smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N@H+](CC[C@H]2CCOC2=O)[C@H](C)C2CC2)cc1 ZINC000247096243 432201028 /nfs/dbraw/zinc/20/10/28/432201028.db2.gz YUFFJVDRCMWMIP-HIFRSBDPSA-N 1 2 303.402 3.253 10 10 DGCELO COc1ccc([N@@H+](CC[C@H]2CCOC2=O)[C@H](C)C2CC2)cc1 ZINC000247096243 432201029 /nfs/dbraw/zinc/20/10/29/432201029.db2.gz YUFFJVDRCMWMIP-HIFRSBDPSA-N 1 2 303.402 3.253 10 10 DGCELO CC(C)c1nc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)no1 ZINC000180031407 519868487 /nfs/dbraw/zinc/86/84/87/519868487.db2.gz YBUBWCUWRMSVFX-CYBMUJFWSA-N 1 2 305.353 3.375 10 10 DGCELO CC(C)c1nc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)no1 ZINC000180031407 519868490 /nfs/dbraw/zinc/86/84/90/519868490.db2.gz YBUBWCUWRMSVFX-CYBMUJFWSA-N 1 2 305.353 3.375 10 10 DGCELO COc1cccc(C[N@@H+]2CCC[C@@H]2c2noc(C(C)C)n2)c1O ZINC000127843642 525939333 /nfs/dbraw/zinc/93/93/33/525939333.db2.gz UMKTVXBOBXDSOX-CYBMUJFWSA-N 1 2 317.389 3.244 10 10 DGCELO COc1cccc(C[N@H+]2CCC[C@@H]2c2noc(C(C)C)n2)c1O ZINC000127843642 525939344 /nfs/dbraw/zinc/93/93/44/525939344.db2.gz UMKTVXBOBXDSOX-CYBMUJFWSA-N 1 2 317.389 3.244 10 10 DGCELO Oc1c(Cl)cccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000158076721 526329207 /nfs/dbraw/zinc/32/92/07/526329207.db2.gz ZMOXDNRHWSOLLQ-UHFFFAOYSA-N 1 2 305.761 3.107 10 10 DGCELO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708055347 660917023 /nfs/dbraw/zinc/91/70/23/660917023.db2.gz CWPAVQIJGUPQIB-CPCISQLKSA-N 1 2 320.614 3.075 10 10 DGCELO CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000309900530 656098688 /nfs/dbraw/zinc/09/86/88/656098688.db2.gz HLJIZCHEVKWTRN-GHMZBOCLSA-N 1 2 302.237 3.138 10 10 DGCELO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1[NH+](C)C ZINC000251840275 660008835 /nfs/dbraw/zinc/00/88/35/660008835.db2.gz QJNMIAZIBFQRNK-NOZJJQNGSA-N 1 2 303.233 3.081 10 10 DGCELO C[N@H+](Cc1nccn1C(F)F)Cc1cc2c(cc1O)CCC2 ZINC000193260717 662128469 /nfs/dbraw/zinc/12/84/69/662128469.db2.gz TUTXXZAEDRNVIG-UHFFFAOYSA-N 1 2 307.344 3.105 10 10 DGCELO C[N@@H+](Cc1nccn1C(F)F)Cc1cc2c(cc1O)CCC2 ZINC000193260717 662128471 /nfs/dbraw/zinc/12/84/71/662128471.db2.gz TUTXXZAEDRNVIG-UHFFFAOYSA-N 1 2 307.344 3.105 10 10 DGCELO Cc1nc(NCc2ccccc2O)c(Br)c(C)[nH+]1 ZINC000322954047 1197689053 /nfs/dbraw/zinc/68/90/53/1197689053.db2.gz LQZZJQKNEKECFA-UHFFFAOYSA-N 1 2 308.179 3.174 10 10 DGCELO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1c1ccsc1 ZINC000190294558 432140648 /nfs/dbraw/zinc/14/06/48/432140648.db2.gz LLFHLDBIECSINX-KBPBESRZSA-N 1 2 323.845 3.315 10 10 DGCELO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1c1ccsc1 ZINC000190294558 432140650 /nfs/dbraw/zinc/14/06/50/432140650.db2.gz LLFHLDBIECSINX-KBPBESRZSA-N 1 2 323.845 3.315 10 10 DGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190335122 432145015 /nfs/dbraw/zinc/14/50/15/432145015.db2.gz GGGNWXUOEOIBQP-RTXFEEFZSA-N 1 2 302.201 3.356 10 10 DGCELO COc1ccc(Br)cc1COc1ccc[nH+]c1N ZINC000049595730 183745321 /nfs/dbraw/zinc/74/53/21/183745321.db2.gz RFAXHVTZIAZZET-UHFFFAOYSA-N 1 2 309.163 3.014 10 10 DGCELO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc(N2CCOCC2)cc1 ZINC000110289732 431187098 /nfs/dbraw/zinc/18/70/98/431187098.db2.gz YCNZTZUTFXAQAH-CQSZACIVSA-N 1 2 324.428 3.364 10 10 DGCELO Oc1cccc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000093457765 431915375 /nfs/dbraw/zinc/91/53/75/431915375.db2.gz YJIXIPNNHBXENB-KRWDZBQOSA-N 1 2 319.788 3.325 10 10 DGCELO Oc1cccc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000093457765 431915376 /nfs/dbraw/zinc/91/53/76/431915376.db2.gz YJIXIPNNHBXENB-KRWDZBQOSA-N 1 2 319.788 3.325 10 10 DGCELO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)no1 ZINC000180000050 526919976 /nfs/dbraw/zinc/91/99/76/526919976.db2.gz IODOEWZGAGGKAW-LBPRGKRZSA-N 1 2 321.808 3.192 10 10 DGCELO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)no1 ZINC000180000050 526919981 /nfs/dbraw/zinc/91/99/81/526919981.db2.gz IODOEWZGAGGKAW-LBPRGKRZSA-N 1 2 321.808 3.192 10 10 DGCELO Oc1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CCCOC1 ZINC000708055932 660917077 /nfs/dbraw/zinc/91/70/77/660917077.db2.gz HGKQWTXETSXCPC-SNVBAGLBSA-N 1 2 320.614 3.077 10 10 DGCELO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000158135010 661870179 /nfs/dbraw/zinc/87/01/79/661870179.db2.gz OGZUZJIKGFOHTQ-UHFFFAOYSA-N 1 2 306.749 3.286 10 10 DGCELO Cc1csc([C@@H]2COCC[N@@H+]2Cc2cccc(C)c2O)n1 ZINC000190402634 432151291 /nfs/dbraw/zinc/15/12/91/432151291.db2.gz CSHLEFFGRJWGNH-AWEZNQCLSA-N 1 2 304.415 3.039 10 10 DGCELO Cc1csc([C@@H]2COCC[N@H+]2Cc2cccc(C)c2O)n1 ZINC000190402634 432151295 /nfs/dbraw/zinc/15/12/95/432151295.db2.gz CSHLEFFGRJWGNH-AWEZNQCLSA-N 1 2 304.415 3.039 10 10 DGCELO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000092831536 431911659 /nfs/dbraw/zinc/91/16/59/431911659.db2.gz MVKKCMPQGOVIDU-ZDUSSCGKSA-N 1 2 310.806 3.076 10 10 DGCELO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000092831536 431911662 /nfs/dbraw/zinc/91/16/62/431911662.db2.gz MVKKCMPQGOVIDU-ZDUSSCGKSA-N 1 2 310.806 3.076 10 10 DGCELO COc1cccc(C[N@@H+]2CCC[C@H]2c2noc(C(C)C)n2)c1O ZINC000127843408 525942167 /nfs/dbraw/zinc/94/21/67/525942167.db2.gz UMKTVXBOBXDSOX-ZDUSSCGKSA-N 1 2 317.389 3.244 10 10 DGCELO COc1cccc(C[N@H+]2CCC[C@H]2c2noc(C(C)C)n2)c1O ZINC000127843408 525942171 /nfs/dbraw/zinc/94/21/71/525942171.db2.gz UMKTVXBOBXDSOX-ZDUSSCGKSA-N 1 2 317.389 3.244 10 10 DGCELO CO[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC[C@@H]1C ZINC000221137536 627215124 /nfs/dbraw/zinc/21/51/24/627215124.db2.gz KRPAYIRSWIVPTF-ZUZCIYMTSA-N 1 2 311.809 3.105 10 10 DGCELO CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC[C@@H]1C ZINC000221137536 627215128 /nfs/dbraw/zinc/21/51/28/627215128.db2.gz KRPAYIRSWIVPTF-ZUZCIYMTSA-N 1 2 311.809 3.105 10 10 DGCELO Oc1c(Br)cccc1C[NH2+]CC[C@H]1CCSC1 ZINC000704816331 660820552 /nfs/dbraw/zinc/82/05/52/660820552.db2.gz UXXHDMOZBFVCKD-JTQLQIEISA-N 1 2 316.264 3.388 10 10 DGCELO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708100166 660918074 /nfs/dbraw/zinc/91/80/74/660918074.db2.gz SLYDGESXEBDBPZ-ZETCQYMHSA-N 1 2 322.630 3.057 10 10 DGCELO CCc1nc(C2([NH2+]Cc3cc(C)ccc3O)CCCC2)no1 ZINC000113332030 431341892 /nfs/dbraw/zinc/34/18/92/431341892.db2.gz KXPPZTMQOXLZJC-UHFFFAOYSA-N 1 2 301.390 3.205 10 10 DGCELO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(F)c(F)c1O ZINC000249106595 432339819 /nfs/dbraw/zinc/33/98/19/432339819.db2.gz QPBFPMJBRLWMGG-PLVUELBSSA-N 1 2 309.356 3.279 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)F)C2)c1O ZINC000707170245 660892673 /nfs/dbraw/zinc/89/26/73/660892673.db2.gz IEOWJHLWPBRZFV-VIFPVBQESA-N 1 2 303.736 3.335 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)F)C2)c1O ZINC000707170245 660892674 /nfs/dbraw/zinc/89/26/74/660892674.db2.gz IEOWJHLWPBRZFV-VIFPVBQESA-N 1 2 303.736 3.335 10 10 DGCELO Oc1c(Br)cc(Cl)cc1C[NH2+][C@H]1CCCOC1 ZINC000708055930 660916895 /nfs/dbraw/zinc/91/68/95/660916895.db2.gz HGKQWTXETSXCPC-JTQLQIEISA-N 1 2 320.614 3.077 10 10 DGCELO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722402960 658951093 /nfs/dbraw/zinc/95/10/93/658951093.db2.gz BEDZYTSKWWQFQT-KOLCDFICSA-N 1 2 309.715 3.245 10 10 DGCELO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1O ZINC000245888789 659956754 /nfs/dbraw/zinc/95/67/54/659956754.db2.gz JETXGHBMIWWGAU-GWCFXTLKSA-N 1 2 315.244 3.368 10 10 DGCELO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1O ZINC000245888789 659956755 /nfs/dbraw/zinc/95/67/55/659956755.db2.gz JETXGHBMIWWGAU-GWCFXTLKSA-N 1 2 315.244 3.368 10 10 DGCELO Oc1c(F)cccc1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389927771 1108663858 /nfs/dbraw/zinc/66/38/58/1108663858.db2.gz FJJMAFIHMVSXEH-UHFFFAOYSA-N 1 2 311.360 3.066 10 10 DGCELO Oc1c(Br)ccc(Br)c1[C@H]1CCC[NH2+]1 ZINC000306204809 400123882 /nfs/dbraw/zinc/12/38/82/400123882.db2.gz OAJNSNLGVQBZAB-MRVPVSSYSA-N 1 2 321.012 3.342 10 10 DGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000230314927 432727637 /nfs/dbraw/zinc/72/76/37/432727637.db2.gz OXYKFUXTDMGHRP-TZMCWYRMSA-N 1 2 302.201 3.356 10 10 DGCELO Oc1c(Br)cccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701935022 660692920 /nfs/dbraw/zinc/69/29/20/660692920.db2.gz COSZEMQVTQILBB-VIFPVBQESA-N 1 2 306.150 3.290 10 10 DGCELO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000188875435 281290558 /nfs/dbraw/zinc/29/05/58/281290558.db2.gz SNJNUZHGPFBCAE-OAHLLOKOSA-N 1 2 314.341 3.222 10 10 DGCELO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(F)c(F)c1O ZINC000249106589 432339299 /nfs/dbraw/zinc/33/92/99/432339299.db2.gz QPBFPMJBRLWMGG-CWAOCDLLSA-N 1 2 309.356 3.279 10 10 DGCELO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000188948508 432755957 /nfs/dbraw/zinc/75/59/57/432755957.db2.gz SNJNUZHGPFBCAE-HNNXBMFYSA-N 1 2 314.341 3.222 10 10 DGCELO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1[NH+](C)C ZINC000131459564 626640342 /nfs/dbraw/zinc/64/03/42/626640342.db2.gz QJNMIAZIBFQRNK-RNCFNFMXSA-N 1 2 303.233 3.081 10 10 DGCELO CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708134273 1082615493 /nfs/dbraw/zinc/61/54/93/1082615493.db2.gz QQALGUQBLBGJGM-QMMMGPOBSA-N 1 2 322.630 3.275 10 10 DGCELO CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708134273 1082615497 /nfs/dbraw/zinc/61/54/97/1082615497.db2.gz QQALGUQBLBGJGM-QMMMGPOBSA-N 1 2 322.630 3.275 10 10 DGCELO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000191407037 432262527 /nfs/dbraw/zinc/26/25/27/432262527.db2.gz MCAPARDTJKRNEH-LBPRGKRZSA-N 1 2 322.767 3.233 10 10 DGCELO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(Cl)c(Cl)c1O ZINC000184996505 432453823 /nfs/dbraw/zinc/45/38/23/432453823.db2.gz NGHIRXRANQHXOF-QMMMGPOBSA-N 1 2 300.189 3.283 10 10 DGCELO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185683915 528333061 /nfs/dbraw/zinc/33/30/61/528333061.db2.gz JAYPRKSLQLJLFR-SMDDNHRTSA-N 1 2 318.396 3.432 10 10 DGCELO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000715735287 661214162 /nfs/dbraw/zinc/21/41/62/661214162.db2.gz DPMHSEDGXVTNJG-MRVPVSSYSA-N 1 2 324.140 3.429 10 10 DGCELO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000380806098 685154255 /nfs/dbraw/zinc/15/42/55/685154255.db2.gz LSJMPOSDJIXQJM-AWEZNQCLSA-N 1 2 315.244 3.225 10 10 DGCELO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000380806098 685154259 /nfs/dbraw/zinc/15/42/59/685154259.db2.gz LSJMPOSDJIXQJM-AWEZNQCLSA-N 1 2 315.244 3.225 10 10 DGCELO Oc1c(Br)cc(Br)cc1[C@@H]1CCC[NH2+]1 ZINC000238709726 400998944 /nfs/dbraw/zinc/99/89/44/400998944.db2.gz NKWHYXACQPMVDT-VIFPVBQESA-N 1 2 321.012 3.342 10 10 DGCELO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000191490527 432271459 /nfs/dbraw/zinc/27/14/59/432271459.db2.gz DKZFTOFPMJJOPV-LLVKDONJSA-N 1 2 309.772 3.046 10 10 DGCELO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000191490527 432271463 /nfs/dbraw/zinc/27/14/63/432271463.db2.gz DKZFTOFPMJJOPV-LLVKDONJSA-N 1 2 309.772 3.046 10 10 DGCELO CCC[C@@H]([NH2+]Cc1cc(OC)ccc1O)C(=O)OC(C)(C)C ZINC000154862622 520779804 /nfs/dbraw/zinc/77/98/04/520779804.db2.gz BXPJVQCWUWBYLD-CQSZACIVSA-N 1 2 309.406 3.001 10 10 DGCELO COc1ccc(C[NH2+]Cc2cccc(Cl)c2O)c(OC)c1 ZINC000158111635 661870043 /nfs/dbraw/zinc/87/00/43/661870043.db2.gz OMQPARKIGHARPB-UHFFFAOYSA-N 1 2 307.777 3.353 10 10 DGCELO CO[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708134271 1082616046 /nfs/dbraw/zinc/61/60/46/1082616046.db2.gz QQALGUQBLBGJGM-MRVPVSSYSA-N 1 2 322.630 3.275 10 10 DGCELO CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000708134271 1082616048 /nfs/dbraw/zinc/61/60/48/1082616048.db2.gz QQALGUQBLBGJGM-MRVPVSSYSA-N 1 2 322.630 3.275 10 10 DGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249464267 228632580 /nfs/dbraw/zinc/63/25/80/228632580.db2.gz GGGNWXUOEOIBQP-UHTWSYAYSA-N 1 2 302.201 3.356 10 10 DGCELO Cn1cc([C@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000191322762 432249619 /nfs/dbraw/zinc/24/96/19/432249619.db2.gz MTVWENICCGISEV-CYBMUJFWSA-N 1 2 309.772 3.255 10 10 DGCELO Cn1cc([C@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000191322762 432249620 /nfs/dbraw/zinc/24/96/20/432249620.db2.gz MTVWENICCGISEV-CYBMUJFWSA-N 1 2 309.772 3.255 10 10 DGCELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc(N(C)C)cc1)C2 ZINC000123277341 431860941 /nfs/dbraw/zinc/86/09/41/431860941.db2.gz VMNXXYFHHNQKDZ-UHFFFAOYSA-N 1 2 312.461 3.168 10 10 DGCELO CC(C)c1nc2c(n1C)CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000123277341 431860942 /nfs/dbraw/zinc/86/09/42/431860942.db2.gz VMNXXYFHHNQKDZ-UHFFFAOYSA-N 1 2 312.461 3.168 10 10 DGCELO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000123277341 431860943 /nfs/dbraw/zinc/86/09/43/431860943.db2.gz VMNXXYFHHNQKDZ-UHFFFAOYSA-N 1 2 312.461 3.168 10 10 DGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1O ZINC000175673210 432457129 /nfs/dbraw/zinc/45/71/29/432457129.db2.gz JEHINFUEVZOEOD-MRXNPFEDSA-N 1 2 317.364 3.184 10 10 DGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1O ZINC000175673210 432457134 /nfs/dbraw/zinc/45/71/34/432457134.db2.gz JEHINFUEVZOEOD-MRXNPFEDSA-N 1 2 317.364 3.184 10 10 DGCELO CCC[C@H]([NH2+]Cc1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000156569393 521164386 /nfs/dbraw/zinc/16/43/86/521164386.db2.gz RXXDVUWRTCYQTM-ZDUSSCGKSA-N 1 2 309.406 3.001 10 10 DGCELO CN(C)C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000158083747 521859389 /nfs/dbraw/zinc/85/93/89/521859389.db2.gz TXWHPACFTMNELJ-INIZCTEOSA-N 1 2 304.821 3.438 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)F)C2)c1O ZINC000707170243 660892421 /nfs/dbraw/zinc/89/24/21/660892421.db2.gz IEOWJHLWPBRZFV-SECBINFHSA-N 1 2 303.736 3.335 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)F)C2)c1O ZINC000707170243 660892424 /nfs/dbraw/zinc/89/24/24/660892424.db2.gz IEOWJHLWPBRZFV-SECBINFHSA-N 1 2 303.736 3.335 10 10 DGCELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(Br)c2O)o1 ZINC000227556195 659157314 /nfs/dbraw/zinc/15/73/14/659157314.db2.gz MFEZOICRDHJGTG-VIFPVBQESA-N 1 2 311.179 3.302 10 10 DGCELO Cc1csc([C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCO2)n1 ZINC000092789693 185341205 /nfs/dbraw/zinc/34/12/05/185341205.db2.gz QCNWFXXOJYMXJT-MRXNPFEDSA-N 1 2 317.458 3.091 10 10 DGCELO Cc1csc([C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)CCO2)n1 ZINC000092789693 185341206 /nfs/dbraw/zinc/34/12/06/185341206.db2.gz QCNWFXXOJYMXJT-MRXNPFEDSA-N 1 2 317.458 3.091 10 10 DGCELO Nc1ccc(CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020192427 182196218 /nfs/dbraw/zinc/19/62/18/182196218.db2.gz KRTMLVSRCYLHLT-UHFFFAOYSA-N 1 2 309.457 3.019 10 10 DGCELO C[NH2+]C[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000063166538 184275552 /nfs/dbraw/zinc/27/55/52/184275552.db2.gz RZTDCJJKLUTTSC-LBPRGKRZSA-N 1 2 303.233 3.273 10 10 DGCELO Oc1cccc([C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000180285126 228355834 /nfs/dbraw/zinc/35/58/34/228355834.db2.gz DBQPWYFUMYHVBI-INIZCTEOSA-N 1 2 319.788 3.325 10 10 DGCELO Oc1cccc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000180285126 228355835 /nfs/dbraw/zinc/35/58/35/228355835.db2.gz DBQPWYFUMYHVBI-INIZCTEOSA-N 1 2 319.788 3.325 10 10 DGCELO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722402956 658950847 /nfs/dbraw/zinc/95/08/47/658950847.db2.gz BEDZYTSKWWQFQT-GXSJLCMTSA-N 1 2 309.715 3.245 10 10 DGCELO C[NH2+]C[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000063166540 184275561 /nfs/dbraw/zinc/27/55/61/184275561.db2.gz RZTDCJJKLUTTSC-GFCCVEGCSA-N 1 2 303.233 3.273 10 10 DGCELO Oc1cccc([C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000093457766 431916495 /nfs/dbraw/zinc/91/64/95/431916495.db2.gz YJIXIPNNHBXENB-QGZVFWFLSA-N 1 2 319.788 3.325 10 10 DGCELO Oc1cccc([C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)c1 ZINC000093457766 431916496 /nfs/dbraw/zinc/91/64/96/431916496.db2.gz YJIXIPNNHBXENB-QGZVFWFLSA-N 1 2 319.788 3.325 10 10 DGCELO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(Cl)c(Cl)c1O ZINC000184996526 432453955 /nfs/dbraw/zinc/45/39/55/432453955.db2.gz NGHIRXRANQHXOF-MRVPVSSYSA-N 1 2 300.189 3.283 10 10 DGCELO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185142610 432469843 /nfs/dbraw/zinc/46/98/43/432469843.db2.gz IEGQAVQZGAAXPF-ZJUUUORDSA-N 1 2 303.233 3.444 10 10 DGCELO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185142610 432469845 /nfs/dbraw/zinc/46/98/45/432469845.db2.gz IEGQAVQZGAAXPF-ZJUUUORDSA-N 1 2 303.233 3.444 10 10 DGCELO CC1(C)N(Cc2ccccc2O)CC[N@@H+]1Cc1ccccc1O ZINC000584652217 337381091 /nfs/dbraw/zinc/38/10/91/337381091.db2.gz QVGFAYWMKRZRRQ-UHFFFAOYSA-N 1 2 312.413 3.152 10 10 DGCELO CC1(C)N(Cc2ccccc2O)CC[N@H+]1Cc1ccccc1O ZINC000584652217 337381092 /nfs/dbraw/zinc/38/10/92/337381092.db2.gz QVGFAYWMKRZRRQ-UHFFFAOYSA-N 1 2 312.413 3.152 10 10 DGCELO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)no1 ZINC000180000069 526923040 /nfs/dbraw/zinc/92/30/40/526923040.db2.gz IODOEWZGAGGKAW-GFCCVEGCSA-N 1 2 321.808 3.192 10 10 DGCELO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)no1 ZINC000180000069 526923044 /nfs/dbraw/zinc/92/30/44/526923044.db2.gz IODOEWZGAGGKAW-GFCCVEGCSA-N 1 2 321.808 3.192 10 10 DGCELO C[C@@H](C[NH2+]Cc1cccc(Br)c1O)c1ccccn1 ZINC000709612198 660929801 /nfs/dbraw/zinc/92/98/01/660929801.db2.gz WDDSHABDNALCGG-NSHDSACASA-N 1 2 321.218 3.443 10 10 DGCELO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000715768428 661214549 /nfs/dbraw/zinc/21/45/49/661214549.db2.gz DACOHVUUMBYJSA-AKZRSSKFSA-N 1 2 300.171 3.182 10 10 DGCELO CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000309900540 656098910 /nfs/dbraw/zinc/09/89/10/656098910.db2.gz HLJIZCHEVKWTRN-QWRGUYRKSA-N 1 2 302.237 3.138 10 10 DGCELO COc1cccc([C@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)c1 ZINC000180072329 228355153 /nfs/dbraw/zinc/35/51/53/228355153.db2.gz OMPUVMUVICFVIS-GOSISDBHSA-N 1 2 317.360 3.113 10 10 DGCELO COc1cccc([C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)c1 ZINC000180072329 228355154 /nfs/dbraw/zinc/35/51/54/228355154.db2.gz OMPUVMUVICFVIS-GOSISDBHSA-N 1 2 317.360 3.113 10 10 DGCELO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C3CCCC3)no2)c1 ZINC000182472052 660055756 /nfs/dbraw/zinc/05/57/56/660055756.db2.gz KXOMDNIBVGWVFX-NSHDSACASA-N 1 2 317.389 3.292 10 10 DGCELO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000092831537 431912487 /nfs/dbraw/zinc/91/24/87/431912487.db2.gz MVKKCMPQGOVIDU-CYBMUJFWSA-N 1 2 310.806 3.076 10 10 DGCELO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000092831537 431912489 /nfs/dbraw/zinc/91/24/89/431912489.db2.gz MVKKCMPQGOVIDU-CYBMUJFWSA-N 1 2 310.806 3.076 10 10 DGCELO C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1cscn1 ZINC000706804726 660873407 /nfs/dbraw/zinc/87/34/07/660873407.db2.gz NZEKRPPALLDRLR-MRVPVSSYSA-N 1 2 313.220 3.462 10 10 DGCELO CCOC[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708098297 660918104 /nfs/dbraw/zinc/91/81/04/660918104.db2.gz HFGIUPSGLGWXEN-QMMMGPOBSA-N 1 2 322.630 3.323 10 10 DGCELO Oc1c(Cl)cccc1C[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720266906 662307699 /nfs/dbraw/zinc/30/76/99/662307699.db2.gz COTHLXOQNPLDER-UHFFFAOYSA-N 1 2 319.657 3.307 10 10 DGCELO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708180236 1082640849 /nfs/dbraw/zinc/64/08/49/1082640849.db2.gz XEDIPTXZLBVICQ-PWSUYJOCSA-N 1 2 320.614 3.075 10 10 DGCELO CN(C)c1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000185876084 529782174 /nfs/dbraw/zinc/78/21/74/529782174.db2.gz FLUSGJCZBUBVTP-UHFFFAOYSA-N 1 2 318.424 3.499 10 10 DGCELO Cc1cc(O)c(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cc1C ZINC000153020995 432377333 /nfs/dbraw/zinc/37/73/33/432377333.db2.gz BURNQASDUBBDIS-UHFFFAOYSA-N 1 2 313.445 3.424 10 10 DGCELO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185142586 432470573 /nfs/dbraw/zinc/47/05/73/432470573.db2.gz IEGQAVQZGAAXPF-UWVGGRQHSA-N 1 2 303.233 3.444 10 10 DGCELO C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185142586 432470577 /nfs/dbraw/zinc/47/05/77/432470577.db2.gz IEGQAVQZGAAXPF-UWVGGRQHSA-N 1 2 303.233 3.444 10 10 DGCELO COc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000158070202 524073281 /nfs/dbraw/zinc/07/32/81/524073281.db2.gz AOSUKJBPYLTSDA-UHFFFAOYSA-N 1 2 307.777 3.353 10 10 DGCELO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)c1 ZINC000180140739 526265897 /nfs/dbraw/zinc/26/58/97/526265897.db2.gz VGGHVJMUJQFXTP-CQSZACIVSA-N 1 2 305.809 3.388 10 10 DGCELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)c1 ZINC000180140739 526265900 /nfs/dbraw/zinc/26/59/00/526265900.db2.gz VGGHVJMUJQFXTP-CQSZACIVSA-N 1 2 305.809 3.388 10 10 DGCELO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1O ZINC000156074521 661857794 /nfs/dbraw/zinc/85/77/94/661857794.db2.gz JETXGHBMIWWGAU-ZWNOBZJWSA-N 1 2 315.244 3.368 10 10 DGCELO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1O ZINC000156074521 661857795 /nfs/dbraw/zinc/85/77/95/661857795.db2.gz JETXGHBMIWWGAU-ZWNOBZJWSA-N 1 2 315.244 3.368 10 10 DGCELO Cc1csc([C@H]2COCC[N@@H+]2Cc2cccc(C)c2O)n1 ZINC000190402612 432151510 /nfs/dbraw/zinc/15/15/10/432151510.db2.gz CSHLEFFGRJWGNH-CQSZACIVSA-N 1 2 304.415 3.039 10 10 DGCELO Cc1csc([C@H]2COCC[N@H+]2Cc2cccc(C)c2O)n1 ZINC000190402612 432151515 /nfs/dbraw/zinc/15/15/15/432151515.db2.gz CSHLEFFGRJWGNH-CQSZACIVSA-N 1 2 304.415 3.039 10 10 DGCELO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1nnc2n1CCCC2 ZINC000187738938 337269628 /nfs/dbraw/zinc/26/96/28/337269628.db2.gz PNVROBRFAKPNIE-VHSXEESVSA-N 1 2 322.359 3.010 10 10 DGCELO CC(C)c1nc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)no1 ZINC000180031388 519867262 /nfs/dbraw/zinc/86/72/62/519867262.db2.gz YBUBWCUWRMSVFX-ZDUSSCGKSA-N 1 2 305.353 3.375 10 10 DGCELO CC(C)c1nc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)no1 ZINC000180031388 519867264 /nfs/dbraw/zinc/86/72/64/519867264.db2.gz YBUBWCUWRMSVFX-ZDUSSCGKSA-N 1 2 305.353 3.375 10 10 DGCELO CSC1CC([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715735058 661213993 /nfs/dbraw/zinc/21/39/93/661213993.db2.gz CKEACLXAGPSJRQ-UHFFFAOYSA-N 1 2 320.227 3.277 10 10 DGCELO C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1[NH+](C)C ZINC000251840279 657541573 /nfs/dbraw/zinc/54/15/73/657541573.db2.gz QJNMIAZIBFQRNK-TVQRCGJNSA-N 1 2 303.233 3.081 10 10 DGCELO COc1ccc([N@H+](CC[C@H]2CCOC2=O)[C@@H](C)C2CC2)cc1 ZINC000247096261 432201636 /nfs/dbraw/zinc/20/16/36/432201636.db2.gz YUFFJVDRCMWMIP-ZFWWWQNUSA-N 1 2 303.402 3.253 10 10 DGCELO COc1ccc([N@@H+](CC[C@H]2CCOC2=O)[C@@H](C)C2CC2)cc1 ZINC000247096261 432201640 /nfs/dbraw/zinc/20/16/40/432201640.db2.gz YUFFJVDRCMWMIP-ZFWWWQNUSA-N 1 2 303.402 3.253 10 10 DGCELO COc1ccc([N@H+](CC[C@@H]2CCOC2=O)[C@@H](C)C2CC2)cc1 ZINC000120533803 431731933 /nfs/dbraw/zinc/73/19/33/431731933.db2.gz YUFFJVDRCMWMIP-DZGCQCFKSA-N 1 2 303.402 3.253 10 10 DGCELO COc1ccc([N@@H+](CC[C@@H]2CCOC2=O)[C@@H](C)C2CC2)cc1 ZINC000120533803 431731939 /nfs/dbraw/zinc/73/19/39/431731939.db2.gz YUFFJVDRCMWMIP-DZGCQCFKSA-N 1 2 303.402 3.253 10 10 DGCELO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708055350 660916944 /nfs/dbraw/zinc/91/69/44/660916944.db2.gz CWPAVQIJGUPQIB-WRWORJQWSA-N 1 2 320.614 3.075 10 10 DGCELO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1O ZINC000245888794 659956884 /nfs/dbraw/zinc/95/68/84/659956884.db2.gz JETXGHBMIWWGAU-MFKMUULPSA-N 1 2 315.244 3.368 10 10 DGCELO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1O ZINC000245888794 659956888 /nfs/dbraw/zinc/95/68/88/659956888.db2.gz JETXGHBMIWWGAU-MFKMUULPSA-N 1 2 315.244 3.368 10 10 DGCELO CC(C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000059811653 184140899 /nfs/dbraw/zinc/14/08/99/184140899.db2.gz MYYNDRIHKPRIAC-UHFFFAOYSA-N 1 2 323.028 3.415 10 10 DGCELO Oc1c(Br)cc(Br)cc1[C@H]1CCC[NH2+]1 ZINC000238709789 400999480 /nfs/dbraw/zinc/99/94/80/400999480.db2.gz NKWHYXACQPMVDT-SECBINFHSA-N 1 2 321.012 3.342 10 10 DGCELO Oc1cccc([C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000180285146 228355800 /nfs/dbraw/zinc/35/58/00/228355800.db2.gz DBQPWYFUMYHVBI-MRXNPFEDSA-N 1 2 319.788 3.325 10 10 DGCELO Oc1cccc([C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)c1 ZINC000180285146 228355802 /nfs/dbraw/zinc/35/58/02/228355802.db2.gz DBQPWYFUMYHVBI-MRXNPFEDSA-N 1 2 319.788 3.325 10 10 DGCELO Cc1cc(Cl)cc(C[N@@H+](C)Cc2ncc(Cl)n2C)c1O ZINC000181148325 524863214 /nfs/dbraw/zinc/86/32/14/524863214.db2.gz BQUKLYRACJDWQL-UHFFFAOYSA-N 1 2 314.216 3.373 10 10 DGCELO Cc1cc(Cl)cc(C[N@H+](C)Cc2ncc(Cl)n2C)c1O ZINC000181148325 524863226 /nfs/dbraw/zinc/86/32/26/524863226.db2.gz BQUKLYRACJDWQL-UHFFFAOYSA-N 1 2 314.216 3.373 10 10 DGCELO Oc1c(Cl)cccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000180125668 526326152 /nfs/dbraw/zinc/32/61/52/526326152.db2.gz DANGAJBEUUFOOS-UHFFFAOYSA-N 1 2 305.809 3.154 10 10 DGCELO CSCCCC[NH2+]Cc1cccc(Br)c1O ZINC000124929446 623258141 /nfs/dbraw/zinc/25/81/41/623258141.db2.gz YXUPWYQDBZVIMM-UHFFFAOYSA-N 1 2 304.253 3.388 10 10 DGCELO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000715735892 661214286 /nfs/dbraw/zinc/21/42/86/661214286.db2.gz DPMHSEDGXVTNJG-QMMMGPOBSA-N 1 2 324.140 3.429 10 10 DGCELO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722402968 656716728 /nfs/dbraw/zinc/71/67/28/656716728.db2.gz BEDZYTSKWWQFQT-ONGXEEELSA-N 1 2 309.715 3.245 10 10 DGCELO Cc1csc([C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCO2)n1 ZINC000092789692 185341414 /nfs/dbraw/zinc/34/14/14/185341414.db2.gz QCNWFXXOJYMXJT-INIZCTEOSA-N 1 2 317.458 3.091 10 10 DGCELO Cc1csc([C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)CCO2)n1 ZINC000092789692 185341415 /nfs/dbraw/zinc/34/14/15/185341415.db2.gz QCNWFXXOJYMXJT-INIZCTEOSA-N 1 2 317.458 3.091 10 10 DGCELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000191322746 432249479 /nfs/dbraw/zinc/24/94/79/432249479.db2.gz MTVWENICCGISEV-ZDUSSCGKSA-N 1 2 309.772 3.255 10 10 DGCELO Cn1cc([C@@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000191322746 432249483 /nfs/dbraw/zinc/24/94/83/432249483.db2.gz MTVWENICCGISEV-ZDUSSCGKSA-N 1 2 309.772 3.255 10 10 DGCELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cccc(Cl)c1O)C2 ZINC000180157116 278075293 /nfs/dbraw/zinc/07/52/93/278075293.db2.gz QPMBFRXXMNRCES-UHFFFAOYSA-N 1 2 319.836 3.461 10 10 DGCELO Cc1cnn([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)c1 ZINC000180140757 526268150 /nfs/dbraw/zinc/26/81/50/526268150.db2.gz VGGHVJMUJQFXTP-AWEZNQCLSA-N 1 2 305.809 3.388 10 10 DGCELO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)c1 ZINC000180140757 526268152 /nfs/dbraw/zinc/26/81/52/526268152.db2.gz VGGHVJMUJQFXTP-AWEZNQCLSA-N 1 2 305.809 3.388 10 10 DGCELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc(Cl)ccc1O)C2 ZINC000123311249 622508043 /nfs/dbraw/zinc/50/80/43/622508043.db2.gz MSOJFBGYPWMAJC-UHFFFAOYSA-N 1 2 319.836 3.461 10 10 DGCELO Cc1ccccc1-c1nc(C[N@@H+](C)Cc2ccccc2O)no1 ZINC000128446439 624965118 /nfs/dbraw/zinc/96/51/18/624965118.db2.gz GHVZRMOGDTXFQG-UHFFFAOYSA-N 1 2 309.369 3.383 10 10 DGCELO Cc1ccccc1-c1nc(C[N@H+](C)Cc2ccccc2O)no1 ZINC000128446439 624965124 /nfs/dbraw/zinc/96/51/24/624965124.db2.gz GHVZRMOGDTXFQG-UHFFFAOYSA-N 1 2 309.369 3.383 10 10 DGCELO C[C@H](C[NH2+]Cc1cccc(Br)c1O)c1ccccn1 ZINC000709612196 660930013 /nfs/dbraw/zinc/93/00/13/660930013.db2.gz WDDSHABDNALCGG-LLVKDONJSA-N 1 2 321.218 3.443 10 10 DGCELO CN(CC[N@H+](C)Cc1ccc(F)cc1)Cc1ccccc1O ZINC000160540305 655652873 /nfs/dbraw/zinc/65/28/73/655652873.db2.gz ZQAZRQCSYWTNTK-UHFFFAOYSA-N 1 2 302.393 3.095 10 10 DGCELO CN(CC[N@@H+](C)Cc1ccc(F)cc1)Cc1ccccc1O ZINC000160540305 655652875 /nfs/dbraw/zinc/65/28/75/655652875.db2.gz ZQAZRQCSYWTNTK-UHFFFAOYSA-N 1 2 302.393 3.095 10 10 DGCELO C[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1(F)F ZINC000715823839 661215027 /nfs/dbraw/zinc/21/50/27/661215027.db2.gz ABOFDBWBUSXFPV-NSHDSACASA-N 1 2 324.140 3.429 10 10 DGCELO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000720148148 662302883 /nfs/dbraw/zinc/30/28/83/662302883.db2.gz JMEQFMKQWONIDK-MRVPVSSYSA-N 1 2 320.202 3.197 10 10 DGCELO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1O ZINC000179780524 432070332 /nfs/dbraw/zinc/07/03/32/432070332.db2.gz JGOXANQBSOWPJV-LBPRGKRZSA-N 1 2 305.809 3.457 10 10 DGCELO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1O ZINC000179780524 432070333 /nfs/dbraw/zinc/07/03/33/432070333.db2.gz JGOXANQBSOWPJV-LBPRGKRZSA-N 1 2 305.809 3.457 10 10 DGCELO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000180008244 228354409 /nfs/dbraw/zinc/35/44/09/228354409.db2.gz BQWJYWDPVDHLME-CYBMUJFWSA-N 1 2 324.833 3.384 10 10 DGCELO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000180008244 228354411 /nfs/dbraw/zinc/35/44/11/228354411.db2.gz BQWJYWDPVDHLME-CYBMUJFWSA-N 1 2 324.833 3.384 10 10 DGCELO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1n1ccnc1 ZINC000245863840 432866540 /nfs/dbraw/zinc/86/65/40/432866540.db2.gz PNIDRYUWTMGIGT-SWLSCSKDSA-N 1 2 305.809 3.325 10 10 DGCELO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1n1ccnc1 ZINC000245863840 432866541 /nfs/dbraw/zinc/86/65/41/432866541.db2.gz PNIDRYUWTMGIGT-SWLSCSKDSA-N 1 2 305.809 3.325 10 10 DGCELO CCc1nc(C2([NH2+]Cc3cc(F)ccc3O)CCCC2)no1 ZINC000180598941 522244417 /nfs/dbraw/zinc/24/44/17/522244417.db2.gz MTILFKDYQKWUOC-UHFFFAOYSA-N 1 2 305.353 3.036 10 10 DGCELO Cc1cnc([C@@H](C)[NH2+]Cc2c(O)cccc2Br)o1 ZINC000706821458 660873714 /nfs/dbraw/zinc/87/37/14/660873714.db2.gz HFDBMVINOIILLL-SECBINFHSA-N 1 2 311.179 3.302 10 10 DGCELO Cc1csc([C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)n1 ZINC000092789995 431911454 /nfs/dbraw/zinc/91/14/54/431911454.db2.gz XPKVLRRCXFJXQJ-CQSZACIVSA-N 1 2 324.833 3.384 10 10 DGCELO Cc1csc([C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)n1 ZINC000092789995 431911456 /nfs/dbraw/zinc/91/14/56/431911456.db2.gz XPKVLRRCXFJXQJ-CQSZACIVSA-N 1 2 324.833 3.384 10 10 DGCELO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1n1ccnc1 ZINC000245863832 432865996 /nfs/dbraw/zinc/86/59/96/432865996.db2.gz PNIDRYUWTMGIGT-IUODEOHRSA-N 1 2 305.809 3.325 10 10 DGCELO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1n1ccnc1 ZINC000245863832 432865998 /nfs/dbraw/zinc/86/59/98/432865998.db2.gz PNIDRYUWTMGIGT-IUODEOHRSA-N 1 2 305.809 3.325 10 10 DGCELO COc1ccc(N2CCCN(c3cc[nH+]c(C4CC4)n3)CC2)cc1 ZINC000301228275 433460776 /nfs/dbraw/zinc/46/07/76/433460776.db2.gz GDYAECOQHXHAJC-UHFFFAOYSA-N 1 2 324.428 3.079 10 10 DGCELO C[C@H]([NH2+]Cc1c(O)cccc1Br)c1cscn1 ZINC000706804729 660873464 /nfs/dbraw/zinc/87/34/64/660873464.db2.gz NZEKRPPALLDRLR-QMMMGPOBSA-N 1 2 313.220 3.462 10 10 DGCELO Oc1c(F)cc(Br)cc1C[NH2+]CC1=CCCC1 ZINC000715724240 1090901765 /nfs/dbraw/zinc/90/17/65/1090901765.db2.gz ZNONDAYSLJIPOV-UHFFFAOYSA-N 1 2 300.171 3.494 10 10 DGCELO Cc1cccnc1CC[NH2+]Cc1cccc(Br)c1O ZINC000404626191 1094263083 /nfs/dbraw/zinc/26/30/83/1094263083.db2.gz RMWKZBYCLCBVGG-UHFFFAOYSA-N 1 2 321.218 3.190 10 10 DGCELO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000180008225 228353841 /nfs/dbraw/zinc/35/38/41/228353841.db2.gz BQWJYWDPVDHLME-ZDUSSCGKSA-N 1 2 324.833 3.384 10 10 DGCELO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000180008225 228353844 /nfs/dbraw/zinc/35/38/44/228353844.db2.gz BQWJYWDPVDHLME-ZDUSSCGKSA-N 1 2 324.833 3.384 10 10 DGCELO CCC[C@H]([NH2+]Cc1cc(OC)ccc1O)C(=O)OC(C)(C)C ZINC000154862505 432526705 /nfs/dbraw/zinc/52/67/05/432526705.db2.gz BXPJVQCWUWBYLD-AWEZNQCLSA-N 1 2 309.406 3.001 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1O ZINC000227156246 432710358 /nfs/dbraw/zinc/71/03/58/432710358.db2.gz KPVKPOHRXDEQQL-CABCVRRESA-N 1 2 309.793 3.002 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1O ZINC000227156246 432710359 /nfs/dbraw/zinc/71/03/59/432710359.db2.gz KPVKPOHRXDEQQL-CABCVRRESA-N 1 2 309.793 3.002 10 10 DGCELO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1nnc2n1CCCC2 ZINC000187738903 337269711 /nfs/dbraw/zinc/26/97/11/337269711.db2.gz PNVROBRFAKPNIE-UWVGGRQHSA-N 1 2 322.359 3.010 10 10 DGCELO CCc1nc(C2([NH2+]Cc3cccc(C)c3O)CCCC2)no1 ZINC000181794758 522242406 /nfs/dbraw/zinc/24/24/06/522242406.db2.gz ZNXAIFXEIXDJPJ-UHFFFAOYSA-N 1 2 301.390 3.205 10 10 DGCELO C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C1CC1 ZINC000715746559 1090946567 /nfs/dbraw/zinc/94/65/67/1090946567.db2.gz REGKAQSIVMRGKD-MRVPVSSYSA-N 1 2 302.187 3.430 10 10 DGCELO Oc1c(F)cc(Br)cc1C[NH2+]C/C=C\C1CC1 ZINC000715805505 1091009475 /nfs/dbraw/zinc/00/94/75/1091009475.db2.gz XGDCXGCWWILYPS-UPHRSURJSA-N 1 2 300.171 3.350 10 10 DGCELO COc1ccc2c(c1)CCN2Cc1[nH+]ccn1CC(F)(F)F ZINC000171381761 432129433 /nfs/dbraw/zinc/12/94/33/432129433.db2.gz DEFAZVOHQCVGBD-UHFFFAOYSA-N 1 2 311.307 3.017 10 10 DGCELO c1ccc(-c2cnc(C[NH2+]Cc3ccc4c(c3)CCO4)nc2)cc1 ZINC000185872525 228399697 /nfs/dbraw/zinc/39/96/97/228399697.db2.gz ISDDFDHGTKQRIZ-UHFFFAOYSA-N 1 2 317.392 3.368 10 10 DGCELO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1cc(F)ccc1O ZINC000180139093 523558256 /nfs/dbraw/zinc/55/82/56/523558256.db2.gz GLILCYJQLFAICU-UHFFFAOYSA-N 1 2 306.406 3.499 10 10 DGCELO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1cc(F)ccc1O ZINC000180139093 523558271 /nfs/dbraw/zinc/55/82/71/523558271.db2.gz GLILCYJQLFAICU-UHFFFAOYSA-N 1 2 306.406 3.499 10 10 DGCELO Cc1csc([C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)n1 ZINC000179975233 526445208 /nfs/dbraw/zinc/44/52/08/526445208.db2.gz GHDGZPOHJKFFTM-CYBMUJFWSA-N 1 2 324.833 3.384 10 10 DGCELO Cc1csc([C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)n1 ZINC000179975233 526445215 /nfs/dbraw/zinc/44/52/15/526445215.db2.gz GHDGZPOHJKFFTM-CYBMUJFWSA-N 1 2 324.833 3.384 10 10 DGCELO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185683896 528331875 /nfs/dbraw/zinc/33/18/75/528331875.db2.gz JAYPRKSLQLJLFR-FZMZJTMJSA-N 1 2 318.396 3.432 10 10 DGCELO Oc1c(Br)cccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701935020 660693121 /nfs/dbraw/zinc/69/31/21/660693121.db2.gz COSZEMQVTQILBB-SECBINFHSA-N 1 2 306.150 3.290 10 10 DGCELO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000179987203 432075920 /nfs/dbraw/zinc/07/59/20/432075920.db2.gz BMSKWFKKLNPEHG-ZDUSSCGKSA-N 1 2 317.820 3.375 10 10 DGCELO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000179987203 432075921 /nfs/dbraw/zinc/07/59/21/432075921.db2.gz BMSKWFKKLNPEHG-ZDUSSCGKSA-N 1 2 317.820 3.375 10 10 DGCELO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc(N2CCOCC2)cc1 ZINC000110289731 431186795 /nfs/dbraw/zinc/18/67/95/431186795.db2.gz YCNZTZUTFXAQAH-AWEZNQCLSA-N 1 2 324.428 3.364 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1O ZINC000227156239 432709594 /nfs/dbraw/zinc/70/95/94/432709594.db2.gz KPVKPOHRXDEQQL-HUUCEWRRSA-N 1 2 309.793 3.002 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1O ZINC000227156239 432709599 /nfs/dbraw/zinc/70/95/99/432709599.db2.gz KPVKPOHRXDEQQL-HUUCEWRRSA-N 1 2 309.793 3.002 10 10 DGCELO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000368529161 434577488 /nfs/dbraw/zinc/57/74/88/434577488.db2.gz YPICMJUKXPVRDT-TVQRCGJNSA-N 1 2 302.201 3.310 10 10 DGCELO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000368529161 434577495 /nfs/dbraw/zinc/57/74/95/434577495.db2.gz YPICMJUKXPVRDT-TVQRCGJNSA-N 1 2 302.201 3.310 10 10 DGCELO Cn1nccc1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179981496 303065300 /nfs/dbraw/zinc/06/53/00/303065300.db2.gz LLDBTFDIITZGCH-UHFFFAOYSA-N 1 2 305.809 3.159 10 10 DGCELO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185683931 528331136 /nfs/dbraw/zinc/33/11/36/528331136.db2.gz JAYPRKSLQLJLFR-RISCZKNCSA-N 1 2 318.396 3.432 10 10 DGCELO C[C@H]1C[N@H+](Cc2cccc(Br)c2O)CCS1 ZINC000131378344 626632182 /nfs/dbraw/zinc/63/21/82/626632182.db2.gz DQDPTPINDPWGNN-VIFPVBQESA-N 1 2 302.237 3.092 10 10 DGCELO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CCS1 ZINC000131378344 626632185 /nfs/dbraw/zinc/63/21/85/626632185.db2.gz DQDPTPINDPWGNN-VIFPVBQESA-N 1 2 302.237 3.092 10 10 DGCELO C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1[NH+](C)C ZINC000131459774 626640110 /nfs/dbraw/zinc/64/01/10/626640110.db2.gz QJNMIAZIBFQRNK-ZANVPECISA-N 1 2 303.233 3.081 10 10 DGCELO Cc1cnc([C@H](C)[NH2+]Cc2c(O)cccc2Br)o1 ZINC000706821468 660873801 /nfs/dbraw/zinc/87/38/01/660873801.db2.gz HFDBMVINOIILLL-VIFPVBQESA-N 1 2 311.179 3.302 10 10 DGCELO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000397931396 685232876 /nfs/dbraw/zinc/23/28/76/685232876.db2.gz BULULHQRMDGFMB-SNVBAGLBSA-N 1 2 306.150 3.432 10 10 DGCELO CCCCOCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715746774 1090946898 /nfs/dbraw/zinc/94/68/98/1090946898.db2.gz UAWUKWKQJZQSNK-UHFFFAOYSA-N 1 2 320.202 3.200 10 10 DGCELO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000079438229 185171520 /nfs/dbraw/zinc/17/15/20/185171520.db2.gz VPOOWDSGBHYBHW-UHFFFAOYSA-N 1 2 322.767 3.414 10 10 DGCELO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000079438229 185171521 /nfs/dbraw/zinc/17/15/21/185171521.db2.gz VPOOWDSGBHYBHW-UHFFFAOYSA-N 1 2 322.767 3.414 10 10 DGCELO CC[C@@H]([NH3+])c1cc(Br)cc(Br)c1O ZINC000060309428 401106337 /nfs/dbraw/zinc/10/63/37/401106337.db2.gz LRAUEPFTVNBFOK-MRVPVSSYSA-N 1 2 309.001 3.327 10 10 DGCELO CC[N@H+](CC(=O)OC)Cc1cc2oc3ccccc3c2cc1O ZINC000728709252 576196683 /nfs/dbraw/zinc/19/66/83/576196683.db2.gz SLXKHWUOHYRROA-UHFFFAOYSA-N 1 2 313.353 3.287 10 10 DGCELO CC[N@@H+](CC(=O)OC)Cc1cc2oc3ccccc3c2cc1O ZINC000728709252 576196684 /nfs/dbraw/zinc/19/66/84/576196684.db2.gz SLXKHWUOHYRROA-UHFFFAOYSA-N 1 2 313.353 3.287 10 10 DGCELO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1O ZINC000179780542 432069957 /nfs/dbraw/zinc/06/99/57/432069957.db2.gz JGOXANQBSOWPJV-GFCCVEGCSA-N 1 2 305.809 3.457 10 10 DGCELO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1O ZINC000179780542 432069958 /nfs/dbraw/zinc/06/99/58/432069958.db2.gz JGOXANQBSOWPJV-GFCCVEGCSA-N 1 2 305.809 3.457 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1O ZINC000043426174 431868330 /nfs/dbraw/zinc/86/83/30/431868330.db2.gz KPVKPOHRXDEQQL-GJZGRUSLSA-N 1 2 309.793 3.002 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1O ZINC000043426174 431868333 /nfs/dbraw/zinc/86/83/33/431868333.db2.gz KPVKPOHRXDEQQL-GJZGRUSLSA-N 1 2 309.793 3.002 10 10 DGCELO Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738950135 574887352 /nfs/dbraw/zinc/88/73/52/574887352.db2.gz RPWCFPDFGZCRBD-UHFFFAOYSA-N 1 2 323.400 3.030 10 10 DGCELO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708055349 660917004 /nfs/dbraw/zinc/91/70/04/660917004.db2.gz CWPAVQIJGUPQIB-RDDDGLTNSA-N 1 2 320.614 3.075 10 10 DGCELO CS[C@H]1CC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000309900534 656125445 /nfs/dbraw/zinc/12/54/45/656125445.db2.gz HLJIZCHEVKWTRN-MNOVXSKESA-N 1 2 302.237 3.138 10 10 DGCELO COC(C)(C)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000720148149 662302684 /nfs/dbraw/zinc/30/26/84/662302684.db2.gz JMEQFMKQWONIDK-QMMMGPOBSA-N 1 2 320.202 3.197 10 10 DGCELO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000380806103 685153775 /nfs/dbraw/zinc/15/37/75/685153775.db2.gz LSJMPOSDJIXQJM-CQSZACIVSA-N 1 2 315.244 3.225 10 10 DGCELO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000380806103 685153779 /nfs/dbraw/zinc/15/37/79/685153779.db2.gz LSJMPOSDJIXQJM-CQSZACIVSA-N 1 2 315.244 3.225 10 10 DGCELO CS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCC[NH2+]3)cc1 ZINC000071215007 533450292 /nfs/dbraw/zinc/45/02/92/533450292.db2.gz QTEKWELBKZWJOZ-UHFFFAOYSA-N 1 2 302.399 3.192 10 10 DGCELO Oc1c(Br)cccc1C[NH2+][C@H]1CCCC1(F)F ZINC000397931395 685232724 /nfs/dbraw/zinc/23/27/24/685232724.db2.gz BULULHQRMDGFMB-JTQLQIEISA-N 1 2 306.150 3.432 10 10 DGCELO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000191407019 432262035 /nfs/dbraw/zinc/26/20/35/432262035.db2.gz MCAPARDTJKRNEH-GFCCVEGCSA-N 1 2 322.767 3.233 10 10 DGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000230314940 432726883 /nfs/dbraw/zinc/72/68/83/432726883.db2.gz OXYKFUXTDMGHRP-JSGCOSHPSA-N 1 2 302.201 3.356 10 10 DGCELO CCC[C@@H]([NH2+]Cc1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000156569505 520782500 /nfs/dbraw/zinc/78/25/00/520782500.db2.gz RXXDVUWRTCYQTM-CYBMUJFWSA-N 1 2 309.406 3.001 10 10 DGCELO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000180008074 526327010 /nfs/dbraw/zinc/32/70/10/526327010.db2.gz BWCWCJRZFVQLMZ-GFCCVEGCSA-N 1 2 310.806 3.076 10 10 DGCELO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000180008074 526327013 /nfs/dbraw/zinc/32/70/13/526327013.db2.gz BWCWCJRZFVQLMZ-GFCCVEGCSA-N 1 2 310.806 3.076 10 10 DGCELO Oc1ccc(F)cc1C[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000180599353 526349146 /nfs/dbraw/zinc/34/91/46/526349146.db2.gz FOTCXIQXPGXOEY-UHFFFAOYSA-N 1 2 317.364 3.351 10 10 DGCELO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708055348 660916808 /nfs/dbraw/zinc/91/68/08/660916808.db2.gz CWPAVQIJGUPQIB-HQJQHLMTSA-N 1 2 320.614 3.075 10 10 DGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190335091 432145221 /nfs/dbraw/zinc/14/52/21/432145221.db2.gz GGGNWXUOEOIBQP-RAIGVLPGSA-N 1 2 302.201 3.356 10 10 DGCELO Cc1csc([C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)n1 ZINC000179975220 526424152 /nfs/dbraw/zinc/42/41/52/526424152.db2.gz GHDGZPOHJKFFTM-ZDUSSCGKSA-N 1 2 324.833 3.384 10 10 DGCELO Cc1csc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)n1 ZINC000179975220 526424155 /nfs/dbraw/zinc/42/41/55/526424155.db2.gz GHDGZPOHJKFFTM-ZDUSSCGKSA-N 1 2 324.833 3.384 10 10 DGCELO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000191490544 432271381 /nfs/dbraw/zinc/27/13/81/432271381.db2.gz DKZFTOFPMJJOPV-NSHDSACASA-N 1 2 309.772 3.046 10 10 DGCELO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000191490544 432271386 /nfs/dbraw/zinc/27/13/86/432271386.db2.gz DKZFTOFPMJJOPV-NSHDSACASA-N 1 2 309.772 3.046 10 10 DGCELO COc1cccc([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)c1 ZINC000180072315 533734330 /nfs/dbraw/zinc/73/43/30/533734330.db2.gz OMPUVMUVICFVIS-SFHVURJKSA-N 1 2 317.360 3.113 10 10 DGCELO COc1cccc([C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)c1 ZINC000180072315 533734339 /nfs/dbraw/zinc/73/43/39/533734339.db2.gz OMPUVMUVICFVIS-SFHVURJKSA-N 1 2 317.360 3.113 10 10 DGCELO C[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1(F)F ZINC000715823838 661215149 /nfs/dbraw/zinc/21/51/49/661215149.db2.gz ABOFDBWBUSXFPV-LLVKDONJSA-N 1 2 324.140 3.429 10 10 DGCELO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C3CCCC3)no2)c1 ZINC000182472071 660055832 /nfs/dbraw/zinc/05/58/32/660055832.db2.gz KXOMDNIBVGWVFX-LLVKDONJSA-N 1 2 317.389 3.292 10 10 DGCELO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1O ZINC000156074658 661857997 /nfs/dbraw/zinc/85/79/97/661857997.db2.gz JETXGHBMIWWGAU-GXFFZTMASA-N 1 2 315.244 3.368 10 10 DGCELO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1O ZINC000156074658 661857998 /nfs/dbraw/zinc/85/79/98/661857998.db2.gz JETXGHBMIWWGAU-GXFFZTMASA-N 1 2 315.244 3.368 10 10 DGCELO COCC(C)(C)CC[NH2+]Cc1cccc(Br)c1O ZINC000718761313 662261507 /nfs/dbraw/zinc/26/15/07/662261507.db2.gz YGAVHYFOEDIMBQ-UHFFFAOYSA-N 1 2 316.239 3.307 10 10 DGCELO CC[C@H]([NH3+])c1cc(Br)cc(Br)c1O ZINC000060309426 401106170 /nfs/dbraw/zinc/10/61/70/401106170.db2.gz LRAUEPFTVNBFOK-QMMMGPOBSA-N 1 2 309.001 3.327 10 10 DGCELO COc1ccc([N@H+](CC[C@@H]2CCOC2=O)[C@H](C)C2CC2)cc1 ZINC000120533919 431729938 /nfs/dbraw/zinc/72/99/38/431729938.db2.gz YUFFJVDRCMWMIP-UKRRQHHQSA-N 1 2 303.402 3.253 10 10 DGCELO COc1ccc([N@@H+](CC[C@@H]2CCOC2=O)[C@H](C)C2CC2)cc1 ZINC000120533919 431729941 /nfs/dbraw/zinc/72/99/41/431729941.db2.gz YUFFJVDRCMWMIP-UKRRQHHQSA-N 1 2 303.402 3.253 10 10 DGCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1O ZINC000175673233 432457314 /nfs/dbraw/zinc/45/73/14/432457314.db2.gz JEHINFUEVZOEOD-INIZCTEOSA-N 1 2 317.364 3.184 10 10 DGCELO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1O ZINC000175673233 432457318 /nfs/dbraw/zinc/45/73/18/432457318.db2.gz JEHINFUEVZOEOD-INIZCTEOSA-N 1 2 317.364 3.184 10 10 DGCELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(F)c(F)c1O ZINC000187738920 337269733 /nfs/dbraw/zinc/26/97/33/337269733.db2.gz PNVROBRFAKPNIE-ZJUUUORDSA-N 1 2 322.359 3.010 10 10 DGCELO CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000309900544 656125347 /nfs/dbraw/zinc/12/53/47/656125347.db2.gz HLJIZCHEVKWTRN-WDEREUQCSA-N 1 2 302.237 3.138 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)c1O ZINC000385018929 1177151121 /nfs/dbraw/zinc/15/11/21/1177151121.db2.gz UWBBFLJZHXRONP-LSDHHAIUSA-N 1 2 323.820 3.105 10 10 DGCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC(C)(C)[C@H]3COC[C@H]32)c1O ZINC000385018929 1177151127 /nfs/dbraw/zinc/15/11/27/1177151127.db2.gz UWBBFLJZHXRONP-LSDHHAIUSA-N 1 2 323.820 3.105 10 10 DGCELO Oc1c(F)cc(Br)cc1C[NH2+]C/C=C/C1CC1 ZINC000715805503 1091009607 /nfs/dbraw/zinc/00/96/07/1091009607.db2.gz XGDCXGCWWILYPS-OWOJBTEDSA-N 1 2 300.171 3.350 10 10 DGCELO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000179987213 432075260 /nfs/dbraw/zinc/07/52/60/432075260.db2.gz BMSKWFKKLNPEHG-CYBMUJFWSA-N 1 2 317.820 3.375 10 10 DGCELO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000179987213 432075262 /nfs/dbraw/zinc/07/52/62/432075262.db2.gz BMSKWFKKLNPEHG-CYBMUJFWSA-N 1 2 317.820 3.375 10 10 DGCELO OCCC1([NH2+]Cc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000285650943 131190107 /nfs/dbraw/zinc/19/01/07/131190107.db2.gz YJUVIZUHSYEZAR-UHFFFAOYSA-N 1 2 304.217 3.484 10 10 DGCELO CC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000032069237 400359016 /nfs/dbraw/zinc/35/90/16/400359016.db2.gz ZIHPNQIAAAJKDV-UHFFFAOYSA-N 1 2 309.001 3.027 10 10 DGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000230314931 432726820 /nfs/dbraw/zinc/72/68/20/432726820.db2.gz OXYKFUXTDMGHRP-GXTWGEPZSA-N 1 2 302.201 3.356 10 10 DGCELO CCc1nnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)s1 ZINC000289979043 432980725 /nfs/dbraw/zinc/98/07/25/432980725.db2.gz ZOPWKBYXBAKUDM-UHFFFAOYSA-N 1 2 318.229 3.403 10 10 DGCELO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1nnc2n1CCCC2 ZINC000187738955 337269702 /nfs/dbraw/zinc/26/97/02/337269702.db2.gz PNVROBRFAKPNIE-NXEZZACHSA-N 1 2 322.359 3.010 10 10 DGCELO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185683954 528332339 /nfs/dbraw/zinc/33/23/39/528332339.db2.gz JAYPRKSLQLJLFR-BXUZGUMPSA-N 1 2 318.396 3.432 10 10 DGCELO C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000702613569 660732871 /nfs/dbraw/zinc/73/28/71/660732871.db2.gz YNRNHQXLGOEUCL-GASCZTMLSA-N 1 2 315.244 3.130 10 10 DGCELO C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000702613569 660732872 /nfs/dbraw/zinc/73/28/72/660732872.db2.gz YNRNHQXLGOEUCL-GASCZTMLSA-N 1 2 315.244 3.130 10 10 DGCELO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC000702613569 660732873 /nfs/dbraw/zinc/73/28/73/660732873.db2.gz YNRNHQXLGOEUCL-GASCZTMLSA-N 1 2 315.244 3.130 10 10 DGCELO Oc1c(Cl)cccc1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000194998240 656207340 /nfs/dbraw/zinc/20/73/40/656207340.db2.gz IAQJNMWZHMUYMN-UHFFFAOYSA-N 1 2 311.809 3.069 10 10 DGCELO C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C1CC1 ZINC000715746561 1090946476 /nfs/dbraw/zinc/94/64/76/1090946476.db2.gz REGKAQSIVMRGKD-QMMMGPOBSA-N 1 2 302.187 3.430 10 10 DGCELO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc(Cl)c1O ZINC000224795569 432685595 /nfs/dbraw/zinc/68/55/95/432685595.db2.gz LHCVTSAFHMILBV-UHFFFAOYSA-N 1 2 314.813 3.050 10 10 DGCELO CN(C)C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000158083902 521829958 /nfs/dbraw/zinc/82/99/58/521829958.db2.gz TXWHPACFTMNELJ-MRXNPFEDSA-N 1 2 304.821 3.438 10 10 DGCELO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2noc(C(C)C)n2)c1 ZINC000179967777 524741403 /nfs/dbraw/zinc/74/14/03/524741403.db2.gz MSLNXAPINKDXSS-AWEZNQCLSA-N 1 2 317.389 3.244 10 10 DGCELO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2noc(C(C)C)n2)c1 ZINC000179967777 524741414 /nfs/dbraw/zinc/74/14/14/524741414.db2.gz MSLNXAPINKDXSS-AWEZNQCLSA-N 1 2 317.389 3.244 10 10 DGCELO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000180008057 526327599 /nfs/dbraw/zinc/32/75/99/526327599.db2.gz BWCWCJRZFVQLMZ-LBPRGKRZSA-N 1 2 310.806 3.076 10 10 DGCELO Oc1c(Cl)cccc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000180008057 526327601 /nfs/dbraw/zinc/32/76/01/526327601.db2.gz BWCWCJRZFVQLMZ-LBPRGKRZSA-N 1 2 310.806 3.076 10 10 DGCELO Oc1c(Br)cccc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704816332 660820637 /nfs/dbraw/zinc/82/06/37/660820637.db2.gz UXXHDMOZBFVCKD-SNVBAGLBSA-N 1 2 316.264 3.388 10 10 DGCELO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708100164 660918055 /nfs/dbraw/zinc/91/80/55/660918055.db2.gz SLYDGESXEBDBPZ-SSDOTTSWSA-N 1 2 322.630 3.057 10 10 DGCELO CC(C)(C)OCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715759513 661214430 /nfs/dbraw/zinc/21/44/30/661214430.db2.gz OBNLCCVMHCCMOI-UHFFFAOYSA-N 1 2 320.202 3.199 10 10 DGCELO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722402963 656716788 /nfs/dbraw/zinc/71/67/88/656716788.db2.gz BEDZYTSKWWQFQT-MWLCHTKSSA-N 1 2 309.715 3.245 10 10 DGCELO Cc1csc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)n1 ZINC000092789994 431912465 /nfs/dbraw/zinc/91/24/65/431912465.db2.gz XPKVLRRCXFJXQJ-AWEZNQCLSA-N 1 2 324.833 3.384 10 10 DGCELO Cc1csc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)n1 ZINC000092789994 431912468 /nfs/dbraw/zinc/91/24/68/431912468.db2.gz XPKVLRRCXFJXQJ-AWEZNQCLSA-N 1 2 324.833 3.384 10 10 DGCELO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1O ZINC000249106591 432339794 /nfs/dbraw/zinc/33/97/94/432339794.db2.gz QPBFPMJBRLWMGG-LLAGZRPASA-N 1 2 309.356 3.279 10 10 DGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249464265 432349148 /nfs/dbraw/zinc/34/91/48/432349148.db2.gz GGGNWXUOEOIBQP-CYZMBNFOSA-N 1 2 302.201 3.356 10 10 DGCELO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000179967791 524740615 /nfs/dbraw/zinc/74/06/15/524740615.db2.gz MSLNXAPINKDXSS-CQSZACIVSA-N 1 2 317.389 3.244 10 10 DGCELO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000179967791 524740627 /nfs/dbraw/zinc/74/06/27/524740627.db2.gz MSLNXAPINKDXSS-CQSZACIVSA-N 1 2 317.389 3.244 10 10 DGCELO COCC1(C[NH2+]Cc2cccc(Br)c2O)CCC1 ZINC000310999087 658432854 /nfs/dbraw/zinc/43/28/54/658432854.db2.gz UWTZGUKJPFOACM-UHFFFAOYSA-N 1 2 314.223 3.061 10 10 DGCELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(Br)c2O)o1 ZINC000227556191 659157663 /nfs/dbraw/zinc/15/76/63/659157663.db2.gz MFEZOICRDHJGTG-SECBINFHSA-N 1 2 311.179 3.302 10 10 DGCELO