smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863485051 1296302709 /nfs/dbraw/zinc/30/27/09/1296302709.db2.gz SIOWBBDIRSHBSO-SKDRFNHKSA-N 2 2 329.238 2.393 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2F)CC1 ZINC001329433114 1334649371 /nfs/dbraw/zinc/64/93/71/1334649371.db2.gz LMZCSZVKIVAOKB-FQEVSTJZSA-N 3 2 346.494 2.153 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2F)CC1 ZINC001329433114 1334649375 /nfs/dbraw/zinc/64/93/75/1334649375.db2.gz LMZCSZVKIVAOKB-FQEVSTJZSA-N 3 2 346.494 2.153 10 10 EECELP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000089787902 462719161 /nfs/dbraw/zinc/71/91/61/462719161.db2.gz BMVDGRQLAAICGT-QGZVFWFLSA-N 2 2 326.444 2.387 10 10 EECELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1O ZINC000757658114 577861993 /nfs/dbraw/zinc/86/19/93/577861993.db2.gz VAIHZKNQPNODPL-SWLSCSKDSA-N 2 2 346.406 2.107 10 10 EECELP COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C ZINC001317597058 1332317048 /nfs/dbraw/zinc/31/70/48/1332317048.db2.gz AEOWASCAXFMVLL-HZPDHXFCSA-N 2 2 342.443 2.078 10 10 EECELP COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C ZINC001317597058 1332317052 /nfs/dbraw/zinc/31/70/52/1332317052.db2.gz AEOWASCAXFMVLL-HZPDHXFCSA-N 2 2 342.443 2.078 10 10 EECELP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000191330477 529151228 /nfs/dbraw/zinc/15/12/28/529151228.db2.gz BOEXHKUTQPSWKJ-CYBMUJFWSA-N 2 2 341.858 2.397 10 10 EECELP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000191330477 529151229 /nfs/dbraw/zinc/15/12/29/529151229.db2.gz BOEXHKUTQPSWKJ-CYBMUJFWSA-N 2 2 341.858 2.397 10 10 EECELP Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980087 1242841747 /nfs/dbraw/zinc/84/17/47/1242841747.db2.gz GXFZKYJVKBLHDJ-CALCHBBNSA-N 2 2 335.879 2.446 10 10 EECELP Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980087 1242841761 /nfs/dbraw/zinc/84/17/61/1242841761.db2.gz GXFZKYJVKBLHDJ-CALCHBBNSA-N 2 2 335.879 2.446 10 10 EECELP Oc1c(Br)cccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955262 1242700255 /nfs/dbraw/zinc/70/02/55/1242700255.db2.gz OAOFZKSWNJEEHE-JTQLQIEISA-N 2 2 335.192 2.489 10 10 EECELP COc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000850487826 1277244461 /nfs/dbraw/zinc/24/44/61/1277244461.db2.gz PKLQIWFXIOLYNA-PKOBYXMFSA-N 2 2 345.487 2.117 10 10 EECELP COc1c(O)c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959263 1331618093 /nfs/dbraw/zinc/61/80/93/1331618093.db2.gz DDOKFPQUNITBIU-QGZVFWFLSA-N 2 2 335.404 2.275 10 10 EECELP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(O)c1 ZINC000757657809 577862029 /nfs/dbraw/zinc/86/20/29/577862029.db2.gz QZIGTHWNGOGTNR-GOEBONIOSA-N 2 2 342.443 2.276 10 10 EECELP CCOc1ccc(O)c(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000092079767 237034927 /nfs/dbraw/zinc/03/49/27/237034927.db2.gz TWMXRKBAWQYGML-OAHLLOKOSA-N 2 2 334.460 2.476 10 10 EECELP CCOc1ccc(O)c(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000092079767 237034936 /nfs/dbraw/zinc/03/49/36/237034936.db2.gz TWMXRKBAWQYGML-OAHLLOKOSA-N 2 2 334.460 2.476 10 10 EECELP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1C ZINC001485177268 1191677774 /nfs/dbraw/zinc/67/77/74/1191677774.db2.gz NUPPZCJXBWAWSA-HZPDHXFCSA-N 2 2 344.459 2.273 10 10 EECELP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000925843864 1206159361 /nfs/dbraw/zinc/15/93/61/1206159361.db2.gz HBVUGPXJOSSHSV-CYBMUJFWSA-N 2 2 327.419 2.397 10 10 EECELP Oc1cc2c(cc1C[N@@H+]1CC[C@H](CNc3cccc[nH+]3)C1)OCO2 ZINC000092812866 534449198 /nfs/dbraw/zinc/44/91/98/534449198.db2.gz NKZVMSHQENMDIK-CYBMUJFWSA-N 2 2 327.384 2.450 10 10 EECELP Oc1cc2c(cc1C[N@H+]1CC[C@H](CNc3cccc[nH+]3)C1)OCO2 ZINC000092812866 534449206 /nfs/dbraw/zinc/44/92/06/534449206.db2.gz NKZVMSHQENMDIK-CYBMUJFWSA-N 2 2 327.384 2.450 10 10 EECELP C/C=C\C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC ZINC000763360183 577719810 /nfs/dbraw/zinc/71/98/10/577719810.db2.gz BASAZHWOIBCPFS-GJEJWFRCSA-N 2 2 345.487 2.426 10 10 EECELP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000089787901 462719405 /nfs/dbraw/zinc/71/94/05/462719405.db2.gz BMVDGRQLAAICGT-KRWDZBQOSA-N 2 2 326.444 2.387 10 10 EECELP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CCCC3(C)C)CC2)cc1 ZINC000754028766 577798884 /nfs/dbraw/zinc/79/88/84/577798884.db2.gz AQDFURORQNKYSH-GOSISDBHSA-N 2 2 347.503 2.053 10 10 EECELP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CCCC3(C)C)CC2)cc1 ZINC000754028766 577798885 /nfs/dbraw/zinc/79/88/85/577798885.db2.gz AQDFURORQNKYSH-GOSISDBHSA-N 2 2 347.503 2.053 10 10 EECELP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cc(F)c1O ZINC000863544734 690718036 /nfs/dbraw/zinc/71/80/36/690718036.db2.gz ABNZTUBSDZESKJ-SECBINFHSA-N 2 2 335.217 2.310 10 10 EECELP COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001480547367 1100380668 /nfs/dbraw/zinc/38/06/68/1100380668.db2.gz ZRUGCATWCDRQQC-HZPDHXFCSA-N 2 2 344.459 2.446 10 10 EECELP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c(O)c1 ZINC000761226412 577679804 /nfs/dbraw/zinc/67/98/04/577679804.db2.gz PTXTXCPFILIZRS-UHFFFAOYSA-N 2 2 328.416 2.212 10 10 EECELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(F)ccc1O ZINC000757655812 577861969 /nfs/dbraw/zinc/86/19/69/577861969.db2.gz LBOCACOYLKVTTQ-WFASDCNBSA-N 2 2 346.406 2.107 10 10 EECELP COC[C@@H](C)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000187625590 678721853 /nfs/dbraw/zinc/72/18/53/678721853.db2.gz JNLUQRDCFGBLFN-KRWDZBQOSA-N 2 2 335.492 2.079 10 10 EECELP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000863544023 1296328444 /nfs/dbraw/zinc/32/84/44/1296328444.db2.gz ITCOFYMMKWUYOM-SECBINFHSA-N 2 2 335.217 2.180 10 10 EECELP CCC1([NH3+])CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001350647556 1337731437 /nfs/dbraw/zinc/73/14/37/1337731437.db2.gz RZNICTJRIPJHEM-UHFFFAOYSA-N 3 2 334.483 2.281 10 10 EECELP c1cn(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cn2)c[nH+]1 ZINC000048364065 462901579 /nfs/dbraw/zinc/90/15/79/462901579.db2.gz KLUFQVXEOZWJKB-UHFFFAOYSA-N 2 2 349.438 2.394 10 10 EECELP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294480559 464512991 /nfs/dbraw/zinc/51/29/91/464512991.db2.gz AMADXLYUPPNCRS-GFCCVEGCSA-N 2 2 329.847 2.300 10 10 EECELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(F)ccc1O ZINC000757655802 577861895 /nfs/dbraw/zinc/86/18/95/577861895.db2.gz LBOCACOYLKVTTQ-IUODEOHRSA-N 2 2 346.406 2.107 10 10 EECELP OC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000925715001 1206145636 /nfs/dbraw/zinc/14/56/36/1206145636.db2.gz BBPFOXPXIANDMW-IBGZPJMESA-N 2 2 329.488 2.412 10 10 EECELP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840889378 682705575 /nfs/dbraw/zinc/70/55/75/682705575.db2.gz FZLPJJXXLKXDPB-CYBMUJFWSA-N 2 2 339.867 2.031 10 10 EECELP Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840889378 682705580 /nfs/dbraw/zinc/70/55/80/682705580.db2.gz FZLPJJXXLKXDPB-CYBMUJFWSA-N 2 2 339.867 2.031 10 10 EECELP COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043961 1315827267 /nfs/dbraw/zinc/82/72/67/1315827267.db2.gz DUIBYEOZHBQNBB-OCCSQVGLSA-N 2 2 335.404 2.273 10 10 EECELP COc1c(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043961 1315827270 /nfs/dbraw/zinc/82/72/70/1315827270.db2.gz DUIBYEOZHBQNBB-OCCSQVGLSA-N 2 2 335.404 2.273 10 10 EECELP O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[N@@H+]1CCc2ccccc2C1 ZINC000054174625 214222145 /nfs/dbraw/zinc/22/21/45/214222145.db2.gz OTTJRWDOEIMTHP-FQEVSTJZSA-N 2 2 338.451 2.130 10 10 EECELP O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[N@H+]1CCc2ccccc2C1 ZINC000054174625 214222148 /nfs/dbraw/zinc/22/21/48/214222148.db2.gz OTTJRWDOEIMTHP-FQEVSTJZSA-N 2 2 338.451 2.130 10 10 EECELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000177056967 464918422 /nfs/dbraw/zinc/91/84/22/464918422.db2.gz PZOQSSPRSCGHFS-VQIMIIECSA-N 2 2 346.519 2.126 10 10 EECELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000177056967 464918430 /nfs/dbraw/zinc/91/84/30/464918430.db2.gz PZOQSSPRSCGHFS-VQIMIIECSA-N 2 2 346.519 2.126 10 10 EECELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000177056967 464918437 /nfs/dbraw/zinc/91/84/37/464918437.db2.gz PZOQSSPRSCGHFS-VQIMIIECSA-N 2 2 346.519 2.126 10 10 EECELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000177056967 464918441 /nfs/dbraw/zinc/91/84/41/464918441.db2.gz PZOQSSPRSCGHFS-VQIMIIECSA-N 2 2 346.519 2.126 10 10 EECELP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1C ZINC001485177266 1191677648 /nfs/dbraw/zinc/67/76/48/1191677648.db2.gz NUPPZCJXBWAWSA-CVEARBPZSA-N 2 2 344.459 2.273 10 10 EECELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Br)cc(F)c1O ZINC000863542495 1296327003 /nfs/dbraw/zinc/32/70/03/1296327003.db2.gz WBBQVWYVGLVJGC-SECBINFHSA-N 2 2 347.228 2.452 10 10 EECELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915921 785068979 /nfs/dbraw/zinc/06/89/79/785068979.db2.gz BIJWAKXZHUKSFG-UWJYYQICSA-N 3 2 342.531 2.306 10 10 EECELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000862536665 1295870267 /nfs/dbraw/zinc/87/02/67/1295870267.db2.gz RFJAHGLPLYUDGX-UHFFFAOYSA-N 2 2 334.460 2.478 10 10 EECELP c1snnc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000776252753 577455707 /nfs/dbraw/zinc/45/57/07/577455707.db2.gz XIPJHMHMTYVKPP-UHFFFAOYSA-N 2 2 343.500 2.360 10 10 EECELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(F)ccc1O ZINC000757655806 577861871 /nfs/dbraw/zinc/86/18/71/577861871.db2.gz LBOCACOYLKVTTQ-SWLSCSKDSA-N 2 2 346.406 2.107 10 10 EECELP Cc1nc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)cc[nH+]1 ZINC000758979366 577634742 /nfs/dbraw/zinc/63/47/42/577634742.db2.gz AOOIQTJOWPNZGO-UHFFFAOYSA-N 2 2 335.411 2.361 10 10 EECELP Cc1cc(C)n2c(C[NH2+]C[C@H]([NH3+])c3ccc(N(C)C)cc3)cnc2n1 ZINC000841045679 1315461883 /nfs/dbraw/zinc/46/18/83/1315461883.db2.gz OCENDMVFPBREEA-SFHVURJKSA-N 2 2 338.459 2.202 10 10 EECELP CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000753572162 577790159 /nfs/dbraw/zinc/79/01/59/577790159.db2.gz RIPCQZCBKRBKDO-LJQANCHMSA-N 2 2 345.487 2.260 10 10 EECELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000756098103 577838389 /nfs/dbraw/zinc/83/83/89/577838389.db2.gz FHRKEVKKWUXWPM-LUXYFRNMSA-N 2 2 335.467 2.479 10 10 EECELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000756098103 577838390 /nfs/dbraw/zinc/83/83/90/577838390.db2.gz FHRKEVKKWUXWPM-LUXYFRNMSA-N 2 2 335.467 2.479 10 10 EECELP C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CN1CC[NH+](C)CC1 ZINC000293609128 464414719 /nfs/dbraw/zinc/41/47/19/464414719.db2.gz LRTPSLOMVYKTFU-GFCCVEGCSA-N 2 2 329.847 2.158 10 10 EECELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000775717899 577443625 /nfs/dbraw/zinc/44/36/25/577443625.db2.gz UGWHBBMBZTUQDE-YLJYHZDGSA-N 3 2 330.520 2.353 10 10 EECELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000775717899 577443626 /nfs/dbraw/zinc/44/36/26/577443626.db2.gz UGWHBBMBZTUQDE-YLJYHZDGSA-N 3 2 330.520 2.353 10 10 EECELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C ZINC000775717899 577443627 /nfs/dbraw/zinc/44/36/27/577443627.db2.gz UGWHBBMBZTUQDE-YLJYHZDGSA-N 3 2 330.520 2.353 10 10 EECELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C ZINC000775717899 577443628 /nfs/dbraw/zinc/44/36/28/577443628.db2.gz UGWHBBMBZTUQDE-YLJYHZDGSA-N 3 2 330.520 2.353 10 10 EECELP CN(C)c1ccc(/C=C/C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827699462 1248654957 /nfs/dbraw/zinc/65/49/57/1248654957.db2.gz HQMQOSRRWPVZDF-WUUFJKRQSA-N 2 2 329.488 2.297 10 10 EECELP CN(C)c1ccc(/C=C/C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827699462 1248654970 /nfs/dbraw/zinc/65/49/70/1248654970.db2.gz HQMQOSRRWPVZDF-WUUFJKRQSA-N 2 2 329.488 2.297 10 10 EECELP COc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O ZINC000121224594 463101318 /nfs/dbraw/zinc/10/13/18/463101318.db2.gz BJYBPAYDIVURGE-UHFFFAOYSA-N 2 2 344.459 2.194 10 10 EECELP COc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O ZINC000121224594 463101325 /nfs/dbraw/zinc/10/13/25/463101325.db2.gz BJYBPAYDIVURGE-UHFFFAOYSA-N 2 2 344.459 2.194 10 10 EECELP Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000757656937 577862005 /nfs/dbraw/zinc/86/20/05/577862005.db2.gz PPMANOJFNXDIDZ-HOCLYGCPSA-N 2 2 342.443 2.276 10 10 EECELP COC[C@H](C)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000187625605 678725153 /nfs/dbraw/zinc/72/51/53/678725153.db2.gz JNLUQRDCFGBLFN-QGZVFWFLSA-N 2 2 335.492 2.079 10 10 EECELP COc1c(O)c(C[NH2+]CCC[N@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000845996517 790028952 /nfs/dbraw/zinc/02/89/52/790028952.db2.gz PWFVPEKSDVQPBG-UHFFFAOYSA-N 2 2 325.409 2.377 10 10 EECELP COc1c(O)c(C[NH2+]CCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000845996517 790028957 /nfs/dbraw/zinc/02/89/57/790028957.db2.gz PWFVPEKSDVQPBG-UHFFFAOYSA-N 2 2 325.409 2.377 10 10 EECELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1 ZINC000328634053 258026297 /nfs/dbraw/zinc/02/62/97/258026297.db2.gz MLMVNKCPPSAMOK-QFBILLFUSA-N 2 2 326.444 2.422 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)cc2F)CC1 ZINC000925561105 1206128237 /nfs/dbraw/zinc/12/82/37/1206128237.db2.gz YQOKRZOIMQYQFC-OALUTQOASA-N 3 2 346.494 2.327 10 10 EECELP COc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863485049 1296301916 /nfs/dbraw/zinc/30/19/16/1296301916.db2.gz SIOWBBDIRSHBSO-CABZTGNLSA-N 2 2 329.238 2.393 10 10 EECELP COc1cc(Br)cc(C[NH2+][C@H]2CCCC[NH2+]C2)c1O ZINC000841090341 1315473142 /nfs/dbraw/zinc/47/31/42/1315473142.db2.gz OEFIBDWAMBWVGM-LBPRGKRZSA-N 2 2 329.238 2.395 10 10 EECELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298026697 465278016 /nfs/dbraw/zinc/27/80/16/465278016.db2.gz BEBMEAXMDYAEFZ-LPHOPBHVSA-N 2 2 346.519 2.031 10 10 EECELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298026697 465278021 /nfs/dbraw/zinc/27/80/21/465278021.db2.gz BEBMEAXMDYAEFZ-LPHOPBHVSA-N 2 2 346.519 2.031 10 10 EECELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298026697 465278027 /nfs/dbraw/zinc/27/80/27/465278027.db2.gz BEBMEAXMDYAEFZ-LPHOPBHVSA-N 2 2 346.519 2.031 10 10 EECELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298026697 465278030 /nfs/dbraw/zinc/27/80/30/465278030.db2.gz BEBMEAXMDYAEFZ-LPHOPBHVSA-N 2 2 346.519 2.031 10 10 EECELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000097135214 463332193 /nfs/dbraw/zinc/33/21/93/463332193.db2.gz VUBWARKOHLZAJV-UHFFFAOYSA-N 2 2 343.383 2.231 10 10 EECELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000097135214 463332197 /nfs/dbraw/zinc/33/21/97/463332197.db2.gz VUBWARKOHLZAJV-UHFFFAOYSA-N 2 2 343.383 2.231 10 10 EECELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000163364641 463582771 /nfs/dbraw/zinc/58/27/71/463582771.db2.gz OYHRWNAEKLBPQL-LJQANCHMSA-N 2 2 347.503 2.364 10 10 EECELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000163364641 463582776 /nfs/dbraw/zinc/58/27/76/463582776.db2.gz OYHRWNAEKLBPQL-LJQANCHMSA-N 2 2 347.503 2.364 10 10 EECELP CC[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O ZINC000775551010 577439311 /nfs/dbraw/zinc/43/93/11/577439311.db2.gz GAPHALYEOUIGMQ-HOTGVXAUSA-N 2 2 342.443 2.358 10 10 EECELP COc1ccc([NH+]2CCC(NC(=O)N[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000726707960 576290163 /nfs/dbraw/zinc/29/01/63/576290163.db2.gz IHOWZNZDHFLJAS-INIZCTEOSA-N 2 2 346.475 2.057 10 10 EECELP COc1ccc([NH+]2CCC(NC(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000726707960 576290167 /nfs/dbraw/zinc/29/01/67/576290167.db2.gz IHOWZNZDHFLJAS-INIZCTEOSA-N 2 2 346.475 2.057 10 10 EECELP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1C ZINC001485177267 1191677589 /nfs/dbraw/zinc/67/75/89/1191677589.db2.gz NUPPZCJXBWAWSA-HOTGVXAUSA-N 2 2 344.459 2.273 10 10 EECELP CC[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CO1 ZINC000850013620 1276991963 /nfs/dbraw/zinc/99/19/63/1276991963.db2.gz KIIWNEFZIAZOSD-HKUYNNGSSA-N 2 2 347.503 2.364 10 10 EECELP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000843129107 1315849772 /nfs/dbraw/zinc/84/97/72/1315849772.db2.gz REMGJTQYYNNLAT-LJQANCHMSA-N 3 2 328.504 2.203 10 10 EECELP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C ZINC001668287561 1355915773 /nfs/dbraw/zinc/91/57/73/1355915773.db2.gz AFVUIEFNVNSYCU-AWEZNQCLSA-N 2 2 344.459 2.262 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[N@H+](C)C[C@H]3C)cc2F)CC1 ZINC000756117885 577838723 /nfs/dbraw/zinc/83/87/23/577838723.db2.gz BGAGEBWUEUVPNY-QAPCUYQASA-N 3 2 334.483 2.007 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)cc2F)CC1 ZINC000756117885 577838724 /nfs/dbraw/zinc/83/87/24/577838724.db2.gz BGAGEBWUEUVPNY-QAPCUYQASA-N 3 2 334.483 2.007 10 10 EECELP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C(C)(C)CO)CC2)cc1 ZINC000924578869 681974543 /nfs/dbraw/zinc/97/45/43/681974543.db2.gz CYDLWCZKPCDBJK-QGZVFWFLSA-N 2 2 349.519 2.204 10 10 EECELP CN(C)c1ccc(/C=C\C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699463 1248656410 /nfs/dbraw/zinc/65/64/10/1248656410.db2.gz HQMQOSRRWPVZDF-XQQSMPNESA-N 2 2 329.488 2.297 10 10 EECELP CN(C)c1ccc(/C=C\C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699463 1248656424 /nfs/dbraw/zinc/65/64/24/1248656424.db2.gz HQMQOSRRWPVZDF-XQQSMPNESA-N 2 2 329.488 2.297 10 10 EECELP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817917802 785068814 /nfs/dbraw/zinc/06/88/14/785068814.db2.gz SQTBKQJBYXZYHP-DYESRHJHSA-N 3 2 342.531 2.449 10 10 EECELP COc1c(O)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000278294548 463960980 /nfs/dbraw/zinc/96/09/80/463960980.db2.gz VHHBTPYVVWWGDN-UHFFFAOYSA-N 2 2 332.360 2.412 10 10 EECELP CC[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O ZINC000775551012 577439324 /nfs/dbraw/zinc/43/93/24/577439324.db2.gz GAPHALYEOUIGMQ-JKSUJKDBSA-N 2 2 342.443 2.358 10 10 EECELP Oc1c(Br)cccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955263 1242700937 /nfs/dbraw/zinc/70/09/37/1242700937.db2.gz OAOFZKSWNJEEHE-SNVBAGLBSA-N 2 2 335.192 2.489 10 10 EECELP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000191330490 529152476 /nfs/dbraw/zinc/15/24/76/529152476.db2.gz BOEXHKUTQPSWKJ-ZDUSSCGKSA-N 2 2 341.858 2.397 10 10 EECELP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000191330490 529152477 /nfs/dbraw/zinc/15/24/77/529152477.db2.gz BOEXHKUTQPSWKJ-ZDUSSCGKSA-N 2 2 341.858 2.397 10 10 EECELP CC[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O ZINC000775551011 577439305 /nfs/dbraw/zinc/43/93/05/577439305.db2.gz GAPHALYEOUIGMQ-HZPDHXFCSA-N 2 2 342.443 2.358 10 10 EECELP Oc1cc2c(cc1C[NH2+]C1CCN(c3cccc[nH+]3)CC1)OCO2 ZINC000063255952 462635398 /nfs/dbraw/zinc/63/53/98/462635398.db2.gz DMMUFCQCESFTEG-UHFFFAOYSA-N 2 2 327.384 2.275 10 10 EECELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1 ZINC000278229515 463958291 /nfs/dbraw/zinc/95/82/91/463958291.db2.gz MOGSSKGQTPZUMS-JSGCOSHPSA-N 2 2 337.420 2.471 10 10 EECELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1 ZINC000278229515 463958295 /nfs/dbraw/zinc/95/82/95/463958295.db2.gz MOGSSKGQTPZUMS-JSGCOSHPSA-N 2 2 337.420 2.471 10 10 EECELP COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001480547364 1100380882 /nfs/dbraw/zinc/38/08/82/1100380882.db2.gz ZRUGCATWCDRQQC-CVEARBPZSA-N 2 2 344.459 2.446 10 10 EECELP CCOc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1O ZINC000184766212 465024618 /nfs/dbraw/zinc/02/46/18/465024618.db2.gz LTOXRZVTCPHACZ-UHFFFAOYSA-N 2 2 328.416 2.212 10 10 EECELP C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CN1CC[NH+](C)CC1 ZINC000293609131 464414474 /nfs/dbraw/zinc/41/44/74/464414474.db2.gz LRTPSLOMVYKTFU-LBPRGKRZSA-N 2 2 329.847 2.158 10 10 EECELP Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(O)c1 ZINC000757657813 577862032 /nfs/dbraw/zinc/86/20/32/577862032.db2.gz QZIGTHWNGOGTNR-HOCLYGCPSA-N 2 2 342.443 2.276 10 10 EECELP COc1c(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043958 1315827413 /nfs/dbraw/zinc/82/74/13/1315827413.db2.gz DUIBYEOZHBQNBB-GXTWGEPZSA-N 2 2 335.404 2.273 10 10 EECELP COc1c(O)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043958 1315827416 /nfs/dbraw/zinc/82/74/16/1315827416.db2.gz DUIBYEOZHBQNBB-GXTWGEPZSA-N 2 2 335.404 2.273 10 10 EECELP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C ZINC001668287565 1355915852 /nfs/dbraw/zinc/91/58/52/1355915852.db2.gz AFVUIEFNVNSYCU-CQSZACIVSA-N 2 2 344.459 2.262 10 10 EECELP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C ZINC001669321092 1356145036 /nfs/dbraw/zinc/14/50/36/1356145036.db2.gz XMQTYGTWPWPWGK-FVQBIDKESA-N 2 2 342.443 2.125 10 10 EECELP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C ZINC001669321092 1356145038 /nfs/dbraw/zinc/14/50/38/1356145038.db2.gz XMQTYGTWPWPWGK-FVQBIDKESA-N 2 2 342.443 2.125 10 10 EECELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000775717896 577443599 /nfs/dbraw/zinc/44/35/99/577443599.db2.gz UGWHBBMBZTUQDE-FXAWDEMLSA-N 3 2 330.520 2.353 10 10 EECELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000775717896 577443600 /nfs/dbraw/zinc/44/36/00/577443600.db2.gz UGWHBBMBZTUQDE-FXAWDEMLSA-N 3 2 330.520 2.353 10 10 EECELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C ZINC000775717896 577443601 /nfs/dbraw/zinc/44/36/01/577443601.db2.gz UGWHBBMBZTUQDE-FXAWDEMLSA-N 3 2 330.520 2.353 10 10 EECELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C ZINC000775717896 577443602 /nfs/dbraw/zinc/44/36/02/577443602.db2.gz UGWHBBMBZTUQDE-FXAWDEMLSA-N 3 2 330.520 2.353 10 10 EECELP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)c(F)cc1O ZINC000294096764 464432189 /nfs/dbraw/zinc/43/21/89/464432189.db2.gz ZXZZAEKCVOBNGK-UHFFFAOYSA-N 2 2 329.847 2.254 10 10 EECELP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)c(F)cc1O ZINC000294096764 464432193 /nfs/dbraw/zinc/43/21/93/464432193.db2.gz ZXZZAEKCVOBNGK-UHFFFAOYSA-N 2 2 329.847 2.254 10 10 EECELP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000295323521 464789875 /nfs/dbraw/zinc/78/98/75/464789875.db2.gz LMFYMTHNBCVLSP-CQSZACIVSA-N 2 2 341.858 2.397 10 10 EECELP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000295323521 464789877 /nfs/dbraw/zinc/78/98/77/464789877.db2.gz LMFYMTHNBCVLSP-CQSZACIVSA-N 2 2 341.858 2.397 10 10 EECELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669174 577560594 /nfs/dbraw/zinc/56/05/94/577560594.db2.gz DYEWMWOCIRTBPX-UTKZUKDTSA-N 3 2 342.531 2.258 10 10 EECELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669174 577560595 /nfs/dbraw/zinc/56/05/95/577560595.db2.gz DYEWMWOCIRTBPX-UTKZUKDTSA-N 3 2 342.531 2.258 10 10 EECELP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001275361772 1205320918 /nfs/dbraw/zinc/32/09/18/1205320918.db2.gz XRYNAAAUBFKWRN-GJZGRUSLSA-N 2 2 344.459 2.200 10 10 EECELP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001275361772 1205320920 /nfs/dbraw/zinc/32/09/20/1205320920.db2.gz XRYNAAAUBFKWRN-GJZGRUSLSA-N 2 2 344.459 2.200 10 10 EECELP COc1cc(C)cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1O ZINC000530106495 467951205 /nfs/dbraw/zinc/95/12/05/467951205.db2.gz XOWQCJQOYKSJGD-UHFFFAOYSA-N 2 2 334.460 2.396 10 10 EECELP CCOc1ccc(O)c(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000184765304 465024663 /nfs/dbraw/zinc/02/46/63/465024663.db2.gz VOTNZMNACWXRLZ-UHFFFAOYSA-N 2 2 328.416 2.212 10 10 EECELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298026706 465278547 /nfs/dbraw/zinc/27/85/47/465278547.db2.gz BEBMEAXMDYAEFZ-VQIMIIECSA-N 2 2 346.519 2.031 10 10 EECELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298026706 465278554 /nfs/dbraw/zinc/27/85/54/465278554.db2.gz BEBMEAXMDYAEFZ-VQIMIIECSA-N 2 2 346.519 2.031 10 10 EECELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298026706 465278560 /nfs/dbraw/zinc/27/85/60/465278560.db2.gz BEBMEAXMDYAEFZ-VQIMIIECSA-N 2 2 346.519 2.031 10 10 EECELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298026706 465278564 /nfs/dbraw/zinc/27/85/64/465278564.db2.gz BEBMEAXMDYAEFZ-VQIMIIECSA-N 2 2 346.519 2.031 10 10 EECELP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925632233 1206137626 /nfs/dbraw/zinc/13/76/26/1206137626.db2.gz VRRPZDOCGQGUQN-HXUWFJFHSA-N 3 2 342.531 2.449 10 10 EECELP COc1cc(Br)cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059273 1315465644 /nfs/dbraw/zinc/46/56/44/1315465644.db2.gz OZEYZLJSSGAVAF-BXKDBHETSA-N 2 2 329.238 2.251 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOCC4(CC4)C3)cc2F)CC1 ZINC001325202242 1333847118 /nfs/dbraw/zinc/84/71/18/1333847118.db2.gz VSXAJIKCNRYWSF-UHFFFAOYSA-N 2 2 333.451 2.190 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC4(CC4)C3)cc2F)CC1 ZINC001325202242 1333847121 /nfs/dbraw/zinc/84/71/21/1333847121.db2.gz VSXAJIKCNRYWSF-UHFFFAOYSA-N 2 2 333.451 2.190 10 10 EECELP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2F)CC1 ZINC001344070376 1337364173 /nfs/dbraw/zinc/36/41/73/1337364173.db2.gz RDKHBKKZRNFUGH-INIZCTEOSA-N 2 2 329.423 2.009 10 10 EECELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)C1 ZINC000278229519 463958533 /nfs/dbraw/zinc/95/85/33/463958533.db2.gz MOGSSKGQTPZUMS-OCCSQVGLSA-N 2 2 337.420 2.471 10 10 EECELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)C1 ZINC000278229519 463958537 /nfs/dbraw/zinc/95/85/37/463958537.db2.gz MOGSSKGQTPZUMS-OCCSQVGLSA-N 2 2 337.420 2.471 10 10 EECELP COc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000850487823 1277245026 /nfs/dbraw/zinc/24/50/26/1277245026.db2.gz PKLQIWFXIOLYNA-HKUYNNGSSA-N 2 2 345.487 2.117 10 10 EECELP CCN(CC)[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001339602817 1337036056 /nfs/dbraw/zinc/03/60/56/1337036056.db2.gz BHINKUWIBWZUDF-MRXNPFEDSA-N 2 2 336.499 2.397 10 10 EECELP CC[NH+](CC)[C@H](C)CNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001339602817 1337036059 /nfs/dbraw/zinc/03/60/59/1337036059.db2.gz BHINKUWIBWZUDF-MRXNPFEDSA-N 2 2 336.499 2.397 10 10 EECELP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cc1[nH]c[nH+]c1C ZINC001568794479 1124807983 /nfs/dbraw/zinc/80/79/83/1124807983.db2.gz ZUJHZNYPIFEPLQ-UHFFFAOYSA-N 2 2 344.459 2.216 10 10 EECELP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001275361771 1205320870 /nfs/dbraw/zinc/32/08/70/1205320870.db2.gz XRYNAAAUBFKWRN-CABCVRRESA-N 2 2 344.459 2.200 10 10 EECELP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001275361771 1205320872 /nfs/dbraw/zinc/32/08/72/1205320872.db2.gz XRYNAAAUBFKWRN-CABCVRRESA-N 2 2 344.459 2.200 10 10 EECELP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001569021029 1125047833 /nfs/dbraw/zinc/04/78/33/1125047833.db2.gz PRTJSOLWEFPXMN-HZPDHXFCSA-N 2 2 344.459 2.446 10 10 EECELP Oc1cc(F)c(Cl)cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000295010644 464678232 /nfs/dbraw/zinc/67/82/32/464678232.db2.gz VNTVYTNLAQLDLG-UHFFFAOYSA-N 2 2 341.858 2.398 10 10 EECELP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C ZINC001266948652 1177874772 /nfs/dbraw/zinc/87/47/72/1177874772.db2.gz FOZVXZIEPZVCMU-FVQBIDKESA-N 2 2 342.443 2.125 10 10 EECELP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C ZINC001266948652 1177874779 /nfs/dbraw/zinc/87/47/79/1177874779.db2.gz FOZVXZIEPZVCMU-FVQBIDKESA-N 2 2 342.443 2.125 10 10 EECELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1 ZINC000278229511 463957185 /nfs/dbraw/zinc/95/71/85/463957185.db2.gz MOGSSKGQTPZUMS-GXTWGEPZSA-N 2 2 337.420 2.471 10 10 EECELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1 ZINC000278229511 463957191 /nfs/dbraw/zinc/95/71/91/463957191.db2.gz MOGSSKGQTPZUMS-GXTWGEPZSA-N 2 2 337.420 2.471 10 10 EECELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000188418174 464275222 /nfs/dbraw/zinc/27/52/22/464275222.db2.gz HUQPCRNCSSANQH-IBGZPJMESA-N 2 2 326.444 2.384 10 10 EECELP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000188418174 464275227 /nfs/dbraw/zinc/27/52/27/464275227.db2.gz HUQPCRNCSSANQH-IBGZPJMESA-N 2 2 326.444 2.384 10 10 EECELP COc1c(O)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000369537309 466736904 /nfs/dbraw/zinc/73/69/04/466736904.db2.gz PKJKZSKZSRUAII-UHFFFAOYSA-N 2 2 335.404 2.416 10 10 EECELP CCOC(=O)[C@H](CC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000753572159 577790134 /nfs/dbraw/zinc/79/01/34/577790134.db2.gz RIPCQZCBKRBKDO-IBGZPJMESA-N 2 2 345.487 2.260 10 10 EECELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@@H](C)[C@H]3C)CC2)cc1 ZINC000924579544 1205999238 /nfs/dbraw/zinc/99/92/38/1205999238.db2.gz KUOQGRVEQZLUGM-FUHIMQAGSA-N 2 2 347.503 2.220 10 10 EECELP COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043963 1315827539 /nfs/dbraw/zinc/82/75/39/1315827539.db2.gz DUIBYEOZHBQNBB-TZMCWYRMSA-N 2 2 335.404 2.273 10 10 EECELP COc1c(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043963 1315827541 /nfs/dbraw/zinc/82/75/41/1315827541.db2.gz DUIBYEOZHBQNBB-TZMCWYRMSA-N 2 2 335.404 2.273 10 10 EECELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C ZINC001320508555 1332900171 /nfs/dbraw/zinc/90/01/71/1332900171.db2.gz BAUVQDKZXMRZNT-SJLPKXTDSA-N 3 2 348.510 2.492 10 10 EECELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C ZINC001320508555 1332900175 /nfs/dbraw/zinc/90/01/75/1332900175.db2.gz BAUVQDKZXMRZNT-SJLPKXTDSA-N 3 2 348.510 2.492 10 10 EECELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C ZINC001320508555 1332900177 /nfs/dbraw/zinc/90/01/77/1332900177.db2.gz BAUVQDKZXMRZNT-SJLPKXTDSA-N 3 2 348.510 2.492 10 10 EECELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C ZINC001320508555 1332900180 /nfs/dbraw/zinc/90/01/80/1332900180.db2.gz BAUVQDKZXMRZNT-SJLPKXTDSA-N 3 2 348.510 2.492 10 10 EECELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1O ZINC000757658109 577862025 /nfs/dbraw/zinc/86/20/25/577862025.db2.gz VAIHZKNQPNODPL-DOMZBBRYSA-N 2 2 346.406 2.107 10 10 EECELP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001483175924 1189027378 /nfs/dbraw/zinc/02/73/78/1189027378.db2.gz XRYNAAAUBFKWRN-HUUCEWRRSA-N 2 2 344.459 2.200 10 10 EECELP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001483175924 1189027383 /nfs/dbraw/zinc/02/73/83/1189027383.db2.gz XRYNAAAUBFKWRN-HUUCEWRRSA-N 2 2 344.459 2.200 10 10 EECELP COc1ccc(C[NH2+][C@H](CNC(=O)Cc2[nH]cc[nH+]2)C(C)C)cc1C ZINC001568465101 1124527633 /nfs/dbraw/zinc/52/76/33/1124527633.db2.gz AZUJCNQUWFJDGL-MRXNPFEDSA-N 2 2 344.459 2.200 10 10 EECELP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001569021028 1125047310 /nfs/dbraw/zinc/04/73/10/1125047310.db2.gz PRTJSOLWEFPXMN-CVEARBPZSA-N 2 2 344.459 2.446 10 10 EECELP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C ZINC001266948653 1177874736 /nfs/dbraw/zinc/87/47/36/1177874736.db2.gz FOZVXZIEPZVCMU-NUEKZKHPSA-N 2 2 342.443 2.125 10 10 EECELP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C ZINC001266948653 1177874745 /nfs/dbraw/zinc/87/47/45/1177874745.db2.gz FOZVXZIEPZVCMU-NUEKZKHPSA-N 2 2 342.443 2.125 10 10 EECELP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925632227 1206137871 /nfs/dbraw/zinc/13/78/71/1206137871.db2.gz VRRPZDOCGQGUQN-FQEVSTJZSA-N 3 2 342.531 2.449 10 10 EECELP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(O)c1 ZINC000757657806 577862040 /nfs/dbraw/zinc/86/20/40/577862040.db2.gz QZIGTHWNGOGTNR-GDBMZVCRSA-N 2 2 342.443 2.276 10 10 EECELP OC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2F)CC1 ZINC000925500390 1206120032 /nfs/dbraw/zinc/12/00/32/1206120032.db2.gz FACBJFYKYSELMM-SFHVURJKSA-N 2 2 333.451 2.161 10 10 EECELP COc1ccc(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2)C(C)C)cc1C ZINC001319967251 1332802817 /nfs/dbraw/zinc/80/28/17/1332802817.db2.gz CHCQKKQSSJZOQX-QGZVFWFLSA-N 2 2 344.459 2.131 10 10 EECELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1 ZINC000328634052 258026529 /nfs/dbraw/zinc/02/65/29/258026529.db2.gz MLMVNKCPPSAMOK-LPHOPBHVSA-N 2 2 326.444 2.422 10 10 EECELP Cc1nc(N2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)cc[nH+]1 ZINC000273792631 464725879 /nfs/dbraw/zinc/72/58/79/464725879.db2.gz VNYYIBWFBSSZLO-UHFFFAOYSA-N 2 2 329.423 2.312 10 10 EECELP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000817940915 785086667 /nfs/dbraw/zinc/08/66/67/785086667.db2.gz PDIHQGNEKLUSTI-CQSZACIVSA-N 2 2 343.427 2.404 10 10 EECELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@H](C)[C@H]3C)CC2)cc1 ZINC000924579546 1205999188 /nfs/dbraw/zinc/99/91/88/1205999188.db2.gz KUOQGRVEQZLUGM-MBOZVWFJSA-N 2 2 347.503 2.220 10 10 EECELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1O ZINC000757658111 577862053 /nfs/dbraw/zinc/86/20/53/577862053.db2.gz VAIHZKNQPNODPL-IUODEOHRSA-N 2 2 346.406 2.107 10 10 EECELP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1C ZINC001485177269 1191677607 /nfs/dbraw/zinc/67/76/07/1191677607.db2.gz NUPPZCJXBWAWSA-JKSUJKDBSA-N 2 2 344.459 2.273 10 10 EECELP COc1ccc(C[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CC2)cc1C ZINC001323459988 1333467948 /nfs/dbraw/zinc/46/79/48/1333467948.db2.gz QYNVKBOYVDEHSF-UHFFFAOYSA-N 2 2 342.443 2.098 10 10 EECELP COc1ccc(C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CC2)cc1C ZINC001323459988 1333467950 /nfs/dbraw/zinc/46/79/50/1333467950.db2.gz QYNVKBOYVDEHSF-UHFFFAOYSA-N 2 2 342.443 2.098 10 10 EECELP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2F)CC1 ZINC001344070378 1337364070 /nfs/dbraw/zinc/36/40/70/1337364070.db2.gz RDKHBKKZRNFUGH-MRXNPFEDSA-N 2 2 329.423 2.009 10 10 EECELP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000188418147 464275725 /nfs/dbraw/zinc/27/57/25/464275725.db2.gz HUQPCRNCSSANQH-LJQANCHMSA-N 2 2 326.444 2.384 10 10 EECELP c1cn(C[C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000188418147 464275731 /nfs/dbraw/zinc/27/57/31/464275731.db2.gz HUQPCRNCSSANQH-LJQANCHMSA-N 2 2 326.444 2.384 10 10 EECELP COc1cc(Br)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841059275 1315465420 /nfs/dbraw/zinc/46/54/20/1315465420.db2.gz OZEYZLJSSGAVAF-JOYOIKCWSA-N 2 2 329.238 2.251 10 10 EECELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000177056993 464918523 /nfs/dbraw/zinc/91/85/23/464918523.db2.gz PZOQSSPRSCGHFS-APWZRJJASA-N 2 2 346.519 2.126 10 10 EECELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000177056993 464918530 /nfs/dbraw/zinc/91/85/30/464918530.db2.gz PZOQSSPRSCGHFS-APWZRJJASA-N 2 2 346.519 2.126 10 10 EECELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000177056993 464918538 /nfs/dbraw/zinc/91/85/38/464918538.db2.gz PZOQSSPRSCGHFS-APWZRJJASA-N 2 2 346.519 2.126 10 10 EECELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000177056993 464918545 /nfs/dbraw/zinc/91/85/45/464918545.db2.gz PZOQSSPRSCGHFS-APWZRJJASA-N 2 2 346.519 2.126 10 10 EECELP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](CNc3cccc[nH+]3)C1)OCO2 ZINC000092812865 534447855 /nfs/dbraw/zinc/44/78/55/534447855.db2.gz NKZVMSHQENMDIK-ZDUSSCGKSA-N 2 2 327.384 2.450 10 10 EECELP Oc1cc2c(cc1C[N@H+]1CC[C@@H](CNc3cccc[nH+]3)C1)OCO2 ZINC000092812865 534447862 /nfs/dbraw/zinc/44/78/62/534447862.db2.gz NKZVMSHQENMDIK-ZDUSSCGKSA-N 2 2 327.384 2.450 10 10 EECELP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CO1 ZINC000850013621 1276991199 /nfs/dbraw/zinc/99/11/99/1276991199.db2.gz KIIWNEFZIAZOSD-IEBWSBKVSA-N 2 2 347.503 2.364 10 10 EECELP COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2[nH]c[nH+]c2C)cc1C ZINC001497734662 1102984878 /nfs/dbraw/zinc/98/48/78/1102984878.db2.gz PNXKISCCPRWNPP-SNAWJCMRSA-N 2 2 342.443 2.040 10 10 EECELP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294480567 464513195 /nfs/dbraw/zinc/51/31/95/464513195.db2.gz AMADXLYUPPNCRS-LBPRGKRZSA-N 2 2 329.847 2.300 10 10 EECELP CC[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CO1 ZINC000850013622 1276990978 /nfs/dbraw/zinc/99/09/78/1276990978.db2.gz KIIWNEFZIAZOSD-MJGOQNOKSA-N 2 2 347.503 2.364 10 10 EECELP COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2[nH]c[nH+]c2C)cc1C ZINC001480804575 1107147971 /nfs/dbraw/zinc/14/79/71/1107147971.db2.gz CCBHAEOMXBRXLO-CQSZACIVSA-N 2 2 344.459 2.262 10 10 EECELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000179879635 464202857 /nfs/dbraw/zinc/20/28/57/464202857.db2.gz PVALBECMDMJKAG-YJBOKZPZSA-N 2 2 326.440 2.462 10 10 EECELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000179879635 464202866 /nfs/dbraw/zinc/20/28/66/464202866.db2.gz PVALBECMDMJKAG-YJBOKZPZSA-N 2 2 326.440 2.462 10 10 EECELP CCOc1ccc(O)c(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529663913 467892015 /nfs/dbraw/zinc/89/20/15/467892015.db2.gz MZLKIZYYBMMHFD-UHFFFAOYSA-N 2 2 334.460 2.478 10 10 EECELP c1nc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)co1 ZINC000758424324 577624452 /nfs/dbraw/zinc/62/44/52/577624452.db2.gz IJXVAEDUGLBBFZ-UHFFFAOYSA-N 2 2 326.444 2.496 10 10 EECELP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000757656934 577861958 /nfs/dbraw/zinc/86/19/58/577861958.db2.gz PPMANOJFNXDIDZ-GOEBONIOSA-N 2 2 342.443 2.276 10 10 EECELP COc1cc(Br)cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841059274 1315465611 /nfs/dbraw/zinc/46/56/11/1315465611.db2.gz OZEYZLJSSGAVAF-CABZTGNLSA-N 2 2 329.238 2.251 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@](C)(C(F)F)C3)cc2)CC1 ZINC001328019602 1334380067 /nfs/dbraw/zinc/38/00/67/1334380067.db2.gz PRPLTIJXEHPAIC-GOSISDBHSA-N 2 2 339.430 2.294 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@](C)(C(F)F)C3)cc2)CC1 ZINC001328019602 1334380069 /nfs/dbraw/zinc/38/00/69/1334380069.db2.gz PRPLTIJXEHPAIC-GOSISDBHSA-N 2 2 339.430 2.294 10 10 EECELP C/C=C/C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC ZINC000763360181 577719825 /nfs/dbraw/zinc/71/98/25/577719825.db2.gz BASAZHWOIBCPFS-FHHGHWCOSA-N 2 2 345.487 2.426 10 10 EECELP Oc1ccc(Cl)c(F)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841087728 1315471626 /nfs/dbraw/zinc/47/16/26/1315471626.db2.gz RTLFIVAINJVCSU-UHFFFAOYSA-N 2 2 341.858 2.491 10 10 EECELP COc1cc(O)c(C[N@H+](CC[NH3+])CCc2ccccc2)cc1OC ZINC000843121347 1315847988 /nfs/dbraw/zinc/84/79/88/1315847988.db2.gz FFLQYOSFWFSHBN-UHFFFAOYSA-N 2 2 330.428 2.413 10 10 EECELP COc1cc(O)c(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1OC ZINC000843121347 1315847989 /nfs/dbraw/zinc/84/79/89/1315847989.db2.gz FFLQYOSFWFSHBN-UHFFFAOYSA-N 2 2 330.428 2.413 10 10 EECELP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001326222694 1334046653 /nfs/dbraw/zinc/04/66/53/1334046653.db2.gz QIOPZOWHLGOEST-JWTNVVGKSA-N 3 2 346.494 2.292 10 10 EECELP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001326222694 1334046655 /nfs/dbraw/zinc/04/66/55/1334046655.db2.gz QIOPZOWHLGOEST-JWTNVVGKSA-N 3 2 346.494 2.292 10 10 EECELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915919 785069184 /nfs/dbraw/zinc/06/91/84/785069184.db2.gz BIJWAKXZHUKSFG-UTKZUKDTSA-N 3 2 342.531 2.306 10 10 EECELP OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000925502998 1206120397 /nfs/dbraw/zinc/12/03/97/1206120397.db2.gz MNMOWJXVXRAVPT-LJQANCHMSA-N 2 2 329.488 2.270 10 10 EECELP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000925715002 1206145751 /nfs/dbraw/zinc/14/57/51/1206145751.db2.gz BBPFOXPXIANDMW-LJQANCHMSA-N 2 2 329.488 2.412 10 10 EECELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000862535809 1295869907 /nfs/dbraw/zinc/86/99/07/1295869907.db2.gz YUAUQWHHNPWFTE-UHFFFAOYSA-N 2 2 334.460 2.478 10 10 EECELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1O ZINC000863542760 1296327656 /nfs/dbraw/zinc/32/76/56/1296327656.db2.gz YZSJETFWZDVZDB-JTQLQIEISA-N 2 2 329.238 2.313 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3CC(F)F)cc2)CC1 ZINC000809713070 783328286 /nfs/dbraw/zinc/32/82/86/783328286.db2.gz YKMTYSJLWWTLSW-KRWDZBQOSA-N 2 2 339.430 2.294 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3CC(F)F)cc2)CC1 ZINC000809713070 783328296 /nfs/dbraw/zinc/32/82/96/783328296.db2.gz YKMTYSJLWWTLSW-KRWDZBQOSA-N 2 2 339.430 2.294 10 10 EECELP C/C=C/C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC ZINC000763360184 577719880 /nfs/dbraw/zinc/71/98/80/577719880.db2.gz BASAZHWOIBCPFS-OQBYNLHGSA-N 2 2 345.487 2.426 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)cc2F)CC1 ZINC000925561112 1206128183 /nfs/dbraw/zinc/12/81/83/1206128183.db2.gz YQOKRZOIMQYQFC-RTBURBONSA-N 3 2 346.494 2.327 10 10 EECELP CN(C)c1ccc(/C=C/C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699464 1248656035 /nfs/dbraw/zinc/65/60/35/1248656035.db2.gz HQMQOSRRWPVZDF-YADGQWAMSA-N 2 2 329.488 2.297 10 10 EECELP CN(C)c1ccc(/C=C/C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699464 1248656047 /nfs/dbraw/zinc/65/60/47/1248656047.db2.gz HQMQOSRRWPVZDF-YADGQWAMSA-N 2 2 329.488 2.297 10 10 EECELP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925782112 775635470 /nfs/dbraw/zinc/63/54/70/775635470.db2.gz KXOMYPKJUOCKLC-ZYHUDNBSSA-N 2 2 328.359 2.074 10 10 EECELP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817917804 785068394 /nfs/dbraw/zinc/06/83/94/785068394.db2.gz SQTBKQJBYXZYHP-LAUBAEHRSA-N 3 2 342.531 2.449 10 10 EECELP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000863544024 1296328150 /nfs/dbraw/zinc/32/81/50/1296328150.db2.gz ITCOFYMMKWUYOM-VIFPVBQESA-N 2 2 335.217 2.180 10 10 EECELP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817917805 785068156 /nfs/dbraw/zinc/06/81/56/785068156.db2.gz SQTBKQJBYXZYHP-UTKZUKDTSA-N 3 2 342.531 2.449 10 10 EECELP CCOc1ccc(O)c(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000092079768 237034576 /nfs/dbraw/zinc/03/45/76/237034576.db2.gz TWMXRKBAWQYGML-HNNXBMFYSA-N 2 2 334.460 2.476 10 10 EECELP CCOc1ccc(O)c(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000092079768 237034587 /nfs/dbraw/zinc/03/45/87/237034587.db2.gz TWMXRKBAWQYGML-HNNXBMFYSA-N 2 2 334.460 2.476 10 10 EECELP CC[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O ZINC000775551009 577439379 /nfs/dbraw/zinc/43/93/79/577439379.db2.gz GAPHALYEOUIGMQ-CVEARBPZSA-N 2 2 342.443 2.358 10 10 EECELP COc1ccc(C[NH2+][C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C(C)C)cc1C ZINC001568465100 1124527317 /nfs/dbraw/zinc/52/73/17/1124527317.db2.gz AZUJCNQUWFJDGL-INIZCTEOSA-N 2 2 344.459 2.200 10 10 EECELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000924579538 1205998844 /nfs/dbraw/zinc/99/88/44/1205998844.db2.gz KUOQGRVEQZLUGM-ABSDTBQOSA-N 2 2 347.503 2.220 10 10 EECELP COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863485048 1296302801 /nfs/dbraw/zinc/30/28/01/1296302801.db2.gz SIOWBBDIRSHBSO-BXKDBHETSA-N 2 2 329.238 2.393 10 10 EECELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669173 577560544 /nfs/dbraw/zinc/56/05/44/577560544.db2.gz DYEWMWOCIRTBPX-LAUBAEHRSA-N 3 2 342.531 2.258 10 10 EECELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669173 577560545 /nfs/dbraw/zinc/56/05/45/577560545.db2.gz DYEWMWOCIRTBPX-LAUBAEHRSA-N 3 2 342.531 2.258 10 10 EECELP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)cc2)CC1 ZINC000895671565 684681925 /nfs/dbraw/zinc/68/19/25/684681925.db2.gz QVIHAUJQVLRSKR-UHFFFAOYSA-N 3 2 342.531 2.499 10 10 EECELP COc1cc(Cl)cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000903971410 1242799575 /nfs/dbraw/zinc/79/95/75/1242799575.db2.gz AWXLPNUUMNBOFG-CQSZACIVSA-N 2 2 340.851 2.303 10 10 EECELP COc1ccc(O)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000180095583 464241053 /nfs/dbraw/zinc/24/10/53/464241053.db2.gz NBKDUZSSEFXDCB-UHFFFAOYSA-N 2 2 344.459 2.194 10 10 EECELP COc1ccc(O)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000180095583 464241062 /nfs/dbraw/zinc/24/10/62/464241062.db2.gz NBKDUZSSEFXDCB-UHFFFAOYSA-N 2 2 344.459 2.194 10 10 EECELP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1O ZINC000925856406 1206161842 /nfs/dbraw/zinc/16/18/42/1206161842.db2.gz NRZMXERZIFSYKL-ZYHUDNBSSA-N 2 2 340.370 2.006 10 10 EECELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000179879648 464202538 /nfs/dbraw/zinc/20/25/38/464202538.db2.gz PVALBECMDMJKAG-QAPCUYQASA-N 2 2 326.440 2.462 10 10 EECELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000179879648 464202542 /nfs/dbraw/zinc/20/25/42/464202542.db2.gz PVALBECMDMJKAG-QAPCUYQASA-N 2 2 326.440 2.462 10 10 EECELP Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000757656941 577862066 /nfs/dbraw/zinc/86/20/66/577862066.db2.gz PPMANOJFNXDIDZ-ZBFHGGJFSA-N 2 2 342.443 2.276 10 10 EECELP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C ZINC001275554985 1205409907 /nfs/dbraw/zinc/40/99/07/1205409907.db2.gz ZTUCMGRPQJQHNW-KGLIPLIRSA-N 2 2 344.459 2.261 10 10 EECELP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817917807 785069035 /nfs/dbraw/zinc/06/90/35/785069035.db2.gz SQTBKQJBYXZYHP-UWJYYQICSA-N 3 2 342.531 2.449 10 10 EECELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000775717897 577443584 /nfs/dbraw/zinc/44/35/84/577443584.db2.gz UGWHBBMBZTUQDE-PXNSSMCTSA-N 3 2 330.520 2.353 10 10 EECELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000775717897 577443585 /nfs/dbraw/zinc/44/35/85/577443585.db2.gz UGWHBBMBZTUQDE-PXNSSMCTSA-N 3 2 330.520 2.353 10 10 EECELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C ZINC000775717897 577443586 /nfs/dbraw/zinc/44/35/86/577443586.db2.gz UGWHBBMBZTUQDE-PXNSSMCTSA-N 3 2 330.520 2.353 10 10 EECELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C ZINC000775717897 577443587 /nfs/dbraw/zinc/44/35/87/577443587.db2.gz UGWHBBMBZTUQDE-PXNSSMCTSA-N 3 2 330.520 2.353 10 10 EECELP COc1ccc(C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCC2)cc1C ZINC001280507629 1324262930 /nfs/dbraw/zinc/26/29/30/1324262930.db2.gz GZUFCVIILPFPOE-UHFFFAOYSA-N 2 2 342.443 2.098 10 10 EECELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1 ZINC000328634051 258026664 /nfs/dbraw/zinc/02/66/64/258026664.db2.gz MLMVNKCPPSAMOK-APWZRJJASA-N 2 2 326.444 2.422 10 10 EECELP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2F)CC1 ZINC000925500389 1206119865 /nfs/dbraw/zinc/11/98/65/1206119865.db2.gz FACBJFYKYSELMM-GOSISDBHSA-N 2 2 333.451 2.161 10 10 EECELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000863484343 1296301680 /nfs/dbraw/zinc/30/16/80/1296301680.db2.gz WRCFXXWSLDJVJS-NWDGAFQWSA-N 2 2 329.238 2.393 10 10 EECELP C[N@H+](Cc1cc(F)ccc1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000180104055 464243368 /nfs/dbraw/zinc/24/33/68/464243368.db2.gz BNWBFPPNFMUWHL-UHFFFAOYSA-N 2 2 332.423 2.324 10 10 EECELP C[N@@H+](Cc1cc(F)ccc1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000180104055 464243372 /nfs/dbraw/zinc/24/33/72/464243372.db2.gz BNWBFPPNFMUWHL-UHFFFAOYSA-N 2 2 332.423 2.324 10 10 EECELP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1O ZINC000925856404 1206161655 /nfs/dbraw/zinc/16/16/55/1206161655.db2.gz NRZMXERZIFSYKL-JQWIXIFHSA-N 2 2 340.370 2.006 10 10 EECELP COc1ccc(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2)C(C)C)cc1C ZINC001319967250 1332802957 /nfs/dbraw/zinc/80/29/57/1332802957.db2.gz CHCQKKQSSJZOQX-KRWDZBQOSA-N 2 2 344.459 2.131 10 10 EECELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1 ZINC000328634054 258026557 /nfs/dbraw/zinc/02/65/57/258026557.db2.gz MLMVNKCPPSAMOK-VQIMIIECSA-N 2 2 326.444 2.422 10 10 EECELP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294466955 464509235 /nfs/dbraw/zinc/50/92/35/464509235.db2.gz ZEHLAIJQJKNNAH-UHFFFAOYSA-N 2 2 329.847 2.300 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)cc2F)CC1 ZINC000756117849 577838672 /nfs/dbraw/zinc/83/86/72/577838672.db2.gz BGAGEBWUEUVPNY-CRAIPNDOSA-N 3 2 334.483 2.007 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)cc2F)CC1 ZINC000756117849 577838673 /nfs/dbraw/zinc/83/86/73/577838673.db2.gz BGAGEBWUEUVPNY-CRAIPNDOSA-N 3 2 334.483 2.007 10 10 EECELP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001483175925 1189027289 /nfs/dbraw/zinc/02/72/89/1189027289.db2.gz XRYNAAAUBFKWRN-LSDHHAIUSA-N 2 2 344.459 2.200 10 10 EECELP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001483175925 1189027295 /nfs/dbraw/zinc/02/72/95/1189027295.db2.gz XRYNAAAUBFKWRN-LSDHHAIUSA-N 2 2 344.459 2.200 10 10 EECELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C ZINC001320508556 1332900333 /nfs/dbraw/zinc/90/03/33/1332900333.db2.gz BAUVQDKZXMRZNT-WMZOPIPTSA-N 3 2 348.510 2.492 10 10 EECELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C ZINC001320508556 1332900337 /nfs/dbraw/zinc/90/03/37/1332900337.db2.gz BAUVQDKZXMRZNT-WMZOPIPTSA-N 3 2 348.510 2.492 10 10 EECELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C ZINC001320508556 1332900339 /nfs/dbraw/zinc/90/03/39/1332900339.db2.gz BAUVQDKZXMRZNT-WMZOPIPTSA-N 3 2 348.510 2.492 10 10 EECELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C ZINC001320508556 1332900342 /nfs/dbraw/zinc/90/03/42/1332900342.db2.gz BAUVQDKZXMRZNT-WMZOPIPTSA-N 3 2 348.510 2.492 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCc4n[nH]cc4C3)cc2F)CC1 ZINC001261695206 1322156733 /nfs/dbraw/zinc/15/67/33/1322156733.db2.gz JLKVMIXTOXUVSW-UHFFFAOYSA-N 2 2 343.450 2.249 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@H+]3CCCc4n[nH]cc4C3)cc2F)CC1 ZINC001261695206 1322156744 /nfs/dbraw/zinc/15/67/44/1322156744.db2.gz JLKVMIXTOXUVSW-UHFFFAOYSA-N 2 2 343.450 2.249 10 10 EECELP Fc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1N1CCOCC1 ZINC000810171595 1199310117 /nfs/dbraw/zinc/31/01/17/1199310117.db2.gz MCYVUESZQLNDFE-AWEZNQCLSA-N 2 2 330.407 2.033 10 10 EECELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1O ZINC000863542761 1296327090 /nfs/dbraw/zinc/32/70/90/1296327090.db2.gz YZSJETFWZDVZDB-SNVBAGLBSA-N 2 2 329.238 2.313 10 10 EECELP CCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1O ZINC000092079301 237036255 /nfs/dbraw/zinc/03/62/55/237036255.db2.gz CJHMTRMLRJZQOZ-HNNXBMFYSA-N 2 2 334.460 2.476 10 10 EECELP CCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1O ZINC000092079301 237036265 /nfs/dbraw/zinc/03/62/65/237036265.db2.gz CJHMTRMLRJZQOZ-HNNXBMFYSA-N 2 2 334.460 2.476 10 10 EECELP Cc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O ZINC000180095422 464240830 /nfs/dbraw/zinc/24/08/30/464240830.db2.gz JYAJRQULUYZWTA-UHFFFAOYSA-N 2 2 328.460 2.494 10 10 EECELP Cc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O ZINC000180095422 464240837 /nfs/dbraw/zinc/24/08/37/464240837.db2.gz JYAJRQULUYZWTA-UHFFFAOYSA-N 2 2 328.460 2.494 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)cc2F)CC1 ZINC000925561102 1206128330 /nfs/dbraw/zinc/12/83/30/1206128330.db2.gz YQOKRZOIMQYQFC-MOPGFXCFSA-N 3 2 346.494 2.327 10 10 EECELP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1O ZINC000925856401 1206161595 /nfs/dbraw/zinc/16/15/95/1206161595.db2.gz NRZMXERZIFSYKL-CMPLNLGQSA-N 2 2 340.370 2.006 10 10 EECELP COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000850487824 1277245124 /nfs/dbraw/zinc/24/51/24/1277245124.db2.gz PKLQIWFXIOLYNA-IEBWSBKVSA-N 2 2 345.487 2.117 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)cc2F)CC1 ZINC000756117882 577838679 /nfs/dbraw/zinc/83/86/79/577838679.db2.gz BGAGEBWUEUVPNY-MAUKXSAKSA-N 3 2 334.483 2.007 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)cc2F)CC1 ZINC000756117882 577838680 /nfs/dbraw/zinc/83/86/80/577838680.db2.gz BGAGEBWUEUVPNY-MAUKXSAKSA-N 3 2 334.483 2.007 10 10 EECELP COc1c(O)c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959262 1331618663 /nfs/dbraw/zinc/61/86/63/1331618663.db2.gz DDOKFPQUNITBIU-KRWDZBQOSA-N 2 2 335.404 2.275 10 10 EECELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C ZINC001320508553 1332899925 /nfs/dbraw/zinc/89/99/25/1332899925.db2.gz BAUVQDKZXMRZNT-AEFFLSMTSA-N 3 2 348.510 2.492 10 10 EECELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C ZINC001320508553 1332899928 /nfs/dbraw/zinc/89/99/28/1332899928.db2.gz BAUVQDKZXMRZNT-AEFFLSMTSA-N 3 2 348.510 2.492 10 10 EECELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C ZINC001320508553 1332899931 /nfs/dbraw/zinc/89/99/31/1332899931.db2.gz BAUVQDKZXMRZNT-AEFFLSMTSA-N 3 2 348.510 2.492 10 10 EECELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C ZINC001320508553 1332899934 /nfs/dbraw/zinc/89/99/34/1332899934.db2.gz BAUVQDKZXMRZNT-AEFFLSMTSA-N 3 2 348.510 2.492 10 10 EECELP Oc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980141 1242841394 /nfs/dbraw/zinc/84/13/94/1242841394.db2.gz JQNRMCCFUFNJOI-GASCZTMLSA-N 2 2 335.879 2.446 10 10 EECELP Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980141 1242841406 /nfs/dbraw/zinc/84/14/06/1242841406.db2.gz JQNRMCCFUFNJOI-GASCZTMLSA-N 2 2 335.879 2.446 10 10 EECELP CN(C)c1ccc(/C=C\C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827699461 1248655769 /nfs/dbraw/zinc/65/57/69/1248655769.db2.gz HQMQOSRRWPVZDF-HZQHCPKGSA-N 2 2 329.488 2.297 10 10 EECELP CN(C)c1ccc(/C=C\C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827699461 1248655782 /nfs/dbraw/zinc/65/57/82/1248655782.db2.gz HQMQOSRRWPVZDF-HZQHCPKGSA-N 2 2 329.488 2.297 10 10 EECELP C[NH+]1CCC(CNC(=O)Nc2ccc(N)cc2)([NH+]2CCCCC2)CC1 ZINC000841301049 1315524985 /nfs/dbraw/zinc/52/49/85/1315524985.db2.gz YCCZSRPJKBUMAM-UHFFFAOYSA-N 2 2 345.491 2.341 10 10 EECELP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925782109 775635964 /nfs/dbraw/zinc/63/59/64/775635964.db2.gz KXOMYPKJUOCKLC-PWSUYJOCSA-N 2 2 328.359 2.074 10 10 EECELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669172 577560590 /nfs/dbraw/zinc/56/05/90/577560590.db2.gz DYEWMWOCIRTBPX-DYESRHJHSA-N 3 2 342.531 2.258 10 10 EECELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669172 577560591 /nfs/dbraw/zinc/56/05/91/577560591.db2.gz DYEWMWOCIRTBPX-DYESRHJHSA-N 3 2 342.531 2.258 10 10 EECELP Cc1c(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cnn1C ZINC001256253586 1318695877 /nfs/dbraw/zinc/69/58/77/1318695877.db2.gz BOQXHQKUYKXPFY-UHFFFAOYSA-N 2 2 345.466 2.251 10 10 EECELP Cc1c(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cnn1C ZINC001256253586 1318695887 /nfs/dbraw/zinc/69/58/87/1318695887.db2.gz BOQXHQKUYKXPFY-UHFFFAOYSA-N 2 2 345.466 2.251 10 10 EECELP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925782105 775632226 /nfs/dbraw/zinc/63/22/26/775632226.db2.gz KXOMYPKJUOCKLC-CMPLNLGQSA-N 2 2 328.359 2.074 10 10 EECELP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925782107 775632711 /nfs/dbraw/zinc/63/27/11/775632711.db2.gz KXOMYPKJUOCKLC-JQWIXIFHSA-N 2 2 328.359 2.074 10 10 EECELP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(O)c1 ZINC000757657817 577861998 /nfs/dbraw/zinc/86/19/98/577861998.db2.gz QZIGTHWNGOGTNR-ZBFHGGJFSA-N 2 2 342.443 2.276 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3CC(F)F)cc2)CC1 ZINC000809713074 783329179 /nfs/dbraw/zinc/32/91/79/783329179.db2.gz YKMTYSJLWWTLSW-QGZVFWFLSA-N 2 2 339.430 2.294 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H]3CC(F)F)cc2)CC1 ZINC000809713074 783329186 /nfs/dbraw/zinc/32/91/86/783329186.db2.gz YKMTYSJLWWTLSW-QGZVFWFLSA-N 2 2 339.430 2.294 10 10 EECELP COc1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000903971409 1242799935 /nfs/dbraw/zinc/79/99/35/1242799935.db2.gz AWXLPNUUMNBOFG-AWEZNQCLSA-N 2 2 340.851 2.303 10 10 EECELP C/C=C\C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC ZINC000763360186 577719877 /nfs/dbraw/zinc/71/98/77/577719877.db2.gz BASAZHWOIBCPFS-UTSMFGRCSA-N 2 2 345.487 2.426 10 10 EECELP COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001480547366 1100381049 /nfs/dbraw/zinc/38/10/49/1100381049.db2.gz ZRUGCATWCDRQQC-HOTGVXAUSA-N 2 2 344.459 2.446 10 10 EECELP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C(C)(C)C)cc2)CC1 ZINC000850344257 1277189177 /nfs/dbraw/zinc/18/91/77/1277189177.db2.gz ZNOLDUJFRHMZPC-IBGZPJMESA-N 3 2 330.520 2.401 10 10 EECELP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C(C)(C)C)cc2)CC1 ZINC000850344257 1277189178 /nfs/dbraw/zinc/18/91/78/1277189178.db2.gz ZNOLDUJFRHMZPC-IBGZPJMESA-N 3 2 330.520 2.401 10 10 EECELP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C ZINC001275554986 1205409871 /nfs/dbraw/zinc/40/98/71/1205409871.db2.gz ZTUCMGRPQJQHNW-UONOGXRCSA-N 2 2 344.459 2.261 10 10 EECELP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000925843868 1206159330 /nfs/dbraw/zinc/15/93/30/1206159330.db2.gz HBVUGPXJOSSHSV-ZDUSSCGKSA-N 2 2 327.419 2.397 10 10 EECELP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCn2cc[nH+]c2)cc1C ZINC001319510058 1332713425 /nfs/dbraw/zinc/71/34/25/1332713425.db2.gz IVADKGLSJFDCQC-INIZCTEOSA-N 2 2 344.459 2.227 10 10 EECELP Cc1ccc(O)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000121230166 463101058 /nfs/dbraw/zinc/10/10/58/463101058.db2.gz WRSDCAJPGZXZDB-UHFFFAOYSA-N 2 2 328.460 2.494 10 10 EECELP Cc1ccc(O)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000121230166 463101060 /nfs/dbraw/zinc/10/10/60/463101060.db2.gz WRSDCAJPGZXZDB-UHFFFAOYSA-N 2 2 328.460 2.494 10 10 EECELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925630234 1206137700 /nfs/dbraw/zinc/13/77/00/1206137700.db2.gz ONNSWTJPQIIIIL-UWJYYQICSA-N 3 2 342.531 2.449 10 10 EECELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Br)cc(F)c1O ZINC000863542496 1296327526 /nfs/dbraw/zinc/32/75/26/1296327526.db2.gz WBBQVWYVGLVJGC-VIFPVBQESA-N 2 2 347.228 2.452 10 10 EECELP Cc1cc(O)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1C(C)C ZINC000844714464 789319059 /nfs/dbraw/zinc/31/90/59/789319059.db2.gz NRSSMBLAQMYPLF-UHFFFAOYSA-N 2 2 333.476 2.030 10 10 EECELP Cc1cc(O)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1C(C)C ZINC000844714464 789319068 /nfs/dbraw/zinc/31/90/68/789319068.db2.gz NRSSMBLAQMYPLF-UHFFFAOYSA-N 2 2 333.476 2.030 10 10 EECELP COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2[nH]c[nH+]c2C)cc1C ZINC001497734661 1102985137 /nfs/dbraw/zinc/98/51/37/1102985137.db2.gz PNXKISCCPRWNPP-PLNGDYQASA-N 2 2 342.443 2.040 10 10 EECELP COc1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000726707961 576290119 /nfs/dbraw/zinc/29/01/19/576290119.db2.gz IHOWZNZDHFLJAS-MRXNPFEDSA-N 2 2 346.475 2.057 10 10 EECELP COc1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000726707961 576290124 /nfs/dbraw/zinc/29/01/24/576290124.db2.gz IHOWZNZDHFLJAS-MRXNPFEDSA-N 2 2 346.475 2.057 10 10 EECELP CCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1O ZINC000092079300 237037736 /nfs/dbraw/zinc/03/77/36/237037736.db2.gz CJHMTRMLRJZQOZ-OAHLLOKOSA-N 2 2 334.460 2.476 10 10 EECELP CCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1O ZINC000092079300 237037744 /nfs/dbraw/zinc/03/77/44/237037744.db2.gz CJHMTRMLRJZQOZ-OAHLLOKOSA-N 2 2 334.460 2.476 10 10 EECELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298026702 465278502 /nfs/dbraw/zinc/27/85/02/465278502.db2.gz BEBMEAXMDYAEFZ-QFBILLFUSA-N 2 2 346.519 2.031 10 10 EECELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298026702 465278507 /nfs/dbraw/zinc/27/85/07/465278507.db2.gz BEBMEAXMDYAEFZ-QFBILLFUSA-N 2 2 346.519 2.031 10 10 EECELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298026702 465278513 /nfs/dbraw/zinc/27/85/13/465278513.db2.gz BEBMEAXMDYAEFZ-QFBILLFUSA-N 2 2 346.519 2.031 10 10 EECELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298026702 465278520 /nfs/dbraw/zinc/27/85/20/465278520.db2.gz BEBMEAXMDYAEFZ-QFBILLFUSA-N 2 2 346.519 2.031 10 10 EECELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000756098101 577838416 /nfs/dbraw/zinc/83/84/16/577838416.db2.gz FHRKEVKKWUXWPM-ATNYBXOESA-N 2 2 335.467 2.479 10 10 EECELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000756098101 577838417 /nfs/dbraw/zinc/83/84/17/577838417.db2.gz FHRKEVKKWUXWPM-ATNYBXOESA-N 2 2 335.467 2.479 10 10 EECELP CCOCc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)ccc1OC ZINC000903974561 1242813020 /nfs/dbraw/zinc/81/30/20/1242813020.db2.gz QOFGSRHEBYUKGP-GOSISDBHSA-N 2 2 348.487 2.480 10 10 EECELP COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000850487825 1277244577 /nfs/dbraw/zinc/24/45/77/1277244577.db2.gz PKLQIWFXIOLYNA-MJGOQNOKSA-N 2 2 345.487 2.117 10 10 EECELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000756098106 577838361 /nfs/dbraw/zinc/83/83/61/577838361.db2.gz FHRKEVKKWUXWPM-OIPACUDHSA-N 2 2 335.467 2.479 10 10 EECELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000756098106 577838362 /nfs/dbraw/zinc/83/83/62/577838362.db2.gz FHRKEVKKWUXWPM-OIPACUDHSA-N 2 2 335.467 2.479 10 10 EECELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@H](C)[C@@H]3C)CC2)cc1 ZINC000924579547 1205999179 /nfs/dbraw/zinc/99/91/79/1205999179.db2.gz KUOQGRVEQZLUGM-SQGPQFPESA-N 2 2 347.503 2.220 10 10 EECELP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1O ZINC000925856405 1206161605 /nfs/dbraw/zinc/16/16/05/1206161605.db2.gz NRZMXERZIFSYKL-PWSUYJOCSA-N 2 2 340.370 2.006 10 10 EECELP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000757656930 577861883 /nfs/dbraw/zinc/86/18/83/577861883.db2.gz PPMANOJFNXDIDZ-GDBMZVCRSA-N 2 2 342.443 2.276 10 10 EECELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)C1 ZINC000278229523 463957688 /nfs/dbraw/zinc/95/76/88/463957688.db2.gz MOGSSKGQTPZUMS-TZMCWYRMSA-N 2 2 337.420 2.471 10 10 EECELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)C1 ZINC000278229523 463957693 /nfs/dbraw/zinc/95/76/93/463957693.db2.gz MOGSSKGQTPZUMS-TZMCWYRMSA-N 2 2 337.420 2.471 10 10 EECELP Cc1cc(C)n2c(C[NH2+]C[C@@H]([NH3+])c3ccc(N(C)C)cc3)cnc2n1 ZINC000841045678 1315462201 /nfs/dbraw/zinc/46/22/01/1315462201.db2.gz OCENDMVFPBREEA-GOSISDBHSA-N 2 2 338.459 2.202 10 10 EECELP Cc1cc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)ccc1N(C)C ZINC000294775540 464601078 /nfs/dbraw/zinc/60/10/78/464601078.db2.gz ZNYXFXIDZOKYQI-UHFFFAOYSA-N 2 2 325.460 2.482 10 10 EECELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000862535300 1295870738 /nfs/dbraw/zinc/87/07/38/1295870738.db2.gz IGOHXNVBXSUSIO-UHFFFAOYSA-N 2 2 334.460 2.478 10 10 EECELP COc1ccc(C[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CCC2)cc1C ZINC001673221688 1356655545 /nfs/dbraw/zinc/65/55/45/1356655545.db2.gz DAMYUFRLQPUXBI-UHFFFAOYSA-N 2 2 342.443 2.098 10 10 EECELP COc1c(O)c(C[NH2+]CCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000775052154 577427855 /nfs/dbraw/zinc/42/78/55/577427855.db2.gz TZHMJWPAKXSOSJ-UHFFFAOYSA-N 2 2 342.355 2.289 10 10 EECELP Fc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1N1CCOCC1 ZINC000810171596 1199310217 /nfs/dbraw/zinc/31/02/17/1199310217.db2.gz MCYVUESZQLNDFE-CQSZACIVSA-N 2 2 330.407 2.033 10 10 EECELP COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001480547368 1100381683 /nfs/dbraw/zinc/38/16/83/1100381683.db2.gz ZRUGCATWCDRQQC-JKSUJKDBSA-N 2 2 344.459 2.446 10 10 EECELP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCn2cc[nH+]c2)cc1C ZINC001319510059 1332713649 /nfs/dbraw/zinc/71/36/49/1332713649.db2.gz IVADKGLSJFDCQC-MRXNPFEDSA-N 2 2 344.459 2.227 10 10 EECELP CN(C)c1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001320260356 1332853358 /nfs/dbraw/zinc/85/33/58/1332853358.db2.gz YFVLCZCPZKINTA-UHFFFAOYSA-N 2 2 344.438 2.046 10 10 EECELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925630232 1206137622 /nfs/dbraw/zinc/13/76/22/1206137622.db2.gz ONNSWTJPQIIIIL-LAUBAEHRSA-N 3 2 342.531 2.449 10 10 EECELP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C(C)(C)C)cc2)CC1 ZINC000850344258 1277188507 /nfs/dbraw/zinc/18/85/07/1277188507.db2.gz ZNOLDUJFRHMZPC-LJQANCHMSA-N 3 2 330.520 2.401 10 10 EECELP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C(C)(C)C)cc2)CC1 ZINC000850344258 1277188516 /nfs/dbraw/zinc/18/85/16/1277188516.db2.gz ZNOLDUJFRHMZPC-LJQANCHMSA-N 3 2 330.520 2.401 10 10 EECELP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1C ZINC001265489460 1323180635 /nfs/dbraw/zinc/18/06/35/1323180635.db2.gz HIZMYNISQLIPEA-QAQDUYKDSA-N 2 2 342.443 2.027 10 10 EECELP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C ZINC001275554987 1205409849 /nfs/dbraw/zinc/40/98/49/1205409849.db2.gz ZTUCMGRPQJQHNW-ZIAGYGMSSA-N 2 2 344.459 2.261 10 10 EECELP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2[nH]c[nH+]c2C)cc1C ZINC001281763428 1325441622 /nfs/dbraw/zinc/44/16/22/1325441622.db2.gz CCBHAEOMXBRXLO-AWEZNQCLSA-N 2 2 344.459 2.262 10 10 EECELP COc1cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c(O)cc1C ZINC000530106135 467950999 /nfs/dbraw/zinc/95/09/99/467950999.db2.gz VIRILSVEDJMZEA-UHFFFAOYSA-N 2 2 334.460 2.396 10 10 EECELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C(C)(C)CO)CC2)cc1 ZINC000924578868 681974147 /nfs/dbraw/zinc/97/41/47/681974147.db2.gz CYDLWCZKPCDBJK-KRWDZBQOSA-N 2 2 349.519 2.204 10 10 EECELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(F)ccc1O ZINC000757655799 577861936 /nfs/dbraw/zinc/86/19/36/577861936.db2.gz LBOCACOYLKVTTQ-DOMZBBRYSA-N 2 2 346.406 2.107 10 10 EECELP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925630231 1206137649 /nfs/dbraw/zinc/13/76/49/1206137649.db2.gz ONNSWTJPQIIIIL-DYESRHJHSA-N 3 2 342.531 2.449 10 10 EECELP COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863485050 1296301987 /nfs/dbraw/zinc/30/19/87/1296301987.db2.gz SIOWBBDIRSHBSO-JOYOIKCWSA-N 2 2 329.238 2.393 10 10 EECELP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000843431560 788981851 /nfs/dbraw/zinc/98/18/51/788981851.db2.gz HUHHISQHTDVTPH-UHFFFAOYSA-N 2 2 328.815 2.481 10 10 EECELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000843431560 788981856 /nfs/dbraw/zinc/98/18/56/788981856.db2.gz HUHHISQHTDVTPH-UHFFFAOYSA-N 2 2 328.815 2.481 10 10 EECELP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000295323511 464789784 /nfs/dbraw/zinc/78/97/84/464789784.db2.gz LMFYMTHNBCVLSP-AWEZNQCLSA-N 2 2 341.858 2.397 10 10 EECELP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000295323511 464789790 /nfs/dbraw/zinc/78/97/90/464789790.db2.gz LMFYMTHNBCVLSP-AWEZNQCLSA-N 2 2 341.858 2.397 10 10 EECELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000177056983 464918998 /nfs/dbraw/zinc/91/89/98/464918998.db2.gz PZOQSSPRSCGHFS-QFBILLFUSA-N 2 2 346.519 2.126 10 10 EECELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000177056983 464919002 /nfs/dbraw/zinc/91/90/02/464919002.db2.gz PZOQSSPRSCGHFS-QFBILLFUSA-N 2 2 346.519 2.126 10 10 EECELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000177056983 464919006 /nfs/dbraw/zinc/91/90/06/464919006.db2.gz PZOQSSPRSCGHFS-QFBILLFUSA-N 2 2 346.519 2.126 10 10 EECELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000177056983 464919010 /nfs/dbraw/zinc/91/90/10/464919010.db2.gz PZOQSSPRSCGHFS-QFBILLFUSA-N 2 2 346.519 2.126 10 10 EECELP OCC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000925502995 1206120463 /nfs/dbraw/zinc/12/04/63/1206120463.db2.gz MNMOWJXVXRAVPT-IBGZPJMESA-N 2 2 329.488 2.270 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2F)CC1 ZINC001329433115 1334649916 /nfs/dbraw/zinc/64/99/16/1334649916.db2.gz LMZCSZVKIVAOKB-HXUWFJFHSA-N 3 2 346.494 2.153 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2F)CC1 ZINC001329433115 1334649920 /nfs/dbraw/zinc/64/99/20/1334649920.db2.gz LMZCSZVKIVAOKB-HXUWFJFHSA-N 3 2 346.494 2.153 10 10 EECELP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C ZINC001275554984 1205409863 /nfs/dbraw/zinc/40/98/63/1205409863.db2.gz ZTUCMGRPQJQHNW-KBPBESRZSA-N 2 2 344.459 2.261 10 10 EECELP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925630233 1206137675 /nfs/dbraw/zinc/13/76/75/1206137675.db2.gz ONNSWTJPQIIIIL-UTKZUKDTSA-N 3 2 342.531 2.449 10 10 EECELP CCOCc1cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)ccc1OC ZINC000903974562 1242813164 /nfs/dbraw/zinc/81/31/64/1242813164.db2.gz QOFGSRHEBYUKGP-SFHVURJKSA-N 2 2 348.487 2.480 10 10 EECELP CCO[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@H]1C[NH3+] ZINC000844904025 789445088 /nfs/dbraw/zinc/44/50/88/789445088.db2.gz WRISOCASVVGBOG-TZMCWYRMSA-N 2 2 343.265 2.259 10 10 EECELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298026691 465277760 /nfs/dbraw/zinc/27/77/60/465277760.db2.gz BEBMEAXMDYAEFZ-APWZRJJASA-N 2 2 346.519 2.031 10 10 EECELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298026691 465277767 /nfs/dbraw/zinc/27/77/67/465277767.db2.gz BEBMEAXMDYAEFZ-APWZRJJASA-N 2 2 346.519 2.031 10 10 EECELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298026691 465277772 /nfs/dbraw/zinc/27/77/72/465277772.db2.gz BEBMEAXMDYAEFZ-APWZRJJASA-N 2 2 346.519 2.031 10 10 EECELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298026691 465277777 /nfs/dbraw/zinc/27/77/77/465277777.db2.gz BEBMEAXMDYAEFZ-APWZRJJASA-N 2 2 346.519 2.031 10 10 EECELP C[C@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cc(F)c1O ZINC000863544748 690718705 /nfs/dbraw/zinc/71/87/05/690718705.db2.gz ABNZTUBSDZESKJ-VIFPVBQESA-N 2 2 335.217 2.310 10 10 EECELP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000817940914 785086650 /nfs/dbraw/zinc/08/66/50/785086650.db2.gz PDIHQGNEKLUSTI-AWEZNQCLSA-N 2 2 343.427 2.404 10 10 EECELP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCCC3(C)C)CC2)cc1 ZINC000754028767 577798894 /nfs/dbraw/zinc/79/88/94/577798894.db2.gz AQDFURORQNKYSH-SFHVURJKSA-N 2 2 347.503 2.053 10 10 EECELP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCCC3(C)C)CC2)cc1 ZINC000754028767 577798895 /nfs/dbraw/zinc/79/88/95/577798895.db2.gz AQDFURORQNKYSH-SFHVURJKSA-N 2 2 347.503 2.053 10 10 EECELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1O ZINC000757658131 577861987 /nfs/dbraw/zinc/86/19/87/577861987.db2.gz VAIHZKNQPNODPL-WFASDCNBSA-N 2 2 346.406 2.107 10 10 EECELP Cc1cc(O)c(C[NH2+]CCCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000840875930 679499749 /nfs/dbraw/zinc/49/97/49/679499749.db2.gz KZZMNRBKMOMUTO-UHFFFAOYSA-N 2 2 325.884 2.471 10 10 EECELP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000843129104 1315849645 /nfs/dbraw/zinc/84/96/45/1315849645.db2.gz REMGJTQYYNNLAT-IBGZPJMESA-N 3 2 328.504 2.203 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@](C)(C(F)F)C3)cc2)CC1 ZINC001328019603 1334379978 /nfs/dbraw/zinc/37/99/78/1334379978.db2.gz PRPLTIJXEHPAIC-SFHVURJKSA-N 2 2 339.430 2.294 10 10 EECELP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@](C)(C(F)F)C3)cc2)CC1 ZINC001328019603 1334379980 /nfs/dbraw/zinc/37/99/80/1334379980.db2.gz PRPLTIJXEHPAIC-SFHVURJKSA-N 2 2 339.430 2.294 10 10 EECELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915909 785067389 /nfs/dbraw/zinc/06/73/89/785067389.db2.gz BIJWAKXZHUKSFG-DYESRHJHSA-N 3 2 342.531 2.306 10 10 EECELP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CO1 ZINC000850013623 1276991882 /nfs/dbraw/zinc/99/18/82/1276991882.db2.gz KIIWNEFZIAZOSD-PKOBYXMFSA-N 2 2 347.503 2.364 10 10 EECELP COc1c(O)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000375716386 466870170 /nfs/dbraw/zinc/87/01/70/466870170.db2.gz BGFNQVZLVOVIBH-UHFFFAOYSA-N 2 2 332.360 2.412 10 10 EECELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000775717898 577443635 /nfs/dbraw/zinc/44/36/35/577443635.db2.gz UGWHBBMBZTUQDE-XLIONFOSSA-N 3 2 330.520 2.353 10 10 EECELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000775717898 577443636 /nfs/dbraw/zinc/44/36/36/577443636.db2.gz UGWHBBMBZTUQDE-XLIONFOSSA-N 3 2 330.520 2.353 10 10 EECELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C ZINC000775717898 577443637 /nfs/dbraw/zinc/44/36/37/577443637.db2.gz UGWHBBMBZTUQDE-XLIONFOSSA-N 3 2 330.520 2.353 10 10 EECELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C ZINC000775717898 577443638 /nfs/dbraw/zinc/44/36/38/577443638.db2.gz UGWHBBMBZTUQDE-XLIONFOSSA-N 3 2 330.520 2.353 10 10 EECELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669175 577560577 /nfs/dbraw/zinc/56/05/77/577560577.db2.gz DYEWMWOCIRTBPX-UWJYYQICSA-N 3 2 342.531 2.258 10 10 EECELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669175 577560578 /nfs/dbraw/zinc/56/05/78/577560578.db2.gz DYEWMWOCIRTBPX-UWJYYQICSA-N 3 2 342.531 2.258 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)cc2F)CC1 ZINC000756117887 577838703 /nfs/dbraw/zinc/83/87/03/577838703.db2.gz BGAGEBWUEUVPNY-YJBOKZPZSA-N 3 2 334.483 2.007 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)cc2F)CC1 ZINC000756117887 577838704 /nfs/dbraw/zinc/83/87/04/577838704.db2.gz BGAGEBWUEUVPNY-YJBOKZPZSA-N 3 2 334.483 2.007 10 10 EECELP COc1c(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043959 1315827227 /nfs/dbraw/zinc/82/72/27/1315827227.db2.gz DUIBYEOZHBQNBB-JSGCOSHPSA-N 2 2 335.404 2.273 10 10 EECELP COc1c(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043959 1315827228 /nfs/dbraw/zinc/82/72/28/1315827228.db2.gz DUIBYEOZHBQNBB-JSGCOSHPSA-N 2 2 335.404 2.273 10 10 EECELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000177057007 464919508 /nfs/dbraw/zinc/91/95/08/464919508.db2.gz PZOQSSPRSCGHFS-LPHOPBHVSA-N 2 2 346.519 2.126 10 10 EECELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000177057007 464919512 /nfs/dbraw/zinc/91/95/12/464919512.db2.gz PZOQSSPRSCGHFS-LPHOPBHVSA-N 2 2 346.519 2.126 10 10 EECELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000177057007 464919518 /nfs/dbraw/zinc/91/95/18/464919518.db2.gz PZOQSSPRSCGHFS-LPHOPBHVSA-N 2 2 346.519 2.126 10 10 EECELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C ZINC000177057007 464919523 /nfs/dbraw/zinc/91/95/23/464919523.db2.gz PZOQSSPRSCGHFS-LPHOPBHVSA-N 2 2 346.519 2.126 10 10 EECELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C ZINC001320508554 1332900040 /nfs/dbraw/zinc/90/00/40/1332900040.db2.gz BAUVQDKZXMRZNT-FUHWJXTLSA-N 3 2 348.510 2.492 10 10 EECELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C ZINC001320508554 1332900042 /nfs/dbraw/zinc/90/00/42/1332900042.db2.gz BAUVQDKZXMRZNT-FUHWJXTLSA-N 3 2 348.510 2.492 10 10 EECELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C ZINC001320508554 1332900044 /nfs/dbraw/zinc/90/00/44/1332900044.db2.gz BAUVQDKZXMRZNT-FUHWJXTLSA-N 3 2 348.510 2.492 10 10 EECELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C ZINC001320508554 1332900045 /nfs/dbraw/zinc/90/00/45/1332900045.db2.gz BAUVQDKZXMRZNT-FUHWJXTLSA-N 3 2 348.510 2.492 10 10 EECELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000163364758 463583269 /nfs/dbraw/zinc/58/32/69/463583269.db2.gz OYHRWNAEKLBPQL-IBGZPJMESA-N 2 2 347.503 2.364 10 10 EECELP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000163364758 463583271 /nfs/dbraw/zinc/58/32/71/463583271.db2.gz OYHRWNAEKLBPQL-IBGZPJMESA-N 2 2 347.503 2.364 10 10 EECELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000756098108 577838397 /nfs/dbraw/zinc/83/83/97/577838397.db2.gz FHRKEVKKWUXWPM-ZXFNITATSA-N 2 2 335.467 2.479 10 10 EECELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000756098108 577838398 /nfs/dbraw/zinc/83/83/98/577838398.db2.gz FHRKEVKKWUXWPM-ZXFNITATSA-N 2 2 335.467 2.479 10 10 EECELP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840889383 682706306 /nfs/dbraw/zinc/70/63/06/682706306.db2.gz FZLPJJXXLKXDPB-ZDUSSCGKSA-N 2 2 339.867 2.031 10 10 EECELP Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840889383 682706309 /nfs/dbraw/zinc/70/63/09/682706309.db2.gz FZLPJJXXLKXDPB-ZDUSSCGKSA-N 2 2 339.867 2.031 10 10 EECELP COc1cc(Br)cc(C[NH2+]CC23CC(C2)C[NH2+]3)c1O ZINC000853245937 1292339940 /nfs/dbraw/zinc/33/99/40/1292339940.db2.gz DIUOMEORKFZYTN-UHFFFAOYSA-N 2 2 327.222 2.005 10 10 EECELP COc1cc(Br)cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059276 1315465344 /nfs/dbraw/zinc/46/53/44/1315465344.db2.gz OZEYZLJSSGAVAF-SKDRFNHKSA-N 2 2 329.238 2.251 10 10 EECELP COc1cc(Br)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1O ZINC000841090338 1315473242 /nfs/dbraw/zinc/47/32/42/1315473242.db2.gz OEFIBDWAMBWVGM-GFCCVEGCSA-N 2 2 329.238 2.395 10 10 EECELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915916 785069070 /nfs/dbraw/zinc/06/90/70/785069070.db2.gz BIJWAKXZHUKSFG-LAUBAEHRSA-N 3 2 342.531 2.306 10 10 EECELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)cc2F)CC1 ZINC000925561109 1206128360 /nfs/dbraw/zinc/12/83/60/1206128360.db2.gz YQOKRZOIMQYQFC-RBUKOAKNSA-N 3 2 346.494 2.327 10 10 EECELP