 334.483 2.104 20 10 EECDHN O=C(CC1CC1)N[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO[C@H]12 ZINC001203551291 1321910377 /nfs/dbraw/zinc/91/03/77/1321910377.db2.gz AUJRKGTVVTWQCP-QKLQHJQFSA-N 0 3 344.455 2.288 20 10 EECDHN O=C(CC1CC1)N[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO[C@H]12 ZINC001203551291 1321910378 /nfs/dbraw/zinc/91/03/78/1321910378.db2.gz AUJRKGTVVTWQCP-QKLQHJQFSA-N 0 3 344.455 2.288 20 10 EECDHN O=C(c1ccccc1)N1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203877940 1321980420 /nfs/dbraw/zinc/98/04/20/1321980420.db2.gz LSISJNCAWJXDNK-IAGOWNOFSA-N 0 3 338.407 2.302 20 10 EECDHN CN1CCN(c2ccc(CN3CCC4(CCO4)CC3)cc2F)CC1 ZINC001321205392 1333044089 /nfs/dbraw/zinc/04/40/89/1333044089.db2.gz WXIJCDPDCZQEBD-UHFFFAOYSA-N 0 3 333.451 2.332 20 10 EECDHN CN1CCN(c2ccc(CNCc3ccc(CO)cc3)cc2F)CC1 ZINC001328511590 1334471454 /nfs/dbraw/zinc/47/14/54/1334471454.db2.gz KPAAWUXBZXRRAU-UHFFFAOYSA-N 0 3 343.446 2.360 20 10 EECDHN C[C@@H](NC(=O)Nc1ccnn1CCN(C)C)c1ccc(N(C)C)cc1 ZINC000836700195 1372742277 /nfs/dbraw/zinc/74/22/77/1372742277.db2.gz MKJDRXGYICYXSE-CQSZACIVSA-N 0 3 344.463 2.393 20 10 EECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1[O-] ZINC000840833754 783024720 /nfs/dbraw/zinc/02/47/20/783024720.db2.gz PLSCPRIHTHLCFW-NXEZZACHSA-N 0 3 327.222 2.250 20 10 EECDHN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902066 785054733 /nfs/dbraw/zinc/05/47/33/785054733.db2.gz HRIHPIHRWWLJKF-OALUTQOASA-N 0 3 345.487 2.306 20 10 EECDHN CN1CCCc2cc(CNC(=O)NCCN3CCCCC3)ccc21 ZINC000058483278 789907384 /nfs/dbraw/zinc/90/73/84/789907384.db2.gz NNJNVKNWGJLMAB-UHFFFAOYSA-N 0 3 330.476 2.354 20 10 EECDHN COCCOCCN1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000846118519 790056636 /nfs/dbraw/zinc/05/66/36/790056636.db2.gz WONNXPVBISOKLW-UHFFFAOYSA-N 0 3 344.455 2.326 20 10 EECDHN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCCF)cc1 ZINC001085436940 800504563 /nfs/dbraw/zinc/50/45/63/800504563.db2.gz JSHKFHPKUVYYAZ-ZIAGYGMSSA-N 0 3 335.383 2.449 20 10 EECDHN CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)N(C)C ZINC000132870485 803083513 /nfs/dbraw/zinc/08/35/13/803083513.db2.gz VLSHEWCMPBBOQE-MAUKXSAKSA-N 0 3 333.476 2.287 20 10 EECDHN COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccc(OC)cc43)C[C@@H]21 ZINC000793642328 810448970 /nfs/dbraw/zinc/44/89/70/810448970.db2.gz IPGBEIMHDHHDQP-VQFNDLOPSA-N 0 3 327.380 2.405 20 10 EECDHN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c([O-])ccc4ccc(OC)cc43)C[C@@H]21 ZINC000793642328 810448975 /nfs/dbraw/zinc/44/89/75/810448975.db2.gz IPGBEIMHDHHDQP-VQFNDLOPSA-N 0 3 327.380 2.405 20 10 EECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2c1c(F)ccc2[O-] ZINC000806173938 811772788 /nfs/dbraw/zinc/77/27/88/811772788.db2.gz OXNTXVYZWFTDJA-MDZLAQPJSA-N 0 3 327.421 2.494 20 10 EECDHN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1ccccc1[O-] ZINC000192954540 529682770 /nfs/dbraw/zinc/68/27/70/529682770.db2.gz IGYOKQGKVOEKSO-OAHLLOKOSA-N 0 3 326.462 2.247 20 10 EECDHN Cc1cc(O)c(CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1C ZINC000093014349 237043072 /nfs/dbraw/zinc/04/30/72/237043072.db2.gz SFYNHCDQCHKKBL-KRWDZBQOSA-N 0 3 332.444 2.222 20 10 EECDHN CN1CCN(c2cc(C[NH2+][C@@H]3CCc4cccc([O-])c43)ccn2)CC1 ZINC000296001794 465047800 /nfs/dbraw/zinc/04/78/00/465047800.db2.gz OKGFONGVEAVPKL-QGZVFWFLSA-N 0 3 338.455 2.316 20 10 EECDHN CC[C@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(N(C)CC)cc1 ZINC000296586035 465226137 /nfs/dbraw/zinc/22/61/37/465226137.db2.gz UQUCDPDJISEMBN-UKRRQHHQSA-N 0 3 327.494 2.121 20 10 EECDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)cc1F ZINC000066191384 462861618 /nfs/dbraw/zinc/86/16/18/462861618.db2.gz NUKWOSJGVUUSRO-OAHLLOKOSA-N 0 3 334.439 2.271 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCCCCC1)cc2=O ZINC000051228742 463026001 /nfs/dbraw/zinc/02/60/01/463026001.db2.gz WPTULOWJXFGAEM-UHFFFAOYSA-N 0 3 332.404 2.378 20 10 EECDHN Cc1cc(Br)cc(CN(CC(N)=O)CC(C)C)c1O ZINC000124539317 463435724 /nfs/dbraw/zinc/43/57/24/463435724.db2.gz XDQGWDQWOUPUDD-UHFFFAOYSA-N 0 3 329.238 2.406 20 10 EECDHN CN(CCN(C)C1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000185292633 463796510 /nfs/dbraw/zinc/79/65/10/463796510.db2.gz KOOBSEWVXXMYAE-UHFFFAOYSA-N 0 3 330.476 2.305 20 10 EECDHN CN(CCN(C)C1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000185439443 463823073 /nfs/dbraw/zinc/82/30/73/463823073.db2.gz PIZQWIFSAUAUHH-UHFFFAOYSA-N 0 3 328.460 2.298 20 10 EECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)[C@@H]1CC)cc2=O ZINC000185620279 463852074 /nfs/dbraw/zinc/85/20/74/463852074.db2.gz NJNHDDSVGCRAHQ-FZMZJTMJSA-N 0 3 332.404 2.232 20 10 EECDHN CC1CCN(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000194583797 463888951 /nfs/dbraw/zinc/88/89/51/463888951.db2.gz YYLVOWPWSFQTEX-UHFFFAOYSA-N 0 3 345.487 2.214 20 10 EECDHN CC(C)[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269261995 463932444 /nfs/dbraw/zinc/93/24/44/463932444.db2.gz WPVSGFOBTPTMAN-AHIWAGSCSA-N 0 3 337.439 2.039 20 10 EECDHN CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278316750 463961179 /nfs/dbraw/zinc/96/11/79/463961179.db2.gz XLZUKXIWDQBHSL-CYBMUJFWSA-N 0 3 337.420 2.473 20 10 EECDHN CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278316750 463961185 /nfs/dbraw/zinc/96/11/85/463961185.db2.gz XLZUKXIWDQBHSL-CYBMUJFWSA-N 0 3 337.420 2.473 20 10 EECDHN CCOCc1cc(CNC[C@H]2CCCS(=O)(=O)C2)ccc1OC ZINC000290144985 464109666 /nfs/dbraw/zinc/10/96/66/464109666.db2.gz OKAIJHFZPJBTQJ-OAHLLOKOSA-N 0 3 341.473 2.146 20 10 EECDHN COc1c([O-])c(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490498 464120992 /nfs/dbraw/zinc/12/09/92/464120992.db2.gz ONMHBTICUBCLHW-GXTWGEPZSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490498 464120996 /nfs/dbraw/zinc/12/09/96/464120996.db2.gz ONMHBTICUBCLHW-GXTWGEPZSA-N 0 3 335.404 2.225 20 10 EECDHN COc1c([O-])c(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000290643715 464127176 /nfs/dbraw/zinc/12/71/76/464127176.db2.gz YQELMJFBARWVCT-AWEZNQCLSA-N 0 3 349.431 2.473 20 10 EECDHN COc1c([O-])c(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000290643715 464127179 /nfs/dbraw/zinc/12/71/79/464127179.db2.gz YQELMJFBARWVCT-AWEZNQCLSA-N 0 3 349.431 2.473 20 10 EECDHN COc1cccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000291231799 464148868 /nfs/dbraw/zinc/14/88/68/464148868.db2.gz KKIDEGLEBZLXBZ-CYBMUJFWSA-N 0 3 330.359 2.435 20 10 EECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000180070829 464235368 /nfs/dbraw/zinc/23/53/68/464235368.db2.gz YEOGJZUBGGHAFN-CYBMUJFWSA-N 0 3 328.416 2.318 20 10 EECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000180070829 464235372 /nfs/dbraw/zinc/23/53/72/464235372.db2.gz YEOGJZUBGGHAFN-CYBMUJFWSA-N 0 3 328.416 2.318 20 10 EECDHN CCOc1cccc(CN2CCSC[C@H]2CC(=O)OC)c1O ZINC000271162718 464285147 /nfs/dbraw/zinc/28/51/47/464285147.db2.gz AYUYROFKDUNRCV-CYBMUJFWSA-N 0 3 325.430 2.271 20 10 EECDHN COc1cc(O)c(CN[C@H](CC(N)=O)c2ccccc2)cc1OC ZINC000293731310 464419424 /nfs/dbraw/zinc/41/94/24/464419424.db2.gz UVHGCNRZXWRYPK-CQSZACIVSA-N 0 3 330.384 2.116 20 10 EECDHN CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)(C)O ZINC000266026363 464762403 /nfs/dbraw/zinc/76/24/03/464762403.db2.gz QHRYWQHUNOTJBH-UHFFFAOYSA-N 0 3 335.492 2.194 20 10 EECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1[O-] ZINC000275381728 464773253 /nfs/dbraw/zinc/77/32/53/464773253.db2.gz XSAODOSAUODWOS-ONGXEEELSA-N 0 3 327.222 2.344 20 10 EECDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000282458101 464826515 /nfs/dbraw/zinc/82/65/15/464826515.db2.gz VLFKHMRWAQYDGR-JCQPUDPBSA-N 0 3 340.464 2.224 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000359955361 465511110 /nfs/dbraw/zinc/51/11/10/465511110.db2.gz HTWYGYDTVDOSQF-BBRMVZONSA-N 0 3 327.808 2.482 20 10 EECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000359955366 465511733 /nfs/dbraw/zinc/51/17/33/465511733.db2.gz HTWYGYDTVDOSQF-CZUORRHYSA-N 0 3 327.808 2.482 20 10 EECDHN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000493835385 467993598 /nfs/dbraw/zinc/99/35/98/467993598.db2.gz JBSGAYOVMDQCFX-GWJCSSMESA-N 0 3 330.819 2.312 20 10 EECDHN Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000756836399 577850872 /nfs/dbraw/zinc/85/08/72/577850872.db2.gz AGKARUCANRVKDP-HEHGZKQESA-N 0 3 328.416 2.279 20 10 EECDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000757775575 577863849 /nfs/dbraw/zinc/86/38/49/577863849.db2.gz KBLZMNAKUKFZBO-RDTXWAMCSA-N 0 3 330.476 2.377 20 10 EECDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000745839179 577919419 /nfs/dbraw/zinc/91/94/19/577919419.db2.gz VHJZICFABISFMV-RDJZCZTQSA-N 0 3 328.460 2.345 20 10 EECDHN C[C@@H]1COCC[C@@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894450021 682897216 /nfs/dbraw/zinc/89/72/16/682897216.db2.gz YRBIXVBBNFFMOT-JLSDUUJJSA-N 0 3 348.491 2.080 20 10 EECDHN COC(=O)c1c(CN(C)CC2(O)CCC2)c2cc(F)ccc2n1C ZINC000894461427 682911597 /nfs/dbraw/zinc/91/15/97/682911597.db2.gz LJLVREMONUCLNP-UHFFFAOYSA-N 0 3 334.391 2.451 20 10 EECDHN CC[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)OC ZINC000894974531 683445069 /nfs/dbraw/zinc/44/50/69/683445069.db2.gz HGXXQVANUWDLAW-IRXDYDNUSA-N 0 3 336.480 2.080 20 10 EECDHN CO[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000895055460 683563715 /nfs/dbraw/zinc/56/37/15/683563715.db2.gz QMESHNHTZKSVLA-MSOLQXFVSA-N 0 3 348.491 2.080 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC(F)(F)C2)N(C)C)cc1 ZINC000899103850 693607649 /nfs/dbraw/zinc/60/76/49/693607649.db2.gz ODWVWZLYUPMDNN-OAHLLOKOSA-N 0 3 340.418 2.406 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765333 1193487049 /nfs/dbraw/zinc/48/70/49/1193487049.db2.gz HHUKQRSNDPIXLG-IFXJQAMLSA-N 0 3 330.428 2.103 20 10 EECDHN CC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccc(C)cc3[O-])C2)C1=O ZINC001272765333 1193487051 /nfs/dbraw/zinc/48/70/51/1193487051.db2.gz HHUKQRSNDPIXLG-IFXJQAMLSA-N 0 3 330.428 2.103 20 10 EECDHN CN(CC(=O)NCc1ccc(N2CCOCC2)cc1)CC(C)(C)C ZINC000874155272 1198805604 /nfs/dbraw/zinc/80/56/04/1198805604.db2.gz QBOKDPYLJXHZFJ-UHFFFAOYSA-N 0 3 333.476 2.117 20 10 EECDHN CCCN(CCC)c1ccc(CNCCS(=O)(=O)N(C)C)cc1 ZINC000810181839 1199333680 /nfs/dbraw/zinc/33/36/80/1199333680.db2.gz VCEXEGBTXXMHQY-UHFFFAOYSA-N 0 3 341.521 2.294 20 10 EECDHN CCOC(=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000876964303 1199831590 /nfs/dbraw/zinc/83/15/90/1199831590.db2.gz XQENEFGNAQOJQL-UHFFFAOYSA-N 0 3 343.427 2.318 20 10 EECDHN Cc1ccc(C[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000877048720 1199853963 /nfs/dbraw/zinc/85/39/63/1199853963.db2.gz PWQCEYYGEAWNGN-QGZVFWFLSA-N 0 3 340.471 2.396 20 10 EECDHN CN1CCN(c2ccc(CN3CC(O)(c4ccccc4)C3)cc2)CC1 ZINC000811509142 1200116945 /nfs/dbraw/zinc/11/69/45/1200116945.db2.gz PNFYNJQASBYVJA-UHFFFAOYSA-N 0 3 337.467 2.142 20 10 EECDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000879650003 1201193723 /nfs/dbraw/zinc/19/37/23/1201193723.db2.gz XFMSMNQAXBIURE-SJKOYZFVSA-N 0 3 335.425 2.180 20 10 EECDHN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1[O-] ZINC001274302328 1204990956 /nfs/dbraw/zinc/99/09/56/1204990956.db2.gz ZJVYMBGTWNFWNF-IAGOWNOFSA-N 0 3 332.444 2.302 20 10 EECDHN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)cccc1[O-] ZINC001274302328 1204990958 /nfs/dbraw/zinc/99/09/58/1204990958.db2.gz ZJVYMBGTWNFWNF-IAGOWNOFSA-N 0 3 332.444 2.302 20 10 EECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275952766 1205600310 /nfs/dbraw/zinc/60/03/10/1205600310.db2.gz MRMHBUIXSXBFJT-IBGZPJMESA-N 0 3 342.443 2.309 20 10 EECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001275952766 1205600311 /nfs/dbraw/zinc/60/03/11/1205600311.db2.gz MRMHBUIXSXBFJT-IBGZPJMESA-N 0 3 342.443 2.309 20 10 EECDHN Cc1cc(Br)cc(CN(C)CCNC(=O)N(C)C)c1O ZINC000779431749 1210246841 /nfs/dbraw/zinc/24/68/41/1210246841.db2.gz DHOSMUBGUJTPCM-UHFFFAOYSA-N 0 3 344.253 2.166 20 10 EECDHN Cc1cc(Br)cc(C[N@@H+](C)CCNC(=O)N(C)C)c1[O-] ZINC000779431749 1210246844 /nfs/dbraw/zinc/24/68/44/1210246844.db2.gz DHOSMUBGUJTPCM-UHFFFAOYSA-N 0 3 344.253 2.166 20 10 EECDHN Cc1cc(Br)cc(C[N@H+](C)CCNC(=O)N(C)C)c1[O-] ZINC000779431749 1210246848 /nfs/dbraw/zinc/24/68/48/1210246848.db2.gz DHOSMUBGUJTPCM-UHFFFAOYSA-N 0 3 344.253 2.166 20 10 EECDHN COCCN(CC[NH+](C)C)Cc1c([O-])cccc1Br ZINC000862367499 1295810390 /nfs/dbraw/zinc/81/03/90/1295810390.db2.gz KSURAURJUFGGPK-UHFFFAOYSA-N 0 3 331.254 2.165 20 10 EECDHN C[C@]1(NC(=O)c2cccc(O)c2O)CCN(Cc2ccccc2)C1 ZINC000406066334 1297497908 /nfs/dbraw/zinc/49/79/08/1297497908.db2.gz OURMUMCFGLOVGC-IBGZPJMESA-N 0 3 326.396 2.492 20 10 EECDHN COc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c(OC)c1 ZINC001276994939 1300727249 /nfs/dbraw/zinc/72/72/49/1300727249.db2.gz URSPLUNTRNNMLP-HOTGVXAUSA-N 0 3 328.416 2.280 20 10 EECDHN O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2)N1CCCCO1 ZINC001277197265 1301771941 /nfs/dbraw/zinc/77/19/41/1301771941.db2.gz YAUOASAQEHJZIS-JLVBRIDZSA-N 0 3 346.427 2.110 20 10 EECDHN O=C([C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2)N1CCCCO1 ZINC001277197265 1301771948 /nfs/dbraw/zinc/77/19/48/1301771948.db2.gz YAUOASAQEHJZIS-JLVBRIDZSA-N 0 3 346.427 2.110 20 10 EECDHN COCCN(C)C(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001277446428 1303078384 /nfs/dbraw/zinc/07/83/84/1303078384.db2.gz PUYANQBTPBOJFY-MRXNPFEDSA-N 0 3 332.444 2.099 20 10 EECDHN COc1cc(N(C)C)ccc1CN1CCC2(CCCC(=O)N2)CC1 ZINC001231852888 1303930857 /nfs/dbraw/zinc/93/08/57/1303930857.db2.gz SFYJDKLLWUWXHU-UHFFFAOYSA-N 0 3 331.460 2.396 20 10 EECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC001233289580 1304417488 /nfs/dbraw/zinc/41/74/88/1304417488.db2.gz AOHIXKZYJCPCJM-NSHDSACASA-N 0 3 326.824 2.354 20 10 EECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC001233289580 1304417491 /nfs/dbraw/zinc/41/74/91/1304417491.db2.gz AOHIXKZYJCPCJM-NSHDSACASA-N 0 3 326.824 2.354 20 10 EECDHN COCC[C@H]1CO[C@]2(C1)CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233483625 1304477284 /nfs/dbraw/zinc/47/72/84/1304477284.db2.gz GPDHAIMSKMRWMS-ACJLOTCBSA-N 0 3 337.416 2.211 20 10 EECDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c([O-])c1 ZINC001236811731 1305686128 /nfs/dbraw/zinc/68/61/28/1305686128.db2.gz SMISSQULVZBNCU-QKDCVEJESA-N 0 3 344.455 2.446 20 10 EECDHN COc1cc(C)c(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c([O-])c1 ZINC001236811731 1305686130 /nfs/dbraw/zinc/68/61/30/1305686130.db2.gz SMISSQULVZBNCU-QKDCVEJESA-N 0 3 344.455 2.446 20 10 EECDHN Cc1cccc(O)c1CN1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001237486198 1305954546 /nfs/dbraw/zinc/95/45/46/1305954546.db2.gz XESWJXUZVZAMFC-UHFFFAOYSA-N 0 3 349.475 2.343 20 10 EECDHN Cc1cc([O-])c(C[N@@H+](C)CCC(=O)N(C)C)cc1Br ZINC001237682414 1306044301 /nfs/dbraw/zinc/04/43/01/1306044301.db2.gz RSFNHOIGYYXTCE-UHFFFAOYSA-N 0 3 329.238 2.373 20 10 EECDHN Cc1cc([O-])c(C[N@H+](C)CCC(=O)N(C)C)cc1Br ZINC001237682414 1306044314 /nfs/dbraw/zinc/04/43/14/1306044314.db2.gz RSFNHOIGYYXTCE-UHFFFAOYSA-N 0 3 329.238 2.373 20 10 EECDHN COCCOc1ccc(N2CCN(Cc3ncccc3O)CC2)cc1 ZINC001138396614 1314608413 /nfs/dbraw/zinc/60/84/13/1314608413.db2.gz VNBPRQNIOJWTDU-UHFFFAOYSA-N 0 3 343.427 2.135 20 10 EECDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140667257 1314925949 /nfs/dbraw/zinc/92/59/49/1314925949.db2.gz MPQSONNYCUYROS-SFHVURJKSA-N 0 3 336.407 2.047 20 10 EECDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1[O-] ZINC000840974387 1315449801 /nfs/dbraw/zinc/44/98/01/1315449801.db2.gz IGZJHOUJLMVWCS-JTQLQIEISA-N 0 3 329.238 2.466 20 10 EECDHN COc1c([O-])c(CN2C[C@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000841106385 1315477158 /nfs/dbraw/zinc/47/71/58/1315477158.db2.gz LLTKEMZUPALFTE-CYBMUJFWSA-N 0 3 329.356 2.199 20 10 EECDHN Cc1cc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])cc1Br ZINC001250120590 1317215829 /nfs/dbraw/zinc/21/58/29/1317215829.db2.gz JYGBOJYEMQKANB-HNNXBMFYSA-N 0 3 339.233 2.175 20 10 EECDHN Cc1cc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c([O-])cc1Br ZINC001250120590 1317215836 /nfs/dbraw/zinc/21/58/36/1317215836.db2.gz JYGBOJYEMQKANB-HNNXBMFYSA-N 0 3 339.233 2.175 20 10 EECDHN [O-]c1cccc2c1C[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)CC2 ZINC001251584047 1317472957 /nfs/dbraw/zinc/47/29/57/1317472957.db2.gz QXLLVUIKPKTFNR-LLVKDONJSA-N 0 3 337.313 2.028 20 10 EECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)CC2 ZINC001251584047 1317472958 /nfs/dbraw/zinc/47/29/58/1317472958.db2.gz QXLLVUIKPKTFNR-LLVKDONJSA-N 0 3 337.313 2.028 20 10 EECDHN Cc1cnc2n1CCN(C)C21CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203552343 1321910443 /nfs/dbraw/zinc/91/04/43/1321910443.db2.gz KPJRLDDEDGJERN-UHFFFAOYSA-N 0 3 326.444 2.334 20 10 EECDHN Cc1noc(C[C@H]2C[C@H]3CN(Cc4ccc(N(C)C)cc4)C[C@H]3O2)n1 ZINC001203934053 1321994406 /nfs/dbraw/zinc/99/44/06/1321994406.db2.gz SLFWZXGXPYFYJJ-CGTJXYLNSA-N 0 3 342.443 2.276 20 10 EECDHN Cc1cnc2n1CCN(C)C21CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204274595 1322100289 /nfs/dbraw/zinc/10/02/89/1322100289.db2.gz QBURMXUHEMNKFB-UHFFFAOYSA-N 0 3 342.443 2.039 20 10 EECDHN COc1ccc(N(C)CCN(C)CCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001307897295 1331554033 /nfs/dbraw/zinc/55/40/33/1331554033.db2.gz MLIYRDYDTUKQPQ-IRXDYDNUSA-N 0 3 335.492 2.172 20 10 EECDHN Cc1cc(CN2CCC(O)(c3nccn3C)CC2)ccc1N(C)C ZINC001308046782 1331560169 /nfs/dbraw/zinc/56/01/69/1331560169.db2.gz BKCQPBJJYLLJKU-UHFFFAOYSA-N 0 3 328.460 2.278 20 10 EECDHN COc1cc(O)c(CN2CCC(NC(=O)C(C)C)CC2)c(OC)c1 ZINC001141028276 1372742742 /nfs/dbraw/zinc/74/27/42/1372742742.db2.gz ILJFPESWGBRHME-UHFFFAOYSA-N 0 3 336.432 2.146 20 10 EECDHN COc1ccc(N2CCC(NC(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC000106915458 777219778 /nfs/dbraw/zinc/21/97/78/777219778.db2.gz VCCFWCBVDYFIKA-SFHVURJKSA-N 0 3 333.476 2.366 20 10 EECDHN COc1ccc(N2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000819585428 785594786 /nfs/dbraw/zinc/59/47/86/785594786.db2.gz XUAUITQINRDIRE-HNNXBMFYSA-N 0 3 331.460 2.122 20 10 EECDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819642201 785631092 /nfs/dbraw/zinc/63/10/92/785631092.db2.gz NFTLVYGMSKLMAB-DOTOQJQBSA-N 0 3 338.407 2.444 20 10 EECDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819642201 785631100 /nfs/dbraw/zinc/63/11/00/785631100.db2.gz NFTLVYGMSKLMAB-DOTOQJQBSA-N 0 3 338.407 2.444 20 10 EECDHN Cc1cccc(CNCc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000824738922 788278497 /nfs/dbraw/zinc/27/84/97/788278497.db2.gz SLAPFGRDIJELDX-UHFFFAOYSA-N 0 3 334.441 2.241 20 10 EECDHN O=C(c1cccc(O)c1[O-])N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001148219141 792254535 /nfs/dbraw/zinc/25/45/35/792254535.db2.gz UZRQFAFOKKAYFJ-UHFFFAOYSA-N 0 3 331.347 2.031 20 10 EECDHN CCN(CC)C(=O)C[C@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC001169455596 803758752 /nfs/dbraw/zinc/75/87/52/803758752.db2.gz CEJHHQVZLZKTFS-INIZCTEOSA-N 0 3 333.476 2.464 20 10 EECDHN CCOc1ccc(C[NH2+][C@]2(CO)COc3ccccc3C2)c([O-])c1 ZINC000527768845 317259886 /nfs/dbraw/zinc/25/98/86/317259886.db2.gz FLQOUSIRWDBKAY-LJQANCHMSA-N 0 3 329.396 2.247 20 10 EECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CCSC)cc1F ZINC000167743855 463664185 /nfs/dbraw/zinc/66/41/85/463664185.db2.gz QDRVHEAXMIGXNQ-CQSZACIVSA-N 0 3 327.469 2.369 20 10 EECDHN CO[C@@]1(C)C[C@H](NCC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000296371750 465174543 /nfs/dbraw/zinc/17/45/43/465174543.db2.gz SPVSTSGKVWXVRX-LPHOPBHVSA-N 0 3 333.476 2.162 20 10 EECDHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000155700631 462931209 /nfs/dbraw/zinc/93/12/09/462931209.db2.gz YAMLWFUGTMOEJI-LJQANCHMSA-N 0 3 340.471 2.443 20 10 EECDHN CCOC(=O)c1nnc(C2CC[NH+](Cc3cccc(C)c3O)CC2)[n-]1 ZINC000278819680 463995385 /nfs/dbraw/zinc/99/53/85/463995385.db2.gz ZIBOXHCVWXLIHJ-UHFFFAOYSA-N 0 3 344.415 2.375 20 10 EECDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cccc(OC)c2O)C1 ZINC000289655894 464089428 /nfs/dbraw/zinc/08/94/28/464089428.db2.gz MZRYKACKVULTFT-AWEZNQCLSA-N 0 3 333.306 2.328 20 10 EECDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)n1cncn1 ZINC000289755091 464093985 /nfs/dbraw/zinc/09/39/85/464093985.db2.gz MUCGGWGLLAWUED-CQSZACIVSA-N 0 3 347.438 2.167 20 10 EECDHN Cc1cc(Br)cc(CN2CCC[C@H](OCCO)C2)c1O ZINC000180175159 464258781 /nfs/dbraw/zinc/25/87/81/464258781.db2.gz JNPYQNIZRODXSL-AWEZNQCLSA-N 0 3 344.249 2.436 20 10 EECDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180218778 464267244 /nfs/dbraw/zinc/26/72/44/464267244.db2.gz SCGSISQNISCRJQ-NSHDSACASA-N 0 3 341.249 2.421 20 10 EECDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000180218778 464267249 /nfs/dbraw/zinc/26/72/49/464267249.db2.gz SCGSISQNISCRJQ-NSHDSACASA-N 0 3 341.249 2.421 20 10 EECDHN COc1ccc(O)c(CN2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000180280175 464279447 /nfs/dbraw/zinc/27/94/47/464279447.db2.gz UFVSHOATGZTLKT-KRWDZBQOSA-N 0 3 331.416 2.080 20 10 EECDHN COc1ccc([O-])c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000180280175 464279451 /nfs/dbraw/zinc/27/94/51/464279451.db2.gz UFVSHOATGZTLKT-KRWDZBQOSA-N 0 3 331.416 2.080 20 10 EECDHN C[C@@H]1CN(CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000180850273 464407085 /nfs/dbraw/zinc/40/70/85/464407085.db2.gz IAIZWBPFLXHUPI-WVOQPWCKSA-N 0 3 348.443 2.117 20 10 EECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c([O-])c1 ZINC000293576045 464411555 /nfs/dbraw/zinc/41/15/55/464411555.db2.gz HIYHQNIKBQPVIF-INIZCTEOSA-N 0 3 346.431 2.102 20 10 EECDHN CCCOc1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c([O-])c1 ZINC000293576045 464411561 /nfs/dbraw/zinc/41/15/61/464411561.db2.gz HIYHQNIKBQPVIF-INIZCTEOSA-N 0 3 346.431 2.102 20 10 EECDHN COC(=O)/C=C/c1ccc(N2CC[C@@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272223781 464525108 /nfs/dbraw/zinc/52/51/08/464525108.db2.gz SLJGWXLQGJPRKH-PRIUCCMZSA-N 0 3 345.399 2.311 20 10 EECDHN CCC[C@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272273452 464546624 /nfs/dbraw/zinc/54/66/24/464546624.db2.gz BXPYJZCYYDGNSZ-XEZPLFJOSA-N 0 3 337.439 2.183 20 10 EECDHN CN(C)c1ccc(CNCCN2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000294790674 464604534 /nfs/dbraw/zinc/60/45/34/464604534.db2.gz HPKJUIIVVLQKMI-UHFFFAOYSA-N 0 3 345.409 2.318 20 10 EECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246921849 464634511 /nfs/dbraw/zinc/63/45/11/464634511.db2.gz WFNZDMFAFQBGMY-HKUYNNGSSA-N 0 3 345.487 2.212 20 10 EECDHN CC[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccccc1[O-] ZINC000183326883 464851204 /nfs/dbraw/zinc/85/12/04/464851204.db2.gz XCCPUOUTSVRIKH-CABCVRRESA-N 0 3 328.416 2.280 20 10 EECDHN COCCOCCOCC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000276251325 464864580 /nfs/dbraw/zinc/86/45/80/464864580.db2.gz VIQLMKXUADOKON-UHFFFAOYSA-N 0 3 347.839 2.166 20 10 EECDHN COCCOCCOCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000276251325 464864585 /nfs/dbraw/zinc/86/45/85/464864585.db2.gz VIQLMKXUADOKON-UHFFFAOYSA-N 0 3 347.839 2.166 20 10 EECDHN Cn1nncc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000267540468 464935721 /nfs/dbraw/zinc/93/57/21/464935721.db2.gz XZZCLGOKFYFRCJ-GFCCVEGCSA-N 0 3 337.374 2.175 20 10 EECDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000295863589 464990382 /nfs/dbraw/zinc/99/03/82/464990382.db2.gz BRUULQVSQLMYGL-IUODEOHRSA-N 0 3 340.489 2.249 20 10 EECDHN COc1ccc(N2CCC(NCCS(=O)(=O)C(C)C)CC2)cc1 ZINC000367356190 466285517 /nfs/dbraw/zinc/28/55/17/466285517.db2.gz KMJIGODVGKFPNG-UHFFFAOYSA-N 0 3 340.489 2.077 20 10 EECDHN Cc1ccc([O-])c(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000367700800 466500845 /nfs/dbraw/zinc/50/08/45/466500845.db2.gz CZTIUXXOJPYITG-UHFFFAOYSA-N 0 3 341.411 2.238 20 10 EECDHN O=C1CCCCN1[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000369279499 466723524 /nfs/dbraw/zinc/72/35/24/466723524.db2.gz XLXVVISRCMSVON-AWEZNQCLSA-N 0 3 332.400 2.098 20 10 EECDHN CN(C)c1ccc(CNC(=O)CN[C@](C)(CO)C2CCCCC2)cc1 ZINC000299411187 522192430 /nfs/dbraw/zinc/19/24/30/522192430.db2.gz VYZGZJLLGCIRPL-HXUWFJFHSA-N 0 3 347.503 2.290 20 10 EECDHN COC[C@](C)(O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732672684 577187907 /nfs/dbraw/zinc/18/79/07/577187907.db2.gz WMZPTAYGIDZGQM-QGZVFWFLSA-N 0 3 337.420 2.072 20 10 EECDHN CN(CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000732891548 577196431 /nfs/dbraw/zinc/19/64/31/577196431.db2.gz MMNKUYHPJFXAKW-QGZVFWFLSA-N 0 3 347.459 2.177 20 10 EECDHN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465344 577556451 /nfs/dbraw/zinc/55/64/51/577556451.db2.gz ZQUPLAQYNQRLJD-NVXWUHKLSA-N 0 3 329.400 2.197 20 10 EECDHN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465344 577556452 /nfs/dbraw/zinc/55/64/52/577556452.db2.gz ZQUPLAQYNQRLJD-NVXWUHKLSA-N 0 3 329.400 2.197 20 10 EECDHN COc1cc(Br)cc(CN2CC[NH2+]C(C)(C)C2)c1[O-] ZINC000769191724 577572112 /nfs/dbraw/zinc/57/21/12/577572112.db2.gz JJSANWBQOKQCHV-UHFFFAOYSA-N 0 3 329.238 2.347 20 10 EECDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)CC(F)F)c1[O-] ZINC000758614854 577628440 /nfs/dbraw/zinc/62/84/40/577628440.db2.gz KIWREGXRRSFDSR-SECBINFHSA-N 0 3 340.164 2.269 20 10 EECDHN O=C(CCNCc1ccc(N2CCOCC2)cc1)Nc1ccccn1 ZINC000742696801 577875529 /nfs/dbraw/zinc/87/55/29/577875529.db2.gz LFYBEUNMONSBCT-UHFFFAOYSA-N 0 3 340.427 2.037 20 10 EECDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000745839180 577919479 /nfs/dbraw/zinc/91/94/79/577919479.db2.gz VHJZICFABISFMV-WBVHZDCISA-N 0 3 328.460 2.345 20 10 EECDHN C[C@H]1C[C@H](C)N(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000740883374 578108786 /nfs/dbraw/zinc/10/87/86/578108786.db2.gz OAWQVMFADIWIJP-GJZGRUSLSA-N 0 3 349.450 2.009 20 10 EECDHN CCCn1nccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245305 676237640 /nfs/dbraw/zinc/23/76/40/676237640.db2.gz CGWVOWOHATVFJY-GOSISDBHSA-N 0 3 343.475 2.392 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc(Cl)n2C)N(C)C)cc1 ZINC000891245588 676238673 /nfs/dbraw/zinc/23/86/73/676238673.db2.gz HHNJCLVACIZIRZ-CQSZACIVSA-N 0 3 349.866 2.172 20 10 EECDHN COC[C@H](C)[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247764 676242978 /nfs/dbraw/zinc/24/29/78/676242978.db2.gz KEJLWXXQKZHRMK-MPGHIAIKSA-N 0 3 335.492 2.390 20 10 EECDHN COC(=O)C[C@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891250590 676245499 /nfs/dbraw/zinc/24/54/99/676245499.db2.gz XTAXHOOEEJLXEO-RHSMWYFYSA-N 0 3 349.475 2.061 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[C@@H]2C(F)F)N(C)C)cc1 ZINC000891250527 676245516 /nfs/dbraw/zinc/24/55/16/676245516.db2.gz WPQWDDJLOVTFTB-SOUVJXGZSA-N 0 3 325.403 2.373 20 10 EECDHN COC(=O)c1c(CN[C@@H]2C[C@@H](O)C2(C)C)c2cc(F)ccc2n1C ZINC000894494579 682930069 /nfs/dbraw/zinc/93/00/69/682930069.db2.gz OUPNFJCSHSZJSB-HUUCEWRRSA-N 0 3 334.391 2.353 20 10 EECDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000895007141 683474272 /nfs/dbraw/zinc/47/42/72/683474272.db2.gz UFWOTLOWHHEXHP-CABCVRRESA-N 0 3 326.396 2.102 20 10 EECDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000895007141 683474275 /nfs/dbraw/zinc/47/42/75/683474275.db2.gz UFWOTLOWHHEXHP-CABCVRRESA-N 0 3 326.396 2.102 20 10 EECDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cccn2C)N(C)C)cc1 ZINC000893349890 684808566 /nfs/dbraw/zinc/80/85/66/684808566.db2.gz CTIYHBSXBSVEQW-GOSISDBHSA-N 0 3 343.475 2.193 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccn(C)c2)N(C)C)cc1 ZINC000893410221 686895263 /nfs/dbraw/zinc/89/52/63/686895263.db2.gz ZEYQCDHRGKOKBZ-SFHVURJKSA-N 0 3 343.475 2.193 20 10 EECDHN C[C@H]1CCOCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899096092 693600591 /nfs/dbraw/zinc/60/05/91/693600591.db2.gz PNTDIXNAINKKQY-MAUKXSAKSA-N 0 3 348.491 2.176 20 10 EECDHN CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)cc1O ZINC001272764935 1193486867 /nfs/dbraw/zinc/48/68/67/1193486867.db2.gz DBNDKJHOVIBYNZ-KBRIMQKVSA-N 0 3 330.428 2.243 20 10 EECDHN Cc1ccc(C)n1-c1ccc(-c2noc([C@H](C)NC(=O)CN)n2)cc1 ZINC001212019140 1187620537 /nfs/dbraw/zinc/62/05/37/1187620537.db2.gz IIOSOLIMSICCAU-ZDUSSCGKSA-N 0 3 339.399 2.280 20 10 EECDHN CN(Cc1ccccc1O)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000841995787 1188217549 /nfs/dbraw/zinc/21/75/49/1188217549.db2.gz JDRUHQYOPHQFNY-QGZVFWFLSA-N 0 3 325.412 2.421 20 10 EECDHN O=C1N(CC2CCOCC2)CC[C@]12CCC[N@H+]2Cc1ccccc1[O-] ZINC001272618488 1190932833 /nfs/dbraw/zinc/93/28/33/1190932833.db2.gz JHYGBGLDQXTLIV-HXUWFJFHSA-N 0 3 344.455 2.386 20 10 EECDHN O=C1N(CC2CCOCC2)CC[C@]12CCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618488 1190932834 /nfs/dbraw/zinc/93/28/34/1190932834.db2.gz JHYGBGLDQXTLIV-HXUWFJFHSA-N 0 3 344.455 2.386 20 10 EECDHN CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618910 1190933886 /nfs/dbraw/zinc/93/38/86/1190933886.db2.gz PSWWOLQSYPGCFG-CQSZACIVSA-N 0 3 330.428 2.184 20 10 EECDHN COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001272981867 1194290557 /nfs/dbraw/zinc/29/05/57/1194290557.db2.gz AHCXHOLMPVTOFZ-IBGZPJMESA-N 0 3 348.443 2.091 20 10 EECDHN COCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001272981867 1194290561 /nfs/dbraw/zinc/29/05/61/1194290561.db2.gz AHCXHOLMPVTOFZ-IBGZPJMESA-N 0 3 348.443 2.091 20 10 EECDHN Cc1cccc([O-])c1C[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000877141941 1199868661 /nfs/dbraw/zinc/86/86/61/1199868661.db2.gz NDKZVPCUXUBHEF-UHFFFAOYSA-N 0 3 340.489 2.240 20 10 EECDHN CCc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3[C@@H](C)C(C)=O)c(O)c1 ZINC001274652894 1205116640 /nfs/dbraw/zinc/11/66/40/1205116640.db2.gz CNOIMDRVKPVOEK-MORSLUCNSA-N 0 3 344.455 2.497 20 10 EECDHN CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001275952663 1205600326 /nfs/dbraw/zinc/60/03/26/1205600326.db2.gz JPIAJIUWCKEBIG-UHFFFAOYSA-N 0 3 333.432 2.114 20 10 EECDHN CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001275952663 1205600327 /nfs/dbraw/zinc/60/03/27/1205600327.db2.gz JPIAJIUWCKEBIG-UHFFFAOYSA-N 0 3 333.432 2.114 20 10 EECDHN Cc1ccc(C)c(CN2CC3(CCN3CCn3ccnc3)C2)c1O ZINC001275968604 1205607837 /nfs/dbraw/zinc/60/78/37/1205607837.db2.gz FEHUVGIGOUSKNY-UHFFFAOYSA-N 0 3 326.444 2.166 20 10 EECDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924899041 1206048003 /nfs/dbraw/zinc/04/80/03/1206048003.db2.gz AGHZCMRZVMAYDI-NSHDSACASA-N 0 3 337.379 2.002 20 10 EECDHN CN(C)c1ccc([C@H](CNC(=O)Nc2ccncc2F)N(C)C)cc1 ZINC000930627177 1206571633 /nfs/dbraw/zinc/57/16/33/1206571633.db2.gz PFNHJRBFIMVSFF-KRWDZBQOSA-N 0 3 345.422 2.133 20 10 EECDHN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2c1CNC2 ZINC000852794637 1292200757 /nfs/dbraw/zinc/20/07/57/1292200757.db2.gz RTTDBDNMPWREIP-UHFFFAOYSA-N 0 3 337.423 2.056 20 10 EECDHN C[C@H]1C[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2c1c(F)ccc2[O-] ZINC000858469051 1294126120 /nfs/dbraw/zinc/12/61/20/1294126120.db2.gz OEBZWWVISJWBLS-YUTCNCBUSA-N 0 3 335.423 2.009 20 10 EECDHN O=C1c2ccccc2C(=O)c2c(O[C@H]3CCNC[C@@H]3F)ccc(O)c21 ZINC001218067116 1297561275 /nfs/dbraw/zinc/56/12/75/1297561275.db2.gz QZYGPGICXMUEQD-JSGCOSHPSA-N 0 3 341.338 2.246 20 10 EECDHN O=C1c2cccc(OC3CC4(CC[NH2+]4)C3)c2C(=O)c2cccc([O-])c21 ZINC001218248723 1297615034 /nfs/dbraw/zinc/61/50/34/1297615034.db2.gz LGTUGHXCWCRJRR-UHFFFAOYSA-N 0 3 335.359 2.441 20 10 EECDHN O=C1c2cccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)c2C(=O)c2cccc([O-])c21 ZINC001218330892 1297632571 /nfs/dbraw/zinc/63/25/71/1297632571.db2.gz OZVNTBYKEAQZGK-AKWBHNSASA-N 0 3 335.359 2.154 20 10 EECDHN COc1cc([O-])c(CN2CC3(C2)CC[N@H+](C)C3)c(Br)c1 ZINC001276818286 1298623213 /nfs/dbraw/zinc/62/32/13/1298623213.db2.gz VTWXLCDEYGANAE-UHFFFAOYSA-N 0 3 341.249 2.301 20 10 EECDHN COc1cc([O-])c(CN2CC3(C2)CC[N@@H+](C)C3)c(Br)c1 ZINC001276818286 1298623215 /nfs/dbraw/zinc/62/32/15/1298623215.db2.gz VTWXLCDEYGANAE-UHFFFAOYSA-N 0 3 341.249 2.301 20 10 EECDHN COc1ccc(N2CCC[C@@]3(CCN(CC(=O)N(C)C)C3)C2)cc1 ZINC001276924014 1300284667 /nfs/dbraw/zinc/28/46/67/1300284667.db2.gz BZABGXCEHAYTIM-IBGZPJMESA-N 0 3 331.460 2.076 20 10 EECDHN COCCN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001277445428 1303056648 /nfs/dbraw/zinc/05/66/48/1303056648.db2.gz FSYNQNOQJGLCPT-IDCJVQTKSA-N 0 3 332.444 2.001 20 10 EECDHN O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277446951 1303084398 /nfs/dbraw/zinc/08/43/98/1303084398.db2.gz WFJUKTWFLCVKJF-CRAIPNDOSA-N 0 3 330.403 2.175 20 10 EECDHN O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277446951 1303084405 /nfs/dbraw/zinc/08/44/05/1303084405.db2.gz WFJUKTWFLCVKJF-CRAIPNDOSA-N 0 3 330.403 2.175 20 10 EECDHN Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3nnco3)CC2)c([O-])c1 ZINC001277560419 1303909769 /nfs/dbraw/zinc/90/97/69/1303909769.db2.gz YKOODOVNBNSPSO-CQSZACIVSA-N 0 3 342.399 2.324 20 10 EECDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)N3C[C@@H](C)O[C@H](C)C3)C2)c(O)c1 ZINC001277567367 1303920180 /nfs/dbraw/zinc/92/01/80/1303920180.db2.gz GGKMZRJFDVLVTL-BFYDXBDKSA-N 0 3 344.455 2.158 20 10 EECDHN Cc1cc(C)c(CN2C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001231847324 1303930138 /nfs/dbraw/zinc/93/01/38/1303930138.db2.gz WNLCONWDVNPSTD-GOEBONIOSA-N 0 3 336.432 2.079 20 10 EECDHN C[C@H]1CN(Cc2cc(O)c(O)cc2O)CCC[C@@]1(O)C(F)(F)F ZINC001233483276 1304477142 /nfs/dbraw/zinc/47/71/42/1304477142.db2.gz TZRPFASVZLHFFJ-XPTSAGLGSA-N 0 3 335.322 2.329 20 10 EECDHN COc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c(Br)c1 ZINC001236059908 1305487285 /nfs/dbraw/zinc/48/72/85/1305487285.db2.gz JUSYPXYBWBLTQO-QWRGUYRKSA-N 0 3 341.249 2.347 20 10 EECDHN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001237121411 1305803949 /nfs/dbraw/zinc/80/39/49/1305803949.db2.gz MRIGQWDNOZPVHI-UHFFFAOYSA-N 0 3 328.815 2.481 20 10 EECDHN Cc1cccc(O)c1CN1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 ZINC001237486185 1305954951 /nfs/dbraw/zinc/95/49/51/1305954951.db2.gz WRXARMMXZWBDHF-CQSZACIVSA-N 0 3 336.432 2.114 20 10 EECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001237488905 1305956256 /nfs/dbraw/zinc/95/62/56/1305956256.db2.gz SCRZCIRRCGIZDE-UYAOXDASSA-N 0 3 344.455 2.208 20 10 EECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001237488905 1305956260 /nfs/dbraw/zinc/95/62/60/1305956260.db2.gz SCRZCIRRCGIZDE-UYAOXDASSA-N 0 3 344.455 2.208 20 10 EECDHN CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1c(C)cccc1[O-] ZINC001237495792 1305959317 /nfs/dbraw/zinc/95/93/17/1305959317.db2.gz VUVJIIFEUJQSLJ-UHFFFAOYSA-N 0 3 337.416 2.409 20 10 EECDHN Cc1ccc(C)n1-c1ccc(-c2noc(CNC(=O)[C@H](C)N)n2)cc1 ZINC001249070756 1310988828 /nfs/dbraw/zinc/98/88/28/1310988828.db2.gz WMSQQCFUFSVQBE-ZDUSSCGKSA-N 0 3 339.399 2.108 20 10 EECDHN O=C1NC[C@]2(CCCN(Cc3cc4c5c(c3)CCCN5CCC4)C2)O1 ZINC001141078184 1315037987 /nfs/dbraw/zinc/03/79/87/1315037987.db2.gz OAEGAIWYAYDKPR-FQEVSTJZSA-N 0 3 341.455 2.460 20 10 EECDHN Cc1cnc(O[C@@H]2CCN(Cc3ccc4c(c3)OCCN4C)C2)nc1 ZINC001141146299 1315050133 /nfs/dbraw/zinc/05/01/33/1315050133.db2.gz RHAPVYZVIPGBPG-MRXNPFEDSA-N 0 3 340.427 2.267 20 10 EECDHN O=C([C@@H]1CO[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1)N1CCCC1 ZINC001203552062 1321910348 /nfs/dbraw/zinc/91/03/48/1321910348.db2.gz YVCPRGYVGQHYAO-JENIJYKNSA-N 0 3 344.455 2.242 20 10 EECDHN O=C([C@@H]1CO[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]2C1)N1CCCC1 ZINC001203552062 1321910350 /nfs/dbraw/zinc/91/03/50/1321910350.db2.gz YVCPRGYVGQHYAO-JENIJYKNSA-N 0 3 344.455 2.242 20 10 EECDHN O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203552245 1321910742 /nfs/dbraw/zinc/91/07/42/1321910742.db2.gz GCZCMXXLAYTUKQ-KRWDZBQOSA-N 0 3 337.423 2.426 20 10 EECDHN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](CO)CN(C)C)c1 ZINC001261742216 1322170663 /nfs/dbraw/zinc/17/06/63/1322170663.db2.gz OHCMTBXGECWEKF-AWEZNQCLSA-N 0 3 349.862 2.400 20 10 EECDHN CN1CCN(Cc2ccc(N(CCO)c3ccc(N)cc3)cc2)CC1 ZINC001204747135 1322219610 /nfs/dbraw/zinc/21/96/10/1322219610.db2.gz LULZVWORKAUFQX-UHFFFAOYSA-N 0 3 340.471 2.147 20 10 EECDHN CCc1cccc(C[NH2+]C[C@@]([O-])(c2nccn2C)C(F)(F)F)c1O ZINC000848901340 1338800455 /nfs/dbraw/zinc/80/04/55/1338800455.db2.gz XZKONAKEEITPOR-OAHLLOKOSA-N 0 3 343.349 2.228 20 10 EECDHN COC[C@]1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCCCN1 ZINC001578976044 1344325969 /nfs/dbraw/zinc/32/59/69/1344325969.db2.gz YYZNBSHIBHIXKW-UZLBHIALSA-N 0 3 347.503 2.267 20 10 EECDHN CC[C@@H](C)C[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000400963941 1409773132 /nfs/dbraw/zinc/77/31/32/1409773132.db2.gz SMPQZFAAMSUSSZ-QAPCUYQASA-N 0 3 333.476 2.245 20 10 EECDHN CCNC(=O)C(C)(C)NCc1cc(Br)cc(OC)c1O ZINC000835075806 760043128 /nfs/dbraw/zinc/04/31/28/760043128.db2.gz BVEUFOHWMIBYTL-UHFFFAOYSA-N 0 3 345.237 2.168 20 10 EECDHN COc1ccc(CN2CCC(Oc3cnccn3)CC2)c(O)c1OC ZINC000894078240 780506420 /nfs/dbraw/zinc/50/64/20/780506420.db2.gz IFDYUJYSJCTXKI-UHFFFAOYSA-N 0 3 345.399 2.243 20 10 EECDHN COc1ccc(O)c(CN(C)CCn2cc(Br)cn2)c1 ZINC000809792606 783395977 /nfs/dbraw/zinc/39/59/77/783395977.db2.gz BRWMTOXAAKWPIJ-UHFFFAOYSA-N 0 3 340.221 2.492 20 10 EECDHN Cc1cc(O)c(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1C(C)C ZINC000793565287 810412886 /nfs/dbraw/zinc/41/28/86/810412886.db2.gz CMLNEIABHDQKEL-HNNXBMFYSA-N 0 3 340.489 2.290 20 10 EECDHN COc1ccc2ccc(O)c(CN3CC[C@@H](CS(C)(=O)=O)C3)c2c1 ZINC000793699396 810490349 /nfs/dbraw/zinc/49/03/49/810490349.db2.gz POUXJCGLMNEDNC-CYBMUJFWSA-N 0 3 349.452 2.421 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](CS(C)(=O)=O)C3)c2c1 ZINC000793699396 810490353 /nfs/dbraw/zinc/49/03/53/810490353.db2.gz POUXJCGLMNEDNC-CYBMUJFWSA-N 0 3 349.452 2.421 20 10 EECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](CS(C)(=O)=O)C3)c2c1 ZINC000793699396 810490359 /nfs/dbraw/zinc/49/03/59/810490359.db2.gz POUXJCGLMNEDNC-CYBMUJFWSA-N 0 3 349.452 2.421 20 10 EECDHN