smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)n(C)n1 ZINC000019522156 202010273 /nfs/dbraw/zinc/01/02/73/202010273.db2.gz LKBUNJJIORNOBL-INIZCTEOSA-N 1 2 341.390 2.375 40 0 EEABLO COc1ccc(C[N@@H+]2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)cc1 ZINC000019555668 202011269 /nfs/dbraw/zinc/01/12/69/202011269.db2.gz IJPNVUGNCOHGBS-UHFFFAOYSA-N 1 2 349.394 2.206 40 0 EEABLO COc1ccc(C[N@H+]2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)cc1 ZINC000019555668 202011273 /nfs/dbraw/zinc/01/12/73/202011273.db2.gz IJPNVUGNCOHGBS-UHFFFAOYSA-N 1 2 349.394 2.206 40 0 EEABLO Cc1noc(C)c1[C@@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000073038304 202368079 /nfs/dbraw/zinc/36/80/79/202368079.db2.gz DQXXSCMSVYGFRE-LLVKDONJSA-N 1 2 331.420 2.427 40 0 EEABLO CCc1nsc(N2CCC[N@H+](CC(=O)c3cc(C)[nH]c3C)CC2)n1 ZINC000072905860 202369216 /nfs/dbraw/zinc/36/92/16/202369216.db2.gz KAKQMFHTTBQSEW-UHFFFAOYSA-N 1 2 347.488 2.440 40 0 EEABLO CCc1nsc(N2CCC[N@@H+](CC(=O)c3cc(C)[nH]c3C)CC2)n1 ZINC000072905860 202369221 /nfs/dbraw/zinc/36/92/21/202369221.db2.gz KAKQMFHTTBQSEW-UHFFFAOYSA-N 1 2 347.488 2.440 40 0 EEABLO O=C(C[N@H+](Cc1ccnc(Cl)c1)C[C@H]1CCCO1)N1CCCC1 ZINC000076047680 202385571 /nfs/dbraw/zinc/38/55/71/202385571.db2.gz SJQVBPORPAHDPM-OAHLLOKOSA-N 1 2 337.851 2.338 40 0 EEABLO O=C(C[N@@H+](Cc1ccnc(Cl)c1)C[C@H]1CCCO1)N1CCCC1 ZINC000076047680 202385575 /nfs/dbraw/zinc/38/55/75/202385575.db2.gz SJQVBPORPAHDPM-OAHLLOKOSA-N 1 2 337.851 2.338 40 0 EEABLO C[C@]1(C(=O)N2C[C@H](C[NH+]3CCOCC3)c3ccccc32)CCCO1 ZINC000019461225 291359112 /nfs/dbraw/zinc/35/91/12/291359112.db2.gz RJRVSTKNYNCLAU-HNAYVOBHSA-N 1 2 330.428 2.018 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)Cn3nc(C)cc3C)CC[N@@H+]2C)cc1 ZINC000257202164 244121890 /nfs/dbraw/zinc/12/18/90/244121890.db2.gz AKSWZXDIPDHRTJ-SFHVURJKSA-N 1 2 342.443 2.024 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)Cn3nc(C)cc3C)CC[N@H+]2C)cc1 ZINC000257202164 244121897 /nfs/dbraw/zinc/12/18/97/244121897.db2.gz AKSWZXDIPDHRTJ-SFHVURJKSA-N 1 2 342.443 2.024 40 0 EEABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(c3cnccn3)CC2)n1C ZINC000257231895 244216462 /nfs/dbraw/zinc/21/64/62/244216462.db2.gz GIQBCJDQOLFYLH-UHFFFAOYSA-N 1 2 349.442 2.435 40 0 EEABLO CNc1cc([C@H]2CCCN2C(=O)CN2CCCCCC2=O)cc[nH+]1 ZINC000257224463 244194105 /nfs/dbraw/zinc/19/41/05/244194105.db2.gz FBYHOSIBGYCPQQ-OAHLLOKOSA-N 1 2 330.432 2.189 40 0 EEABLO Cc1ncsc1C(=O)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378609 203211022 /nfs/dbraw/zinc/21/10/22/203211022.db2.gz OEKWWNRUFYAPNL-ZDUSSCGKSA-N 1 2 340.412 2.405 40 0 EEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](c2ccncc2)C1 ZINC000257249833 244265280 /nfs/dbraw/zinc/26/52/80/244265280.db2.gz JJYGTOJWRWAMTH-SFHVURJKSA-N 1 2 336.395 2.340 40 0 EEABLO COc1ccc(OCc2n[nH]c([C@H]([NH3+])c3cccc(OC)c3)n2)cc1 ZINC000095533548 463106785 /nfs/dbraw/zinc/10/67/85/463106785.db2.gz BYJLYRZBVVPDKE-QGZVFWFLSA-N 1 2 340.383 2.449 40 0 EEABLO CCCn1nnnc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000078776804 463148511 /nfs/dbraw/zinc/14/85/11/463148511.db2.gz UIOYZYMFCZQVJX-CYBMUJFWSA-N 1 2 325.420 2.339 40 0 EEABLO CCCn1nnnc1C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000078776804 463148512 /nfs/dbraw/zinc/14/85/12/463148512.db2.gz UIOYZYMFCZQVJX-CYBMUJFWSA-N 1 2 325.420 2.339 40 0 EEABLO Cc1cccn2cc(CNC(=O)CCS(=O)(=O)C3CCCC3)[nH+]c12 ZINC000078777138 463149046 /nfs/dbraw/zinc/14/90/46/463149046.db2.gz GUCKHVCAKMDCMO-UHFFFAOYSA-N 1 2 349.456 2.006 40 0 EEABLO Cc1cc(C[N@@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)no1 ZINC000096187161 463199478 /nfs/dbraw/zinc/19/94/78/463199478.db2.gz UTVDYHOKJJDUIJ-SQNIBIBYSA-N 1 2 329.400 2.327 40 0 EEABLO Cc1cc(C[N@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)no1 ZINC000096187161 463199481 /nfs/dbraw/zinc/19/94/81/463199481.db2.gz UTVDYHOKJJDUIJ-SQNIBIBYSA-N 1 2 329.400 2.327 40 0 EEABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Cc3noc4ccccc43)CC2)S1 ZINC000096426963 463255733 /nfs/dbraw/zinc/25/57/33/463255733.db2.gz MBQZOLDBUZXBND-GFCCVEGCSA-N 1 2 344.440 2.006 40 0 EEABLO COC(=O)c1[nH]c(C)cc1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000096495977 463289159 /nfs/dbraw/zinc/28/91/59/463289159.db2.gz HESSAMKVHZVGNS-UHFFFAOYSA-N 1 2 347.337 2.323 40 0 EEABLO CCOCC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000097238633 463353793 /nfs/dbraw/zinc/35/37/93/463353793.db2.gz SVYCADLAXMLTRI-CJNGLKHVSA-N 1 2 330.350 2.392 40 0 EEABLO CCOCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000097238633 463353796 /nfs/dbraw/zinc/35/37/96/463353796.db2.gz SVYCADLAXMLTRI-CJNGLKHVSA-N 1 2 330.350 2.392 40 0 EEABLO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084496635 463607014 /nfs/dbraw/zinc/60/70/14/463607014.db2.gz ZHVOVMMMASOBTD-ZDUSSCGKSA-N 1 2 343.254 2.335 40 0 EEABLO O=C1CCCN1C[C@@H](O)C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084496635 463607019 /nfs/dbraw/zinc/60/70/19/463607019.db2.gz ZHVOVMMMASOBTD-ZDUSSCGKSA-N 1 2 343.254 2.335 40 0 EEABLO Nc1cc(CC[C@H]2C[N@H+](Cc3ccccc3C(=O)[O-])CCO2)cc[nH+]1 ZINC000257281556 463760267 /nfs/dbraw/zinc/76/02/67/463760267.db2.gz OPUBIHDMFLHEJX-INIZCTEOSA-N 1 2 341.411 2.196 40 0 EEABLO Nc1cc(CC[C@H]2C[N@@H+](Cc3ccccc3C(=O)[O-])CCO2)cc[nH+]1 ZINC000257281556 463760272 /nfs/dbraw/zinc/76/02/72/463760272.db2.gz OPUBIHDMFLHEJX-INIZCTEOSA-N 1 2 341.411 2.196 40 0 EEABLO COc1ccc2[nH]cc(C(=O)N3CCOC[C@H]3c3[nH]cc(C)[nH+]3)c2c1 ZINC000257302754 463769275 /nfs/dbraw/zinc/76/92/75/463769275.db2.gz SEFDKXQYXZDLRU-INIZCTEOSA-N 1 2 340.383 2.422 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)Cn2cc(Cl)cn2)CC[N@@H+]1C ZINC000257318534 463776673 /nfs/dbraw/zinc/77/66/73/463776673.db2.gz VOHSCYYJLBKWIE-OAHLLOKOSA-N 1 2 348.834 2.060 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)Cn2cc(Cl)cn2)CC[N@H+]1C ZINC000257318534 463776676 /nfs/dbraw/zinc/77/66/76/463776676.db2.gz VOHSCYYJLBKWIE-OAHLLOKOSA-N 1 2 348.834 2.060 40 0 EEABLO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257332394 463780894 /nfs/dbraw/zinc/78/08/94/463780894.db2.gz XXDADMNUVSFFEE-MRXNPFEDSA-N 1 2 345.468 2.486 40 0 EEABLO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257332394 463780899 /nfs/dbraw/zinc/78/08/99/463780899.db2.gz XXDADMNUVSFFEE-MRXNPFEDSA-N 1 2 345.468 2.486 40 0 EEABLO O=C(O[C@@H]([C@@H]1CCOC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)nc1 ZINC000195576435 464080526 /nfs/dbraw/zinc/08/05/26/464080526.db2.gz KGCJOTOBVZXVFZ-YPMHNXCESA-N 1 2 341.289 2.392 40 0 EEABLO COc1ccccc1O[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000286574906 464965181 /nfs/dbraw/zinc/96/51/81/464965181.db2.gz QQISPTBFJAYJMO-CYBMUJFWSA-N 1 2 339.399 2.420 40 0 EEABLO CC[C@@H](C(=O)N1CCCC[C@H]1c1ncc[nH]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000252493730 464968110 /nfs/dbraw/zinc/96/81/10/464968110.db2.gz NFLMZBXGTURPAT-PMPSAXMXSA-N 1 2 334.464 2.353 40 0 EEABLO CC[C@@H](C(=O)N1CCCC[C@H]1c1ncc[nH]1)[N@H+]1CCO[C@H](CC)C1 ZINC000252493730 464968118 /nfs/dbraw/zinc/96/81/18/464968118.db2.gz NFLMZBXGTURPAT-PMPSAXMXSA-N 1 2 334.464 2.353 40 0 EEABLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NC(N)=O)ccc1Br ZINC000253432359 465014311 /nfs/dbraw/zinc/01/43/11/465014311.db2.gz JVOHDPYLBWHTDT-LBPRGKRZSA-N 1 2 340.221 2.089 40 0 EEABLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NC(N)=O)ccc1Br ZINC000253432359 465014315 /nfs/dbraw/zinc/01/43/15/465014315.db2.gz JVOHDPYLBWHTDT-LBPRGKRZSA-N 1 2 340.221 2.089 40 0 EEABLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ncccc2Cl)C1)C1CC1 ZINC000528501348 467689947 /nfs/dbraw/zinc/68/99/47/467689947.db2.gz FLKLHMLOMPQRKE-GFCCVEGCSA-N 1 2 343.880 2.029 40 0 EEABLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ncccc2Cl)C1)C1CC1 ZINC000528501348 467689949 /nfs/dbraw/zinc/68/99/49/467689949.db2.gz FLKLHMLOMPQRKE-GFCCVEGCSA-N 1 2 343.880 2.029 40 0 EEABLO CCCn1cc(C[N@@H+]2CCO[C@](CO)(Cc3ccccc3F)C2)cn1 ZINC000585277561 469002219 /nfs/dbraw/zinc/00/22/19/469002219.db2.gz NCAANTSEFQGHES-LJQANCHMSA-N 1 2 347.434 2.238 40 0 EEABLO CCCn1cc(C[N@H+]2CCO[C@](CO)(Cc3ccccc3F)C2)cn1 ZINC000585277561 469002224 /nfs/dbraw/zinc/00/22/24/469002224.db2.gz NCAANTSEFQGHES-LJQANCHMSA-N 1 2 347.434 2.238 40 0 EEABLO Cc1ccccc1OCn1ccc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000027972212 212590963 /nfs/dbraw/zinc/59/09/63/212590963.db2.gz CYWSXSZIYRGDLI-UHFFFAOYSA-N 1 2 339.399 2.245 40 0 EEABLO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257207613 244138859 /nfs/dbraw/zinc/13/88/59/244138859.db2.gz BIMOAOVCBDWVQQ-GOSISDBHSA-N 1 2 340.431 2.101 40 0 EEABLO O=C(c1cccnc1)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350601 203205273 /nfs/dbraw/zinc/20/52/73/203205273.db2.gz AGYMWFLAJDTTAM-HNNXBMFYSA-N 1 2 334.383 2.077 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)Cn2nc(C)cc2C)CC[N@@H+]1C ZINC000257241176 244244883 /nfs/dbraw/zinc/24/48/83/244244883.db2.gz HWXQOCMZTYRYMF-QGZVFWFLSA-N 1 2 342.443 2.024 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)Cn2nc(C)cc2C)CC[N@H+]1C ZINC000257241176 244244887 /nfs/dbraw/zinc/24/48/87/244244887.db2.gz HWXQOCMZTYRYMF-QGZVFWFLSA-N 1 2 342.443 2.024 40 0 EEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3c(C)nc4ccccc43)C2)[nH+]1 ZINC000257257929 244287373 /nfs/dbraw/zinc/28/73/73/244287373.db2.gz KRRMILCVURAKHM-OAHLLOKOSA-N 1 2 337.427 2.403 40 0 EEABLO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000072576957 203237487 /nfs/dbraw/zinc/23/74/87/203237487.db2.gz BKTGAQOHBAZYIG-UHFFFAOYSA-N 1 2 337.470 2.301 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)[nH+]1 ZINC000257274682 244388320 /nfs/dbraw/zinc/38/83/20/244388320.db2.gz NMBYLOIRDBBNPO-INIZCTEOSA-N 1 2 333.457 2.469 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)[nH+]1 ZINC000257274711 244389875 /nfs/dbraw/zinc/38/98/75/244389875.db2.gz NMIDAVJRCFZIMA-AWEZNQCLSA-N 1 2 327.384 2.477 40 0 EEABLO C[N@H+](CCOC[C@@H]1CCCO1)CC(=O)Nc1ccccc1Cl ZINC000095400854 218335833 /nfs/dbraw/zinc/33/58/33/218335833.db2.gz VDPGWTCXFBHOLG-ZDUSSCGKSA-N 1 2 326.824 2.406 40 0 EEABLO C[N@@H+](CCOC[C@@H]1CCCO1)CC(=O)Nc1ccccc1Cl ZINC000095400854 218335835 /nfs/dbraw/zinc/33/58/35/218335835.db2.gz VDPGWTCXFBHOLG-ZDUSSCGKSA-N 1 2 326.824 2.406 40 0 EEABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000175471691 207130263 /nfs/dbraw/zinc/13/02/63/207130263.db2.gz HWNMISPLVIICGS-UHFFFAOYSA-N 1 2 344.463 2.362 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000096456007 218841486 /nfs/dbraw/zinc/84/14/86/218841486.db2.gz YDZUPCXSQVVWJM-HNNXBMFYSA-N 1 2 346.818 2.238 40 0 EEABLO COC[C@H]1CN(C(=O)c2ccccn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045087 285460859 /nfs/dbraw/zinc/46/08/59/285460859.db2.gz CJXUEHVUXCMMQS-CQSZACIVSA-N 1 2 326.400 2.074 40 0 EEABLO C[C@@H](c1ccccn1)N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000328927129 311633105 /nfs/dbraw/zinc/63/31/05/311633105.db2.gz WWQRJYWLAVXAIN-HNNXBMFYSA-N 1 2 341.459 2.247 40 0 EEABLO CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CCC1 ZINC000074174893 462565536 /nfs/dbraw/zinc/56/55/36/462565536.db2.gz FGDVVHGJSRGLSF-KRWDZBQOSA-N 1 2 331.460 2.124 40 0 EEABLO Cn1c2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2nc1C(C)(C)C ZINC000089989826 462761667 /nfs/dbraw/zinc/76/16/67/462761667.db2.gz RKNXJOKSQAMWTQ-HNNXBMFYSA-N 1 2 330.432 2.140 40 0 EEABLO Cn1c2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2nc1C(C)(C)C ZINC000089989826 462761670 /nfs/dbraw/zinc/76/16/70/462761670.db2.gz RKNXJOKSQAMWTQ-HNNXBMFYSA-N 1 2 330.432 2.140 40 0 EEABLO Cc1cc(N2CCN(C(=O)[C@@]3(C)CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000019117542 463014734 /nfs/dbraw/zinc/01/47/34/463014734.db2.gz TZTCXEBMMOSKGA-GOSISDBHSA-N 1 2 332.448 2.126 40 0 EEABLO COC[C@@H]1CN(C(=O)c2ccncc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045074 463149440 /nfs/dbraw/zinc/14/94/40/463149440.db2.gz QMFCWKIGJFEHJE-HNNXBMFYSA-N 1 2 326.400 2.074 40 0 EEABLO CCOC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 ZINC000096060475 463160479 /nfs/dbraw/zinc/16/04/79/463160479.db2.gz HEYGHOZINVIHHQ-MRXNPFEDSA-N 1 2 329.448 2.163 40 0 EEABLO CCOC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 ZINC000096060475 463160485 /nfs/dbraw/zinc/16/04/85/463160485.db2.gz HEYGHOZINVIHHQ-MRXNPFEDSA-N 1 2 329.448 2.163 40 0 EEABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1cccs1 ZINC000096062068 463161146 /nfs/dbraw/zinc/16/11/46/463161146.db2.gz PNCIUEGLYAKSET-GFCCVEGCSA-N 1 2 327.413 2.406 40 0 EEABLO O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000078979435 463174428 /nfs/dbraw/zinc/17/44/28/463174428.db2.gz WWJTYQODIPAGBR-OAHLLOKOSA-N 1 2 340.362 2.497 40 0 EEABLO CC(C)NC(=O)N1Cc2[nH+]ccn2C[C@H](COCc2cccnc2)C1 ZINC000096188093 463199956 /nfs/dbraw/zinc/19/99/56/463199956.db2.gz ONJLPFJFHHMBIR-INIZCTEOSA-N 1 2 343.431 2.045 40 0 EEABLO Cn1cccc1C(=O)N1CCC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096222958 463219712 /nfs/dbraw/zinc/21/97/12/463219712.db2.gz XKVRTNGKASVECV-HNAYVOBHSA-N 1 2 340.427 2.296 40 0 EEABLO Cn1ccnc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000096446532 463270924 /nfs/dbraw/zinc/27/09/24/463270924.db2.gz SKHCVBCOFDGGTC-INIZCTEOSA-N 1 2 330.407 2.230 40 0 EEABLO Cn1ccnc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000096446532 463270926 /nfs/dbraw/zinc/27/09/26/463270926.db2.gz SKHCVBCOFDGGTC-INIZCTEOSA-N 1 2 330.407 2.230 40 0 EEABLO C[C@@H]([NH2+]Cc1nc(CS(C)(=O)=O)no1)c1ccc(F)c(Cl)c1 ZINC000096491159 463287097 /nfs/dbraw/zinc/28/70/97/463287097.db2.gz RYYHYMXMOYMOBJ-MRVPVSSYSA-N 1 2 347.799 2.258 40 0 EEABLO Cc1nc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)s1 ZINC000097096529 463323037 /nfs/dbraw/zinc/32/30/37/463323037.db2.gz VOKPIZITGFYERG-UHFFFAOYSA-N 1 2 345.472 2.182 40 0 EEABLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000097233915 463350973 /nfs/dbraw/zinc/35/09/73/463350973.db2.gz HOKSHLUUKLALIT-SNVBAGLBSA-N 1 2 342.852 2.001 40 0 EEABLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnc2c(-c3ccccc3)cnn21 ZINC000038829585 463448495 /nfs/dbraw/zinc/44/84/95/463448495.db2.gz IEMUXDDYZAVNGD-UHFFFAOYSA-N 1 2 335.411 2.092 40 0 EEABLO CC[C@@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccncc1 ZINC000185010779 463735423 /nfs/dbraw/zinc/73/54/23/463735423.db2.gz KUWILBPFGSATIB-MRXNPFEDSA-N 1 2 340.431 2.163 40 0 EEABLO Cc1nc(N2CC[C@@H](Cc3cnc(-c4cncn4C)cn3)C2)cc[nH+]1 ZINC000257278551 463757470 /nfs/dbraw/zinc/75/74/70/463757470.db2.gz OCRLJDQQJVWTTQ-AWEZNQCLSA-N 1 2 335.415 2.045 40 0 EEABLO CC(C)Oc1ccc([C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[N@H+]2C)cc1 ZINC000257261855 463758360 /nfs/dbraw/zinc/75/83/60/463758360.db2.gz LJAOYYMRCQURBI-GOSISDBHSA-N 1 2 342.443 2.186 40 0 EEABLO CC(C)Oc1ccc([C@H]2CN(C(=O)Cn3cc[nH+]c3)CCN2C)cc1 ZINC000257261855 463758369 /nfs/dbraw/zinc/75/83/69/463758369.db2.gz LJAOYYMRCQURBI-GOSISDBHSA-N 1 2 342.443 2.186 40 0 EEABLO CN(C(=O)CCc1cccnc1)[C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257309694 463772166 /nfs/dbraw/zinc/77/21/66/463772166.db2.gz UBZZSDFHJBGDSO-ZHALLVOQSA-N 1 2 342.443 2.214 40 0 EEABLO O=C(Cn1cnc2ccccc21)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257307750 463772286 /nfs/dbraw/zinc/77/22/86/463772286.db2.gz TTXWGHVDTZLVQT-OAHLLOKOSA-N 1 2 335.411 2.217 40 0 EEABLO CCn1nc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3OC)C2)cc1C ZINC000257319241 463776078 /nfs/dbraw/zinc/77/60/78/463776078.db2.gz VRLVJTCRWJJMHM-QGZVFWFLSA-N 1 2 342.443 2.349 40 0 EEABLO CCn1nc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3OC)C2)cc1C ZINC000257319241 463776084 /nfs/dbraw/zinc/77/60/84/463776084.db2.gz VRLVJTCRWJJMHM-QGZVFWFLSA-N 1 2 342.443 2.349 40 0 EEABLO CNc1cc([C@H]2CCCN2C(=O)CCc2cc(OC)no2)cc[nH+]1 ZINC000257338806 463784194 /nfs/dbraw/zinc/78/41/94/463784194.db2.gz YZAQIZYOJNITOU-CQSZACIVSA-N 1 2 330.388 2.416 40 0 EEABLO CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000194321448 463836191 /nfs/dbraw/zinc/83/61/91/463836191.db2.gz HYYVFDKHEFLDGR-SFHVURJKSA-N 1 2 329.400 2.386 40 0 EEABLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2cscn2)CC1 ZINC000186606964 464030760 /nfs/dbraw/zinc/03/07/60/464030760.db2.gz JBVKUDGWQTUNJI-UHFFFAOYSA-N 1 2 344.440 2.060 40 0 EEABLO C[C@](O)(CNC(=O)C1CC[NH+](CC(F)F)CC1)c1cccs1 ZINC000225560834 464172404 /nfs/dbraw/zinc/17/24/04/464172404.db2.gz HHYPAPGGUPBDDW-HNNXBMFYSA-N 1 2 332.416 2.049 40 0 EEABLO COCc1cccc(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000188801994 464372673 /nfs/dbraw/zinc/37/26/73/464372673.db2.gz VDJSRQNYWILFKQ-QGZVFWFLSA-N 1 2 325.412 2.166 40 0 EEABLO O=C1CCCCN1C[C@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1 ZINC000248005489 464723000 /nfs/dbraw/zinc/72/30/00/464723000.db2.gz SPXNRGAITCXBET-MRXNPFEDSA-N 1 2 329.444 2.075 40 0 EEABLO Cn1cncc1C[N@@H+]1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC000248036689 464725480 /nfs/dbraw/zinc/72/54/80/464725480.db2.gz MXKPMVVSWDMMLY-JLJPHGGASA-N 1 2 348.472 2.073 40 0 EEABLO Cn1cncc1C[N@H+]1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC000248036689 464725485 /nfs/dbraw/zinc/72/54/85/464725485.db2.gz MXKPMVVSWDMMLY-JLJPHGGASA-N 1 2 348.472 2.073 40 0 EEABLO Cn1c[nH+]cc1CN1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC000248036689 464725488 /nfs/dbraw/zinc/72/54/88/464725488.db2.gz MXKPMVVSWDMMLY-JLJPHGGASA-N 1 2 348.472 2.073 40 0 EEABLO c1nnc([C@@H]([NH2+]CC2CCC3(CC2)OCCO3)c2ccccc2)[nH]1 ZINC000253427023 465011302 /nfs/dbraw/zinc/01/13/02/465011302.db2.gz VFKCAIWVWLDCHI-INIZCTEOSA-N 1 2 328.416 2.417 40 0 EEABLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[S@](=O)C1 ZINC000253429426 465012599 /nfs/dbraw/zinc/01/25/99/465012599.db2.gz SDDMRPXJKDPFBO-IPQOISQHSA-N 1 2 338.864 2.121 40 0 EEABLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[S@](=O)C1 ZINC000253429426 465012604 /nfs/dbraw/zinc/01/26/04/465012604.db2.gz SDDMRPXJKDPFBO-IPQOISQHSA-N 1 2 338.864 2.121 40 0 EEABLO Cc1cccc(COC[C@H]2CN(c3ncccn3)Cc3c[nH+]cn32)n1 ZINC000306123421 466486250 /nfs/dbraw/zinc/48/62/50/466486250.db2.gz AMPWSSGGCWWRKH-QGZVFWFLSA-N 1 2 336.399 2.155 40 0 EEABLO CCc1ccccc1NC(=O)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000390828533 467412480 /nfs/dbraw/zinc/41/24/80/467412480.db2.gz RSYJYGFAHXTMEM-UHFFFAOYSA-N 1 2 348.410 2.300 40 0 EEABLO CO[C@H]1CC[N@H+](CC(=O)Nc2cc(F)ccc2C)C[C@]12CCCO2 ZINC000585266365 468996117 /nfs/dbraw/zinc/99/61/17/468996117.db2.gz SWAVHZQTCAJZEG-FUHWJXTLSA-N 1 2 336.407 2.343 40 0 EEABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc(F)ccc2C)C[C@]12CCCO2 ZINC000585266365 468996120 /nfs/dbraw/zinc/99/61/20/468996120.db2.gz SWAVHZQTCAJZEG-FUHWJXTLSA-N 1 2 336.407 2.343 40 0 EEABLO CO[C@]1(COc2ccccc2)COCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000585277797 469003520 /nfs/dbraw/zinc/00/35/20/469003520.db2.gz XZSIJUAGOHJSOB-SFHVURJKSA-N 1 2 331.416 2.015 40 0 EEABLO CO[C@]1(COc2ccccc2)COCC[N@@H+](Cc2[nH]cnc2C)C1 ZINC000585277797 469003528 /nfs/dbraw/zinc/00/35/28/469003528.db2.gz XZSIJUAGOHJSOB-SFHVURJKSA-N 1 2 331.416 2.015 40 0 EEABLO CO[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585277807 469003789 /nfs/dbraw/zinc/00/37/89/469003789.db2.gz POQDOYLNFPTJEG-SFHVURJKSA-N 1 2 347.390 2.178 40 0 EEABLO Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2CO1)C1CC1 ZINC000685939072 539988807 /nfs/dbraw/zinc/98/88/07/539988807.db2.gz KXHKRWPTQMXVMO-IRXDYDNUSA-N 1 2 340.427 2.312 40 0 EEABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000019500347 202008395 /nfs/dbraw/zinc/00/83/95/202008395.db2.gz NAFBMLISHYDOIJ-HNNXBMFYSA-N 1 2 347.434 2.385 40 0 EEABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000036741459 202330327 /nfs/dbraw/zinc/33/03/27/202330327.db2.gz FOJWXTUOXVYOTB-LJQANCHMSA-N 1 2 330.472 2.335 40 0 EEABLO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCCS(C)(=O)=O)CC1 ZINC000075863306 202380045 /nfs/dbraw/zinc/38/00/45/202380045.db2.gz MUKMRZNKVFDBLS-AWEZNQCLSA-N 1 2 344.908 2.453 40 0 EEABLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCC(=O)NC(C)(C)C)c1 ZINC000077445930 202393694 /nfs/dbraw/zinc/39/36/94/202393694.db2.gz DWCSGHVSNSQIEG-UHFFFAOYSA-N 1 2 329.404 2.123 40 0 EEABLO CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000078113716 202394618 /nfs/dbraw/zinc/39/46/18/202394618.db2.gz CIUFEWKGOSAUSE-SFHVURJKSA-N 1 2 325.412 2.336 40 0 EEABLO CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000078113716 202394625 /nfs/dbraw/zinc/39/46/25/202394625.db2.gz CIUFEWKGOSAUSE-SFHVURJKSA-N 1 2 325.412 2.336 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)[nH]c2=O)CC[N@@H+]1C ZINC000257201458 244119928 /nfs/dbraw/zinc/11/99/28/244119928.db2.gz AHUOHYYETTVNLQ-MRXNPFEDSA-N 1 2 341.411 2.233 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)[nH]c2=O)CC[N@H+]1C ZINC000257201458 244119935 /nfs/dbraw/zinc/11/99/35/244119935.db2.gz AHUOHYYETTVNLQ-MRXNPFEDSA-N 1 2 341.411 2.233 40 0 EEABLO CCc1noc(CCC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257222692 244190378 /nfs/dbraw/zinc/19/03/78/244190378.db2.gz DUJMUDRXHPPZSE-AWEZNQCLSA-N 1 2 343.431 2.389 40 0 EEABLO CC(=O)NCc1ccnc([C@H]2CCCN2Cc2[nH+]ccn2C(C)C)n1 ZINC000257225815 244199624 /nfs/dbraw/zinc/19/96/24/244199624.db2.gz FHXYLKLKNGFFGB-MRXNPFEDSA-N 1 2 342.447 2.227 40 0 EEABLO Cc1cc(C)n2nc(C(=O)N3CC[N@@H+](C)[C@H](c4ccccc4)C3)cc2n1 ZINC000257231999 244216846 /nfs/dbraw/zinc/21/68/46/244216846.db2.gz GIYPIZKAICLWSG-SFHVURJKSA-N 1 2 349.438 2.475 40 0 EEABLO Cc1cc(C)n2nc(C(=O)N3CC[N@H+](C)[C@H](c4ccccc4)C3)cc2n1 ZINC000257231999 244216853 /nfs/dbraw/zinc/21/68/53/244216853.db2.gz GIYPIZKAICLWSG-SFHVURJKSA-N 1 2 349.438 2.475 40 0 EEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)[nH+]1 ZINC000257245335 244255816 /nfs/dbraw/zinc/25/58/16/244255816.db2.gz IPAAVWBAUXWTKU-LBPRGKRZSA-N 1 2 326.356 2.140 40 0 EEABLO COc1ccc(C[N@@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c(F)c1 ZINC000257255544 244282568 /nfs/dbraw/zinc/28/25/68/244282568.db2.gz KHWOMDDPSCKKTL-MRXNPFEDSA-N 1 2 347.390 2.164 40 0 EEABLO COc1ccc(C[N@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c(F)c1 ZINC000257255544 244282570 /nfs/dbraw/zinc/28/25/70/244282570.db2.gz KHWOMDDPSCKKTL-MRXNPFEDSA-N 1 2 347.390 2.164 40 0 EEABLO O=C(c1ccnnc1)N1Cc2c[nH+]cn2[C@@H](COCC2CCCC2)C1 ZINC000247870914 296275733 /nfs/dbraw/zinc/27/57/33/296275733.db2.gz QOPHJSIXTSVEND-QGZVFWFLSA-N 1 2 341.415 2.077 40 0 EEABLO Cc1cc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c(=O)[nH]c1C ZINC000257269677 291760587 /nfs/dbraw/zinc/76/05/87/291760587.db2.gz MQXHSMHHSMAPEZ-CQSZACIVSA-N 1 2 326.400 2.198 40 0 EEABLO O=C(Cc1ccon1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096493007 218871168 /nfs/dbraw/zinc/87/11/68/218871168.db2.gz DHNTWUPUUCHTJJ-UHFFFAOYSA-N 1 2 336.395 2.241 40 0 EEABLO CCS(=O)(=O)c1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000097230178 219000177 /nfs/dbraw/zinc/00/01/77/219000177.db2.gz HCSVPQDFHBCZCR-UHFFFAOYSA-N 1 2 343.408 2.058 40 0 EEABLO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@H](COC)C(=O)OCC ZINC000005574616 462663096 /nfs/dbraw/zinc/66/30/96/462663096.db2.gz KWYHYTRGVRWJPI-MRXNPFEDSA-N 1 2 337.416 2.020 40 0 EEABLO CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@H](COC)C(=O)OCC ZINC000005574616 462663099 /nfs/dbraw/zinc/66/30/99/462663099.db2.gz KWYHYTRGVRWJPI-MRXNPFEDSA-N 1 2 337.416 2.020 40 0 EEABLO CCCCc1nc(Cl)c(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3C2)[nH]1 ZINC000012116268 462843882 /nfs/dbraw/zinc/84/38/82/462843882.db2.gz DICDHVIVAYDQNU-UHFFFAOYSA-N 1 2 335.839 2.356 40 0 EEABLO CCCCc1nc(Cl)c(C[N@H+]2CCc3nc(C)[nH]c(=O)c3C2)[nH]1 ZINC000012116268 462843889 /nfs/dbraw/zinc/84/38/89/462843889.db2.gz DICDHVIVAYDQNU-UHFFFAOYSA-N 1 2 335.839 2.356 40 0 EEABLO CCOC[C@H]1CN(C(=O)COc2ccc(F)cc2)Cc2[nH+]cn(C)c21 ZINC000096044841 463148890 /nfs/dbraw/zinc/14/88/90/463148890.db2.gz IWMJKMNQCKSJJP-CYBMUJFWSA-N 1 2 347.390 2.101 40 0 EEABLO c1csc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048342 463152382 /nfs/dbraw/zinc/15/23/82/463152382.db2.gz IIUIXBJWAOMLND-CZUORRHYSA-N 1 2 331.445 2.169 40 0 EEABLO c1csc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048342 463152386 /nfs/dbraw/zinc/15/23/86/463152386.db2.gz IIUIXBJWAOMLND-CZUORRHYSA-N 1 2 331.445 2.169 40 0 EEABLO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096049121 463153621 /nfs/dbraw/zinc/15/36/21/463153621.db2.gz XCHGFUBCKIEMRN-LJQANCHMSA-N 1 2 341.411 2.182 40 0 EEABLO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096049121 463153622 /nfs/dbraw/zinc/15/36/22/463153622.db2.gz XCHGFUBCKIEMRN-LJQANCHMSA-N 1 2 341.411 2.182 40 0 EEABLO CCn1cc2c(n1)C[N@@H+](Cc1cnn(C)c1)C[C@@H]2COCC1CC1 ZINC000096060422 463159561 /nfs/dbraw/zinc/15/95/61/463159561.db2.gz WIUAJLOMIQFNHS-MRXNPFEDSA-N 1 2 329.448 2.163 40 0 EEABLO CCn1cc2c(n1)C[N@H+](Cc1cnn(C)c1)C[C@@H]2COCC1CC1 ZINC000096060422 463159565 /nfs/dbraw/zinc/15/95/65/463159565.db2.gz WIUAJLOMIQFNHS-MRXNPFEDSA-N 1 2 329.448 2.163 40 0 EEABLO c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)nc1 ZINC000096058016 463159597 /nfs/dbraw/zinc/15/95/97/463159597.db2.gz JYVQQCGECLUEFO-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)nc1 ZINC000096058016 463159601 /nfs/dbraw/zinc/15/96/01/463159601.db2.gz JYVQQCGECLUEFO-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO Cn1cc[nH+]c1CN1C[C@@H](F)[C@@H](OCc2nc3cc(F)ccc3[nH]2)C1 ZINC000096112233 463179281 /nfs/dbraw/zinc/17/92/81/463179281.db2.gz OTWCIWAXZDYGBI-DOMZBBRYSA-N 1 2 347.369 2.175 40 0 biogenic,in-vitro EEABLO c1csc(C[N@H+]2CC[C@]3(C2)COCCN(Cc2ccccn2)C3)n1 ZINC000096202210 463207268 /nfs/dbraw/zinc/20/72/68/463207268.db2.gz KRJFKYKCFOFHBB-GOSISDBHSA-N 1 2 344.484 2.263 40 0 EEABLO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN(Cc2ccccn2)C3)n1 ZINC000096202210 463207272 /nfs/dbraw/zinc/20/72/72/463207272.db2.gz KRJFKYKCFOFHBB-GOSISDBHSA-N 1 2 344.484 2.263 40 0 EEABLO Cc1nc(C[N@@H+]2CCC3(CN(C(=O)c4conc4C)C3)C2)cs1 ZINC000096202539 463208788 /nfs/dbraw/zinc/20/87/88/463208788.db2.gz LFGRDCDYGREOJX-UHFFFAOYSA-N 1 2 332.429 2.096 40 0 EEABLO Cc1nc(C[N@H+]2CCC3(CN(C(=O)c4conc4C)C3)C2)cs1 ZINC000096202539 463208791 /nfs/dbraw/zinc/20/87/91/463208791.db2.gz LFGRDCDYGREOJX-UHFFFAOYSA-N 1 2 332.429 2.096 40 0 EEABLO Cc1cccc(C[N@@H+]2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)n1 ZINC000096226463 463220463 /nfs/dbraw/zinc/22/04/63/463220463.db2.gz NFKGFGPLYSZVQO-IBGZPJMESA-N 1 2 339.443 2.051 40 0 EEABLO Cc1cccc(C[N@H+]2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)n1 ZINC000096226463 463220471 /nfs/dbraw/zinc/22/04/71/463220471.db2.gz NFKGFGPLYSZVQO-IBGZPJMESA-N 1 2 339.443 2.051 40 0 EEABLO Cn1c[nH+]cc1CN1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226275 463220621 /nfs/dbraw/zinc/22/06/21/463220621.db2.gz OSFDVEUFJJYHNF-IBGZPJMESA-N 1 2 344.434 2.431 40 0 EEABLO COc1cccc([C@@H](C)N2CC[NH+](CCc3nnc(N)s3)CC2)c1 ZINC000097373527 463355807 /nfs/dbraw/zinc/35/58/07/463355807.db2.gz ZDWXCJBJTPMUMD-CYBMUJFWSA-N 1 2 347.488 2.050 40 0 EEABLO COc1cccc(Cl)c1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000097378373 463357173 /nfs/dbraw/zinc/35/71/73/463357173.db2.gz AVSASQPIGZHLIA-UHFFFAOYSA-N 1 2 340.851 2.118 40 0 EEABLO c1ccc(N2CC[NH+](Cc3ccnc([C@H]4CCCO4)n3)CC2)nc1 ZINC000257317870 463774396 /nfs/dbraw/zinc/77/43/96/463774396.db2.gz VLNSNBMTMWDEEU-MRXNPFEDSA-N 1 2 325.416 2.045 40 0 EEABLO Cc1ccn(CCC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257328157 463779447 /nfs/dbraw/zinc/77/94/47/463779447.db2.gz XEKQSNHHALRTIS-INIZCTEOSA-N 1 2 327.432 2.104 40 0 EEABLO C[C@@H](N1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1)C(F)(F)F ZINC000178279164 463873908 /nfs/dbraw/zinc/87/39/08/463873908.db2.gz GJHCZVKSZWNANG-UONOGXRCSA-N 1 2 335.414 2.202 40 0 EEABLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000195539861 464073166 /nfs/dbraw/zinc/07/31/66/464073166.db2.gz NOVPDNXEKPHGGR-FZMZJTMJSA-N 1 2 326.322 2.327 40 0 EEABLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000195539861 464073171 /nfs/dbraw/zinc/07/31/71/464073171.db2.gz NOVPDNXEKPHGGR-FZMZJTMJSA-N 1 2 326.322 2.327 40 0 EEABLO C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000225547138 464170627 /nfs/dbraw/zinc/17/06/27/464170627.db2.gz GFZVOUANMSPHAY-GHMZBOCLSA-N 1 2 326.359 2.241 40 0 EEABLO C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000225547138 464170635 /nfs/dbraw/zinc/17/06/35/464170635.db2.gz GFZVOUANMSPHAY-GHMZBOCLSA-N 1 2 326.359 2.241 40 0 EEABLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2nccs2)CC1 ZINC000242164654 464456377 /nfs/dbraw/zinc/45/63/77/464456377.db2.gz WWTNAOAFBZDTRG-ILXRZTDVSA-N 1 2 336.505 2.349 40 0 EEABLO Fc1cccnc1OC[C@@H]1CCOC12C[NH+](Cc1ccncc1)C2 ZINC000247512211 464688026 /nfs/dbraw/zinc/68/80/26/464688026.db2.gz ITWVWHPMEQLCQZ-HNNXBMFYSA-N 1 2 329.375 2.286 40 0 EEABLO CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190769267 464718622 /nfs/dbraw/zinc/71/86/22/464718622.db2.gz VNRAYEFEVGCICP-MRXNPFEDSA-N 1 2 340.427 2.465 40 0 EEABLO C[C@H](C[S@@](C)=O)[N@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000192776533 464994380 /nfs/dbraw/zinc/99/43/80/464994380.db2.gz GPSHNAMNXXLFIK-AVKZDSLQSA-N 1 2 326.437 2.020 40 0 EEABLO C[C@H](C[S@@](C)=O)[N@@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000192776533 464994386 /nfs/dbraw/zinc/99/43/86/464994386.db2.gz GPSHNAMNXXLFIK-AVKZDSLQSA-N 1 2 326.437 2.020 40 0 EEABLO Cc1ccoc1C(=O)N1Cc2c[nH+]cn2[C@H](COc2ccccn2)C1 ZINC000253478098 465016258 /nfs/dbraw/zinc/01/62/58/465016258.db2.gz JDILYWQCQJFJHA-HNNXBMFYSA-N 1 2 338.367 2.456 40 0 EEABLO CC(C)C[C@@]1(CO)CCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000190064848 528433815 /nfs/dbraw/zinc/43/38/15/528433815.db2.gz VEGBAYRLCPVKTB-GOSISDBHSA-N 1 2 334.464 2.230 40 0 EEABLO COCCNC(=O)C[N@@H+]1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000019719777 202016195 /nfs/dbraw/zinc/01/61/95/202016195.db2.gz WOVYUILAZOKKOQ-UHFFFAOYSA-N 1 2 349.431 2.070 40 0 EEABLO COCCNC(=O)C[N@H+]1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000019719777 202016199 /nfs/dbraw/zinc/01/61/99/202016199.db2.gz WOVYUILAZOKKOQ-UHFFFAOYSA-N 1 2 349.431 2.070 40 0 EEABLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000019894196 202025302 /nfs/dbraw/zinc/02/53/02/202025302.db2.gz YWLSTRPCGVCIEH-UHFFFAOYSA-N 1 2 340.449 2.071 40 0 EEABLO CO[C@@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2F)CC[C@@]12CCCO2 ZINC000257253721 244275104 /nfs/dbraw/zinc/27/51/04/244275104.db2.gz JZZVXJLYOWHYGU-AEFFLSMTSA-N 1 2 336.407 2.343 40 0 EEABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2F)CC[C@@]12CCCO2 ZINC000257253721 244275113 /nfs/dbraw/zinc/27/51/13/244275113.db2.gz JZZVXJLYOWHYGU-AEFFLSMTSA-N 1 2 336.407 2.343 40 0 EEABLO CCN(CC)S(=O)(=O)N1CCC[C@@H]1CCc1cc[nH+]c(C)c1 ZINC000257271535 244379561 /nfs/dbraw/zinc/37/95/61/244379561.db2.gz MYSFXRCKIQSZRN-MRXNPFEDSA-N 1 2 325.478 2.374 40 0 EEABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@@H+]2Cc2cnn(C)c2C)cc1 ZINC000257299516 286378639 /nfs/dbraw/zinc/37/86/39/286378639.db2.gz RQKDDDVGSPSSGW-LJQANCHMSA-N 1 2 342.443 2.143 40 0 EEABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@H+]2Cc2cnn(C)c2C)cc1 ZINC000257299516 286378642 /nfs/dbraw/zinc/37/86/42/286378642.db2.gz RQKDDDVGSPSSGW-LJQANCHMSA-N 1 2 342.443 2.143 40 0 EEABLO COC[C@H]1CN(C(=O)c2cccn2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060281 293230747 /nfs/dbraw/zinc/23/07/47/293230747.db2.gz VTRPBXNNSSXHJN-CQSZACIVSA-N 1 2 328.416 2.018 40 0 EEABLO Cc1c[nH+]ccc1NC(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000333465731 312151697 /nfs/dbraw/zinc/15/16/97/312151697.db2.gz ZVQWFSNFAXVOEQ-LJQANCHMSA-N 1 2 337.379 2.454 40 0 EEABLO O=C(NCc1ccccc1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609188 462802245 /nfs/dbraw/zinc/80/22/45/462802245.db2.gz FUNQJWXVXOZCAU-QGZVFWFLSA-N 1 2 349.500 2.036 40 0 EEABLO O=C(c1ccco1)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096066870 463164599 /nfs/dbraw/zinc/16/45/99/463164599.db2.gz VRYXBPBXLWVIID-CQSZACIVSA-N 1 2 338.367 2.222 40 0 EEABLO Cc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccco2)oc1C ZINC000096248748 463226627 /nfs/dbraw/zinc/22/66/27/463226627.db2.gz CTFJUIWIRLECNL-WBVHZDCISA-N 1 2 330.384 2.215 40 0 EEABLO Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccco2)oc1C ZINC000096248748 463226631 /nfs/dbraw/zinc/22/66/31/463226631.db2.gz CTFJUIWIRLECNL-WBVHZDCISA-N 1 2 330.384 2.215 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)o1 ZINC000096253418 463228528 /nfs/dbraw/zinc/22/85/28/463228528.db2.gz HTFCMGOLWFENPO-CEXWTWQISA-N 1 2 340.423 2.494 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)o1 ZINC000096253418 463228534 /nfs/dbraw/zinc/22/85/34/463228534.db2.gz HTFCMGOLWFENPO-CEXWTWQISA-N 1 2 340.423 2.494 40 0 EEABLO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096259079 463230380 /nfs/dbraw/zinc/23/03/80/463230380.db2.gz LQKOEFPSMMIBES-UHFFFAOYSA-N 1 2 335.411 2.186 40 0 EEABLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000096426512 463256315 /nfs/dbraw/zinc/25/63/15/463256315.db2.gz ZWIYOKRVUCYAGV-HOTGVXAUSA-N 1 2 341.411 2.354 40 0 EEABLO C[C@@H](c1ccco1)N(C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000096447258 463271334 /nfs/dbraw/zinc/27/13/34/463271334.db2.gz BZHJFHOLQGPHFR-AWEZNQCLSA-N 1 2 347.419 2.033 40 0 EEABLO CC(C)(C)c1nc(NC2CCN(C(=O)c3cnccn3)CC2)cc[nH+]1 ZINC000096453683 463274129 /nfs/dbraw/zinc/27/41/29/463274129.db2.gz KXMOSVBSUOIZOY-UHFFFAOYSA-N 1 2 340.431 2.281 40 0 EEABLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3COc4ccccc4C3)sc2C1 ZINC000040468153 463455936 /nfs/dbraw/zinc/45/59/36/463455936.db2.gz GIOKOERPYULINW-LBPRGKRZSA-N 1 2 329.425 2.321 40 0 EEABLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3COc4ccccc4C3)sc2C1 ZINC000040468153 463455941 /nfs/dbraw/zinc/45/59/41/463455941.db2.gz GIOKOERPYULINW-LBPRGKRZSA-N 1 2 329.425 2.321 40 0 EEABLO COC(=O)c1ccc(C[NH+]2CCN(Cc3csc(C)n3)CC2)o1 ZINC000073368570 463607415 /nfs/dbraw/zinc/60/74/15/463607415.db2.gz KZUPAGNFHWRXKB-UHFFFAOYSA-N 1 2 335.429 2.149 40 0 EEABLO CO[C@@H]1C[N@H+](CC(=O)N2CCSc3ccccc32)C[C@]12CCCO2 ZINC000257241888 463758669 /nfs/dbraw/zinc/75/86/69/463758669.db2.gz IABLGTHINSPASK-SJLPKXTDSA-N 1 2 348.468 2.005 40 0 EEABLO CO[C@@H]1C[N@@H+](CC(=O)N2CCSc3ccccc32)C[C@]12CCCO2 ZINC000257241888 463758671 /nfs/dbraw/zinc/75/86/71/463758671.db2.gz IABLGTHINSPASK-SJLPKXTDSA-N 1 2 348.468 2.005 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)[nH+]1 ZINC000257335927 463782222 /nfs/dbraw/zinc/78/22/22/463782222.db2.gz YMLRHBJOHFRHAC-CQSZACIVSA-N 1 2 327.384 2.477 40 0 EEABLO CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cn1 ZINC000225394877 464156695 /nfs/dbraw/zinc/15/66/95/464156695.db2.gz WHJPVDZQFYQRMI-LJQANCHMSA-N 1 2 343.475 2.407 40 0 EEABLO CC(C)N(C)c1ccc(C[N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cn1 ZINC000225394877 464156700 /nfs/dbraw/zinc/15/67/00/464156700.db2.gz WHJPVDZQFYQRMI-LJQANCHMSA-N 1 2 343.475 2.407 40 0 EEABLO Cc1csc([C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000225477649 464164320 /nfs/dbraw/zinc/16/43/20/464164320.db2.gz YSIVVSTYQDORDY-CQSZACIVSA-N 1 2 345.472 2.462 40 0 EEABLO Cc1csc([C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000225477649 464164323 /nfs/dbraw/zinc/16/43/23/464164323.db2.gz YSIVVSTYQDORDY-CQSZACIVSA-N 1 2 345.472 2.462 40 0 EEABLO CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nc2ccsc2c1=O ZINC000188293821 464246747 /nfs/dbraw/zinc/24/67/47/464246747.db2.gz NKCVFUDWGQBSRS-LLVKDONJSA-N 1 2 339.486 2.291 40 0 EEABLO CCn1c(SCC[N@H+]2CCOC[C@H]2C)nc2ccsc2c1=O ZINC000188293821 464246751 /nfs/dbraw/zinc/24/67/51/464246751.db2.gz NKCVFUDWGQBSRS-LLVKDONJSA-N 1 2 339.486 2.291 40 0 EEABLO Cc1c(CN2CCn3c(CCOCC4CC4)c[nH+]c3[C@@H]2C)cnn1C ZINC000585096801 468964779 /nfs/dbraw/zinc/96/47/79/468964779.db2.gz AWGRWLLHADZWCA-HNNXBMFYSA-N 1 2 343.475 2.471 40 0 EEABLO Cc1cc(C)cc(C[N@@H+]2Cc3ccnn3[C@@H](CNC(=O)N(C)C)C2)c1 ZINC000585112390 468975238 /nfs/dbraw/zinc/97/52/38/468975238.db2.gz PEQTXZQOVLLZDR-SFHVURJKSA-N 1 2 341.459 2.328 40 0 EEABLO Cc1cc(C)cc(C[N@H+]2Cc3ccnn3[C@@H](CNC(=O)N(C)C)C2)c1 ZINC000585112390 468975241 /nfs/dbraw/zinc/97/52/41/468975241.db2.gz PEQTXZQOVLLZDR-SFHVURJKSA-N 1 2 341.459 2.328 40 0 EEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCn2ncc3ccccc32)[nH+]1 ZINC000585181466 468996172 /nfs/dbraw/zinc/99/61/72/468996172.db2.gz UEQBAAWFZSNQDP-INIZCTEOSA-N 1 2 339.399 2.058 40 0 EEABLO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019573576 202012448 /nfs/dbraw/zinc/01/24/48/202012448.db2.gz RFRSLNZBQOCMIM-OAHLLOKOSA-N 1 2 331.441 2.260 40 0 EEABLO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019573576 202012450 /nfs/dbraw/zinc/01/24/50/202012450.db2.gz RFRSLNZBQOCMIM-OAHLLOKOSA-N 1 2 331.441 2.260 40 0 EEABLO CC(C)(C)C(=O)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022241602 202082681 /nfs/dbraw/zinc/08/26/81/202082681.db2.gz PUCHNUPGXAJCCC-UHFFFAOYSA-N 1 2 335.473 2.378 40 0 EEABLO O=c1ccn(CCC[NH+]2CCOCC2)c2ccnc(C(F)(F)F)c12 ZINC000036610857 202326168 /nfs/dbraw/zinc/32/61/68/202326168.db2.gz RBNAYFJEDMVCFG-UHFFFAOYSA-N 1 2 341.333 2.138 40 0 EEABLO CC(=O)NC1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000077445527 202392465 /nfs/dbraw/zinc/39/24/65/202392465.db2.gz WDBXIEWQIMFSRQ-UHFFFAOYSA-N 1 2 341.415 2.220 40 0 EEABLO CC(C)c1nc(C2(NC(=O)CCc3c[nH+]cn3C)CCCC2)no1 ZINC000193436252 240163165 /nfs/dbraw/zinc/16/31/65/240163165.db2.gz CWMVYBVVHFWBSO-UHFFFAOYSA-N 1 2 331.420 2.445 40 0 EEABLO COc1cccc(C[N@@H+]2CCC[C@@]2(C)c2nc(C)cc(C(N)=O)n2)c1 ZINC000257202110 244122161 /nfs/dbraw/zinc/12/21/61/244122161.db2.gz AKMKJTABVXHXEY-IBGZPJMESA-N 1 2 340.427 2.404 40 0 EEABLO COc1cccc(C[N@H+]2CCC[C@@]2(C)c2nc(C)cc(C(N)=O)n2)c1 ZINC000257202110 244122169 /nfs/dbraw/zinc/12/21/69/244122169.db2.gz AKMKJTABVXHXEY-IBGZPJMESA-N 1 2 340.427 2.404 40 0 EEABLO O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350602 203204952 /nfs/dbraw/zinc/20/49/52/203204952.db2.gz AGYMWFLAJDTTAM-OAHLLOKOSA-N 1 2 334.383 2.077 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3CCCCC3)CC[N@@H+]2C)c1 ZINC000257276689 244395888 /nfs/dbraw/zinc/39/58/88/244395888.db2.gz NUSVLXFHEWHCTP-SFHVURJKSA-N 1 2 343.471 2.442 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3CCCCC3)CC[N@H+]2C)c1 ZINC000257276689 244395894 /nfs/dbraw/zinc/39/58/94/244395894.db2.gz NUSVLXFHEWHCTP-SFHVURJKSA-N 1 2 343.471 2.442 40 0 EEABLO CC(=O)N[C@H]1CCC[N@H+](CCOc2ccccc2Br)C1 ZINC000093545868 203324442 /nfs/dbraw/zinc/32/44/42/203324442.db2.gz RLDJYNMZKAONHK-ZDUSSCGKSA-N 1 2 341.249 2.428 40 0 EEABLO CC(=O)N[C@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC000093545868 203324444 /nfs/dbraw/zinc/32/44/44/203324444.db2.gz RLDJYNMZKAONHK-ZDUSSCGKSA-N 1 2 341.249 2.428 40 0 EEABLO CC1(C)[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@@H]2CCO[C@@H]21 ZINC000095400963 218335735 /nfs/dbraw/zinc/33/57/35/218335735.db2.gz JOHQNPYPGGMGAZ-WCQGTBRESA-N 1 2 346.353 2.058 40 0 EEABLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@@H](C(N)=O)O1 ZINC000097230935 219000169 /nfs/dbraw/zinc/00/01/69/219000169.db2.gz ACIRGZFKKDDIIZ-WBMJQRKESA-N 1 2 337.851 2.015 40 0 EEABLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@@H](C(N)=O)O1 ZINC000097230935 219000172 /nfs/dbraw/zinc/00/01/72/219000172.db2.gz ACIRGZFKKDDIIZ-WBMJQRKESA-N 1 2 337.851 2.015 40 0 EEABLO COc1ccccc1N1CC[NH+](CCNC(=O)C2CCCC2)CC1 ZINC000052957165 132185689 /nfs/dbraw/zinc/18/56/89/132185689.db2.gz MASHBMNBCHERNP-UHFFFAOYSA-N 1 2 331.460 2.124 40 0 EEABLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000156548224 323333055 /nfs/dbraw/zinc/33/30/55/323333055.db2.gz PFZIYKWQPCKKSJ-HIFRSBDPSA-N 1 2 336.407 2.406 40 0 EEABLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000156548224 323333060 /nfs/dbraw/zinc/33/30/60/323333060.db2.gz PFZIYKWQPCKKSJ-HIFRSBDPSA-N 1 2 336.407 2.406 40 0 EEABLO CC(C)c1nnc(C2CC[NH+](CC(=O)Nc3cccnc3)CC2)o1 ZINC000085470728 462550602 /nfs/dbraw/zinc/55/06/02/462550602.db2.gz FYQJVAJNNHWKBJ-UHFFFAOYSA-N 1 2 329.404 2.406 40 0 EEABLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)cn3C)c[nH+]2)CCO1 ZINC000046717108 462698085 /nfs/dbraw/zinc/69/80/85/462698085.db2.gz BEDBVRLSMMMDBH-GFCCVEGCSA-N 1 2 348.834 2.229 40 0 EEABLO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000019334479 463016985 /nfs/dbraw/zinc/01/69/85/463016985.db2.gz ZWFOXPGCGOFBES-UHFFFAOYSA-N 1 2 337.358 2.337 40 0 EEABLO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000019334479 463016987 /nfs/dbraw/zinc/01/69/87/463016987.db2.gz ZWFOXPGCGOFBES-UHFFFAOYSA-N 1 2 337.358 2.337 40 0 EEABLO CC[N@H+](CCS(C)(=O)=O)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093815965 463049942 /nfs/dbraw/zinc/04/99/42/463049942.db2.gz MJCVRUXZPHIDEV-UHFFFAOYSA-N 1 2 343.399 2.221 40 0 EEABLO CC[N@@H+](CCS(C)(=O)=O)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000093815965 463049944 /nfs/dbraw/zinc/04/99/44/463049944.db2.gz MJCVRUXZPHIDEV-UHFFFAOYSA-N 1 2 343.399 2.221 40 0 EEABLO CC(=O)N1Cc2[nH+]cn(CC3CC3)c2[C@H](COCC2CCOCC2)C1 ZINC000096045170 463148690 /nfs/dbraw/zinc/14/86/90/463148690.db2.gz GDWKOCYVSUMPRE-KRWDZBQOSA-N 1 2 347.459 2.182 40 0 EEABLO O=C(NCC1CC1)[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000096056703 463157880 /nfs/dbraw/zinc/15/78/80/463157880.db2.gz KKMCNYKMUCFNFU-CGTJXYLNSA-N 1 2 332.419 2.331 40 0 EEABLO O=C(NCC1CC1)[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000096056703 463157881 /nfs/dbraw/zinc/15/78/81/463157881.db2.gz KKMCNYKMUCFNFU-CGTJXYLNSA-N 1 2 332.419 2.331 40 0 EEABLO Cc1nc(CO[C@@H]2CO[C@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072411 463167329 /nfs/dbraw/zinc/16/73/29/463167329.db2.gz QCTHLMPVTXGDCB-JKSUJKDBSA-N 1 2 334.445 2.125 40 0 EEABLO Cc1nc(CO[C@@H]2CO[C@]3(CC[N@@H+](Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072411 463167335 /nfs/dbraw/zinc/16/73/35/463167335.db2.gz QCTHLMPVTXGDCB-JKSUJKDBSA-N 1 2 334.445 2.125 40 0 EEABLO O=C1[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2OCCN1c1ccccc1 ZINC000096107115 463175618 /nfs/dbraw/zinc/17/56/18/463175618.db2.gz CYSAYPBPGDINBW-CVEARBPZSA-N 1 2 343.452 2.397 40 0 EEABLO O=C1[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2OCCN1c1ccccc1 ZINC000096107115 463175624 /nfs/dbraw/zinc/17/56/24/463175624.db2.gz CYSAYPBPGDINBW-CVEARBPZSA-N 1 2 343.452 2.397 40 0 EEABLO COc1ccc(Cl)cc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000068920653 463190537 /nfs/dbraw/zinc/19/05/37/463190537.db2.gz WYVIEFXFYBPRAC-UHFFFAOYSA-N 1 2 326.824 2.189 40 0 EEABLO Cc1c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n[nH]c1C1CC1 ZINC000096420757 463251758 /nfs/dbraw/zinc/25/17/58/463251758.db2.gz MLSQKCZOOAVVRM-MRXNPFEDSA-N 1 2 340.427 2.435 40 0 EEABLO Cc1c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n[nH]c1C1CC1 ZINC000096420757 463251765 /nfs/dbraw/zinc/25/17/65/463251765.db2.gz MLSQKCZOOAVVRM-MRXNPFEDSA-N 1 2 340.427 2.435 40 0 EEABLO Cc1[nH+]c2cc(NC(=O)[C@@H](C(C)C)N3CCCC3=O)ccc2n1C ZINC000096432952 463261346 /nfs/dbraw/zinc/26/13/46/463261346.db2.gz WBHBQFNMRGMCAX-QGZVFWFLSA-N 1 2 328.416 2.467 40 0 EEABLO Cc1cccc(C[N@H+](CC(=O)N2CCOCC2)Cc2ccccn2)c1 ZINC000096452940 463273263 /nfs/dbraw/zinc/27/32/63/463273263.db2.gz JVCCPKXWYMKAMY-UHFFFAOYSA-N 1 2 339.439 2.251 40 0 EEABLO Cc1cccc(C[N@@H+](CC(=O)N2CCOCC2)Cc2ccccn2)c1 ZINC000096452940 463273269 /nfs/dbraw/zinc/27/32/69/463273269.db2.gz JVCCPKXWYMKAMY-UHFFFAOYSA-N 1 2 339.439 2.251 40 0 EEABLO Cc1nc(C[NH2+]C(C)(C)COc2ncccc2Br)no1 ZINC000096499946 463289892 /nfs/dbraw/zinc/28/98/92/463289892.db2.gz SBFHPNSOIHYCRH-UHFFFAOYSA-N 1 2 341.209 2.483 40 0 EEABLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)N[C@H]2CCCSC2)CC1 ZINC000096503184 463292898 /nfs/dbraw/zinc/29/28/98/463292898.db2.gz BPTRUIUPCFFRGL-CABCVRRESA-N 1 2 334.489 2.365 40 0 EEABLO CCC[N@H+](CC(=O)NCc1ccco1)Cc1nnc(-c2ccco2)o1 ZINC000040465885 463455825 /nfs/dbraw/zinc/45/58/25/463455825.db2.gz OJQZKSNZIJUNAP-UHFFFAOYSA-N 1 2 344.371 2.451 40 0 EEABLO CCC[N@@H+](CC(=O)NCc1ccco1)Cc1nnc(-c2ccco2)o1 ZINC000040465885 463455827 /nfs/dbraw/zinc/45/58/27/463455827.db2.gz OJQZKSNZIJUNAP-UHFFFAOYSA-N 1 2 344.371 2.451 40 0 EEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)C2)[nH+]1 ZINC000257288847 463762963 /nfs/dbraw/zinc/76/29/63/463762963.db2.gz PVYSHVMZUIWQNP-VIFPVBQESA-N 1 2 327.310 2.100 40 0 EEABLO C[N@H+](CC(=O)N1CCC[C@H](c2nccs2)C1)Cc1cccnc1 ZINC000257325197 463777889 /nfs/dbraw/zinc/77/78/89/463777889.db2.gz WRXNHTHRCANPIO-HNNXBMFYSA-N 1 2 330.457 2.376 40 0 EEABLO C[N@@H+](CC(=O)N1CCC[C@H](c2nccs2)C1)Cc1cccnc1 ZINC000257325197 463777895 /nfs/dbraw/zinc/77/78/95/463777895.db2.gz WRXNHTHRCANPIO-HNNXBMFYSA-N 1 2 330.457 2.376 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(C(=O)CC3CCCC3)CC[N@@H+]2C)c1 ZINC000257330824 463781347 /nfs/dbraw/zinc/78/13/47/463781347.db2.gz XQFJGLSSZKAUGZ-GOSISDBHSA-N 1 2 343.471 2.442 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(C(=O)CC3CCCC3)CC[N@H+]2C)c1 ZINC000257330824 463781354 /nfs/dbraw/zinc/78/13/54/463781354.db2.gz XQFJGLSSZKAUGZ-GOSISDBHSA-N 1 2 343.471 2.442 40 0 EEABLO COc1cccc(C[N@@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c1F ZINC000257334057 463782112 /nfs/dbraw/zinc/78/21/12/463782112.db2.gz YEILVOXWOLXQJU-OAHLLOKOSA-N 1 2 347.390 2.164 40 0 EEABLO COc1cccc(C[N@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c1F ZINC000257334057 463782116 /nfs/dbraw/zinc/78/21/16/463782116.db2.gz YEILVOXWOLXQJU-OAHLLOKOSA-N 1 2 347.390 2.164 40 0 EEABLO Nc1c(F)cc(Cl)cc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000225555063 464171262 /nfs/dbraw/zinc/17/12/62/464171262.db2.gz YALFTUGWEJQHGI-UHFFFAOYSA-N 1 2 348.809 2.414 40 0 EEABLO COc1ccc(OC)c2c1C[N@H+](Cc1cnn3ccccc13)C[C@@H]2O ZINC000179756104 464182674 /nfs/dbraw/zinc/18/26/74/464182674.db2.gz BVFJHFRPKKUIEH-INIZCTEOSA-N 1 2 339.395 2.401 40 0 EEABLO COc1ccc(OC)c2c1C[N@@H+](Cc1cnn3ccccc13)C[C@@H]2O ZINC000179756104 464182676 /nfs/dbraw/zinc/18/26/76/464182676.db2.gz BVFJHFRPKKUIEH-INIZCTEOSA-N 1 2 339.395 2.401 40 0 EEABLO COC(=O)[C@H]1CC[C@H](C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000253433449 465014872 /nfs/dbraw/zinc/01/48/72/465014872.db2.gz XAKCTFSWKCSZIK-RBSFLKMASA-N 1 2 333.432 2.165 40 0 EEABLO CNC(=O)c1cccc(CCNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000302875212 466205337 /nfs/dbraw/zinc/20/53/37/466205337.db2.gz DWRRGMCLXSZHNO-UHFFFAOYSA-N 1 2 325.416 2.091 40 0 EEABLO CNC(=O)c1cccc(CCNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000302875212 466205353 /nfs/dbraw/zinc/20/53/53/466205353.db2.gz DWRRGMCLXSZHNO-UHFFFAOYSA-N 1 2 325.416 2.091 40 0 EEABLO Cc1cc(C(=O)N2CC[C@H]3CCN(c4cccc[nH+]4)[C@@H]3CC2)[nH]n1 ZINC000306131220 466491372 /nfs/dbraw/zinc/49/13/72/466491372.db2.gz JYULBKPQFRTIBD-GOEBONIOSA-N 1 2 325.416 2.244 40 0 EEABLO Cc1cc(C(=O)N2CC[C@H]3CCN(c4cccc[nH+]4)[C@@H]3CC2)n[nH]1 ZINC000306131220 466491377 /nfs/dbraw/zinc/49/13/77/466491377.db2.gz JYULBKPQFRTIBD-GOEBONIOSA-N 1 2 325.416 2.244 40 0 EEABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](COc3ncccc3F)C2)no1 ZINC000306135307 466492518 /nfs/dbraw/zinc/49/25/18/466492518.db2.gz ONBYZWVMKINDCO-OAHLLOKOSA-N 1 2 343.362 2.350 40 0 EEABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc2ncccc2c1 ZINC000585094605 468963501 /nfs/dbraw/zinc/96/35/01/468963501.db2.gz DYAQYBGWKYEYOJ-HNNXBMFYSA-N 1 2 336.395 2.182 40 0 EEABLO CC(C)COC(=O)N1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccn1 ZINC000585107823 468972592 /nfs/dbraw/zinc/97/25/92/468972592.db2.gz FTVSRHICYXPDOP-IRXDYDNUSA-N 1 2 333.432 2.149 40 0 EEABLO CC(C)COC(=O)N1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccn1 ZINC000585107823 468972595 /nfs/dbraw/zinc/97/25/95/468972595.db2.gz FTVSRHICYXPDOP-IRXDYDNUSA-N 1 2 333.432 2.149 40 0 EEABLO CCCn1ccnc1C[N@@H+]1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585269405 468997740 /nfs/dbraw/zinc/99/77/40/468997740.db2.gz SCTKQNDBZIFQEG-SFHVURJKSA-N 1 2 333.407 2.448 40 0 EEABLO CCCn1ccnc1C[N@H+]1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585269405 468997743 /nfs/dbraw/zinc/99/77/43/468997743.db2.gz SCTKQNDBZIFQEG-SFHVURJKSA-N 1 2 333.407 2.448 40 0 EEABLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)CC1 ZINC000022521785 202086417 /nfs/dbraw/zinc/08/64/17/202086417.db2.gz ZXTVJUBNDJUNPA-ZDUSSCGKSA-N 1 2 338.473 2.349 40 0 EEABLO Cc1occc1C(=O)NC1CC[NH+](Cc2c(Cl)cnn2C)CC1 ZINC000187160039 236134258 /nfs/dbraw/zinc/13/42/58/236134258.db2.gz QEYCUFWLHMSWLV-UHFFFAOYSA-N 1 2 336.823 2.369 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccsc3)CC[N@@H+]2C)c1 ZINC000257246264 244258268 /nfs/dbraw/zinc/25/82/68/244258268.db2.gz ITIUGXMTHCICPI-INIZCTEOSA-N 1 2 343.452 2.237 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccsc3)CC[N@H+]2C)c1 ZINC000257246264 244258277 /nfs/dbraw/zinc/25/82/77/244258277.db2.gz ITIUGXMTHCICPI-INIZCTEOSA-N 1 2 343.452 2.237 40 0 EEABLO CC(C)c1cccc(N2C[C@H](C(=O)NCCn3cc[nH+]c3)CC2=O)c1 ZINC000044376189 204299849 /nfs/dbraw/zinc/29/98/49/204299849.db2.gz GIDIGOXEKBVBOL-MRXNPFEDSA-N 1 2 340.427 2.176 40 0 EEABLO C[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1nc(C(C)(C)C)no1 ZINC000177582428 207359662 /nfs/dbraw/zinc/35/96/62/207359662.db2.gz PLFXNCWVNOFIPW-STQMWFEESA-N 1 2 346.435 2.499 40 0 EEABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2ccccn2)CC1 ZINC000019240334 293067692 /nfs/dbraw/zinc/06/76/92/293067692.db2.gz QTGFXLWEIHKCIQ-UHFFFAOYSA-N 1 2 326.425 2.220 40 0 EEABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2ccccn2)CC1 ZINC000019240334 293067697 /nfs/dbraw/zinc/06/76/97/293067697.db2.gz QTGFXLWEIHKCIQ-UHFFFAOYSA-N 1 2 326.425 2.220 40 0 EEABLO O=S(=O)(c1ccco1)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000188727847 464353389 /nfs/dbraw/zinc/35/33/89/464353389.db2.gz KJOHHHZDCHRRNE-CQSZACIVSA-N 1 2 329.381 2.469 40 0 EEABLO C[C@@H](Oc1cccc2ccccc21)C(=O)NCC[NH+]1CCOCC1 ZINC000013709488 462901558 /nfs/dbraw/zinc/90/15/58/462901558.db2.gz RXKQSNGKCKEOMP-OAHLLOKOSA-N 1 2 328.412 2.056 40 0 EEABLO C[C@@](O)(CNC(=O)NCCc1[nH+]ccn1C(F)F)c1ccsc1 ZINC000077562025 463006366 /nfs/dbraw/zinc/00/63/66/463006366.db2.gz SRAZFBBMLWTRKZ-CQSZACIVSA-N 1 2 344.387 2.089 40 0 EEABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1ccsc1 ZINC000096062054 463161083 /nfs/dbraw/zinc/16/10/83/463161083.db2.gz OQMGBZNEYSWFNM-GFCCVEGCSA-N 1 2 327.413 2.406 40 0 EEABLO Cc1ccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccco2)CCO3)nn1 ZINC000096074848 463169461 /nfs/dbraw/zinc/16/94/61/463169461.db2.gz YOZVNZKHGVXTDF-GOSISDBHSA-N 1 2 328.416 2.249 40 0 EEABLO Cc1ccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccco2)CCO3)nn1 ZINC000096074848 463169466 /nfs/dbraw/zinc/16/94/66/463169466.db2.gz YOZVNZKHGVXTDF-GOSISDBHSA-N 1 2 328.416 2.249 40 0 EEABLO O=C(c1cscn1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096158995 463191241 /nfs/dbraw/zinc/19/12/41/463191241.db2.gz LFHRKRFQFHZNTC-UHFFFAOYSA-N 1 2 344.440 2.050 40 0 EEABLO CC(C)(CNc1ncnc2cccc(F)c21)[NH+]1CCS(=O)CC1 ZINC000096418728 463250185 /nfs/dbraw/zinc/25/01/85/463250185.db2.gz VWFOMMDVSIYPCL-UHFFFAOYSA-N 1 2 336.436 2.024 40 0 EEABLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nc(C(C)(C)C)no1 ZINC000096432758 463261014 /nfs/dbraw/zinc/26/10/14/463261014.db2.gz NZPAYFDKYICOQW-NSHDSACASA-N 1 2 340.387 2.439 40 0 EEABLO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000097378953 463358526 /nfs/dbraw/zinc/35/85/26/463358526.db2.gz XEHRIFFJUFOPPP-HNNXBMFYSA-N 1 2 325.412 2.235 40 0 EEABLO CS(=O)(=O)c1ccccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000073109892 463584319 /nfs/dbraw/zinc/58/43/19/463584319.db2.gz BCBPWJPNGVYIDR-UHFFFAOYSA-N 1 2 344.480 2.455 40 0 EEABLO CCCn1cc[nH+]c1CN1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257325722 463778557 /nfs/dbraw/zinc/77/85/57/463778557.db2.gz WUDKGEAINRPGAC-MRXNPFEDSA-N 1 2 329.448 2.328 40 0 EEABLO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1cn(-c2ccccc2)nn1 ZINC000185486405 463830352 /nfs/dbraw/zinc/83/03/52/463830352.db2.gz MCKJLNNZRVHELH-XHSDSOJGSA-N 1 2 341.459 2.422 40 0 EEABLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccc(C)cn3)CC2)no1 ZINC000182849535 464742259 /nfs/dbraw/zinc/74/22/59/464742259.db2.gz PQDCKDFSLIASDM-UHFFFAOYSA-N 1 2 330.388 2.168 40 0 EEABLO C[C@H](C[S@](C)=O)[N@H+](C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000248721147 464791512 /nfs/dbraw/zinc/79/15/12/464791512.db2.gz GPSHNAMNXXLFIK-PVSQZPHNSA-N 1 2 326.437 2.020 40 0 EEABLO C[C@H](C[S@](C)=O)[N@@H+](C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000248721147 464791517 /nfs/dbraw/zinc/79/15/17/464791517.db2.gz GPSHNAMNXXLFIK-PVSQZPHNSA-N 1 2 326.437 2.020 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3cccn3[C@@H](COCC(=O)N(C)C)C2)o1 ZINC000306135879 466491399 /nfs/dbraw/zinc/49/13/99/466491399.db2.gz PDRLWQMDUFLXPP-MRXNPFEDSA-N 1 2 331.416 2.051 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3cccn3[C@@H](COCC(=O)N(C)C)C2)o1 ZINC000306135879 466491407 /nfs/dbraw/zinc/49/14/07/466491407.db2.gz PDRLWQMDUFLXPP-MRXNPFEDSA-N 1 2 331.416 2.051 40 0 EEABLO O=C1N(CC2CCC2)CC[C@@]12C[N@@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093074 468962625 /nfs/dbraw/zinc/96/26/25/468962625.db2.gz YDLBKXOMQUCKEC-MRXNPFEDSA-N 1 2 338.402 2.270 40 0 EEABLO O=C1N(CC2CCC2)CC[C@@]12C[N@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093074 468962629 /nfs/dbraw/zinc/96/26/29/468962629.db2.gz YDLBKXOMQUCKEC-MRXNPFEDSA-N 1 2 338.402 2.270 40 0 EEABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc2ccccc2n1 ZINC000585094863 468963199 /nfs/dbraw/zinc/96/31/99/468963199.db2.gz QVAFOZKTAROVNB-AWEZNQCLSA-N 1 2 336.395 2.182 40 0 EEABLO CC(C)CO[C@@H]1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663712750 471487746 /nfs/dbraw/zinc/48/77/46/471487746.db2.gz SLEXKZXQRCNFIJ-OAHLLOKOSA-N 1 2 334.464 2.079 40 0 EEABLO CC(C)CO[C@@H]1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663712750 471487750 /nfs/dbraw/zinc/48/77/50/471487750.db2.gz SLEXKZXQRCNFIJ-OAHLLOKOSA-N 1 2 334.464 2.079 40 0 EEABLO CN(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)cc[nH+]1 ZINC000257263404 536145094 /nfs/dbraw/zinc/14/50/94/536145094.db2.gz LPUFOWQCWGYVGD-HNNXBMFYSA-N 1 2 332.429 2.068 40 0 EEABLO C[C@@]1(C(=O)NCCn2cc[nH+]c2)CC(c2ccccc2Cl)=NO1 ZINC000019460865 202009322 /nfs/dbraw/zinc/00/93/22/202009322.db2.gz YIMUNMCDXSOHIF-INIZCTEOSA-N 1 2 332.791 2.236 40 0 EEABLO Cc1ccoc1C(=O)Nc1ccccc1OCC[NH+]1CCN(C)CC1 ZINC000078608851 202397639 /nfs/dbraw/zinc/39/76/39/202397639.db2.gz YTFUDOLSERWZPY-UHFFFAOYSA-N 1 2 343.427 2.467 40 0 EEABLO COCCC(=O)N1CCC[C@@H]1c1cccc(-c2c[nH+]c(C)n2C)n1 ZINC000257210048 244147608 /nfs/dbraw/zinc/14/76/08/244147608.db2.gz BSXNVOWEQJCOJD-MRXNPFEDSA-N 1 2 328.416 2.491 40 0 EEABLO Cc1cc(N2CCC[C@](CCCc3ccccn3)(C(N)=O)C2)nc[nH+]1 ZINC000072367256 203207078 /nfs/dbraw/zinc/20/70/78/203207078.db2.gz NXHYZCWAMDKYGA-IBGZPJMESA-N 1 2 339.443 2.275 40 0 EEABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000096207208 285469586 /nfs/dbraw/zinc/46/95/86/285469586.db2.gz KRZLWHVTYQVLEJ-CQSZACIVSA-N 1 2 338.411 2.293 40 0 EEABLO COC[C@@H]1CN(C(=O)c2cccn2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060280 292918825 /nfs/dbraw/zinc/91/88/25/292918825.db2.gz VTRPBXNNSSXHJN-AWEZNQCLSA-N 1 2 328.416 2.018 40 0 EEABLO COCCN1CC[N@H+](Cc2cccc(-c3ccncc3)c2)CC1=O ZINC000097235516 323321404 /nfs/dbraw/zinc/32/14/04/323321404.db2.gz XUHCHOIOLVSRAL-UHFFFAOYSA-N 1 2 325.412 2.039 40 0 EEABLO COCCN1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC1=O ZINC000097235516 323321406 /nfs/dbraw/zinc/32/14/06/323321406.db2.gz XUHCHOIOLVSRAL-UHFFFAOYSA-N 1 2 325.412 2.039 40 0 EEABLO COC(=O)c1cc(NC(=O)NCCn2cc[nH+]c2)cc(Cl)c1F ZINC000390833249 323545579 /nfs/dbraw/zinc/54/55/79/323545579.db2.gz FGLNMKGUXAHMBX-UHFFFAOYSA-N 1 2 340.742 2.284 40 0 EEABLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000184842712 465028983 /nfs/dbraw/zinc/02/89/83/465028983.db2.gz BZGHIUVBRKDSAD-CYBMUJFWSA-N 1 2 339.233 2.094 40 0 EEABLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000184842712 465028984 /nfs/dbraw/zinc/02/89/84/465028984.db2.gz BZGHIUVBRKDSAD-CYBMUJFWSA-N 1 2 339.233 2.094 40 0 EEABLO COc1cc(C[NH+]2CCN(C[C@@H](O)c3ccco3)CC2)cc(OC)c1 ZINC000085436908 462547918 /nfs/dbraw/zinc/54/79/18/462547918.db2.gz YQYXCYICTCQITB-GOSISDBHSA-N 1 2 346.427 2.148 40 0 EEABLO CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)nc1 ZINC000088520437 462633826 /nfs/dbraw/zinc/63/38/26/462633826.db2.gz DRBDXBGPXLGSBF-ZDUSSCGKSA-N 1 2 331.338 2.075 40 0 EEABLO CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)nc1 ZINC000088520437 462633828 /nfs/dbraw/zinc/63/38/28/462633828.db2.gz DRBDXBGPXLGSBF-ZDUSSCGKSA-N 1 2 331.338 2.075 40 0 EEABLO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3O2)n[nH]1 ZINC000096046203 463150640 /nfs/dbraw/zinc/15/06/40/463150640.db2.gz OEGWNIIBPMZWBL-IAOVAPTHSA-N 1 2 342.399 2.194 40 0 EEABLO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3O2)n[nH]1 ZINC000096046203 463150643 /nfs/dbraw/zinc/15/06/43/463150643.db2.gz OEGWNIIBPMZWBL-IAOVAPTHSA-N 1 2 342.399 2.194 40 0 EEABLO O=C(Cc1ccccc1)N1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096068058 463164947 /nfs/dbraw/zinc/16/49/47/463164947.db2.gz LFRYIWXJOLJNDX-UHFFFAOYSA-N 1 2 347.422 2.475 40 0 EEABLO Cc1nc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072412 463167378 /nfs/dbraw/zinc/16/73/78/463167378.db2.gz QCTHLMPVTXGDCB-CVEARBPZSA-N 1 2 334.445 2.125 40 0 EEABLO Cc1nc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072412 463167385 /nfs/dbraw/zinc/16/73/85/463167385.db2.gz QCTHLMPVTXGDCB-CVEARBPZSA-N 1 2 334.445 2.125 40 0 EEABLO C[C@H]1CN(c2ccc(NC(=O)NCCCn3cc[nH+]c3)cc2)CCO1 ZINC000096418698 463250595 /nfs/dbraw/zinc/25/05/95/463250595.db2.gz UQVOUARWXHPEDN-HNNXBMFYSA-N 1 2 343.431 2.320 40 0 EEABLO Cc1cccc(N2CCN(Cc3ncnn3CC(C)C)[C@H](C)C2)[nH+]1 ZINC000096497117 463290758 /nfs/dbraw/zinc/29/07/58/463290758.db2.gz AUNFQMNEBCCQBJ-MRXNPFEDSA-N 1 2 328.464 2.348 40 0 EEABLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)N[C@@H]2CCCSC2)CC1 ZINC000096503182 463293134 /nfs/dbraw/zinc/29/31/34/463293134.db2.gz BPTRUIUPCFFRGL-HUUCEWRRSA-N 1 2 334.489 2.365 40 0 EEABLO CN(C(=O)Cn1cc(Cl)cn1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257282260 463759930 /nfs/dbraw/zinc/75/99/30/463759930.db2.gz OTBAUTBBESIHEJ-CQSZACIVSA-N 1 2 333.823 2.059 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000257312877 463773605 /nfs/dbraw/zinc/77/36/05/463773605.db2.gz UPZSAXLXPKYIGU-GFCCVEGCSA-N 1 2 339.486 2.329 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000257312877 463773610 /nfs/dbraw/zinc/77/36/10/463773610.db2.gz UPZSAXLXPKYIGU-GFCCVEGCSA-N 1 2 339.486 2.329 40 0 EEABLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257325901 463778440 /nfs/dbraw/zinc/77/84/40/463778440.db2.gz WUYAREPFTRANCH-KRWDZBQOSA-N 1 2 329.448 2.071 40 0 EEABLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257325901 463778443 /nfs/dbraw/zinc/77/84/43/463778443.db2.gz WUYAREPFTRANCH-KRWDZBQOSA-N 1 2 329.448 2.071 40 0 EEABLO Fc1ccc([C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2ncc[nH]2)cc1 ZINC000188376395 464266435 /nfs/dbraw/zinc/26/64/35/464266435.db2.gz ANDUSRWMLULYOX-JKSUJKDBSA-N 1 2 347.390 2.150 40 0 EEABLO CNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000239352168 464441925 /nfs/dbraw/zinc/44/19/25/464441925.db2.gz ABHNNXAXHSDQMA-LBPRGKRZSA-N 1 2 344.196 2.174 40 0 EEABLO CNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000239352168 464441929 /nfs/dbraw/zinc/44/19/29/464441929.db2.gz ABHNNXAXHSDQMA-LBPRGKRZSA-N 1 2 344.196 2.174 40 0 EEABLO CC(=O)NC1CN(C(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)C1 ZINC000252490077 464967140 /nfs/dbraw/zinc/96/71/40/464967140.db2.gz KILQYTNGUWZMBB-ZDUSSCGKSA-N 1 2 345.447 2.121 40 0 EEABLO C[C@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1Cc1cn[nH]c1 ZINC000585096780 468964443 /nfs/dbraw/zinc/96/44/43/468964443.db2.gz AFKMAXBKCGXDQQ-AWEZNQCLSA-N 1 2 338.415 2.200 40 0 EEABLO C[C@H]1c2ncc(CCOc3ccccn3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585096780 468964446 /nfs/dbraw/zinc/96/44/46/468964446.db2.gz AFKMAXBKCGXDQQ-AWEZNQCLSA-N 1 2 338.415 2.200 40 0 EEABLO C[C@H]1c2ncc(CCOc3ccccn3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585096780 468964451 /nfs/dbraw/zinc/96/44/51/468964451.db2.gz AFKMAXBKCGXDQQ-AWEZNQCLSA-N 1 2 338.415 2.200 40 0 EEABLO Cc1noc(C)c1C(=O)N1Cc2c[nH+]cn2CC[C@@H]1COCC1CC1 ZINC000585096969 468964762 /nfs/dbraw/zinc/96/47/62/468964762.db2.gz GDNQPMQCBOCXPR-OAHLLOKOSA-N 1 2 344.415 2.329 40 0 EEABLO CCOC[C@H]1CCn2c[nH+]cc2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585097805 468965897 /nfs/dbraw/zinc/96/58/97/468965897.db2.gz QJXPQOVIQZTTQJ-CQSZACIVSA-N 1 2 343.383 2.063 40 0 EEABLO CO[C@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2C)C[C@]12CCCO2 ZINC000585266276 468994936 /nfs/dbraw/zinc/99/49/36/468994936.db2.gz FOLUCDXSPZCTIF-FUHWJXTLSA-N 1 2 336.407 2.343 40 0 EEABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2C)C[C@]12CCCO2 ZINC000585266276 468994943 /nfs/dbraw/zinc/99/49/43/468994943.db2.gz FOLUCDXSPZCTIF-FUHWJXTLSA-N 1 2 336.407 2.343 40 0 EEABLO CCCn1cc(C[N@@H+]2CCO[C@@](CO)(Cc3ccc(C)cc3)C2)cn1 ZINC000585278323 469003745 /nfs/dbraw/zinc/00/37/45/469003745.db2.gz RVPRGERLGUXTMY-FQEVSTJZSA-N 1 2 343.471 2.408 40 0 EEABLO CCCn1cc(C[N@H+]2CCO[C@@](CO)(Cc3ccc(C)cc3)C2)cn1 ZINC000585278323 469003748 /nfs/dbraw/zinc/00/37/48/469003748.db2.gz RVPRGERLGUXTMY-FQEVSTJZSA-N 1 2 343.471 2.408 40 0 EEABLO CNc1cncc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000257343049 536421775 /nfs/dbraw/zinc/42/17/75/536421775.db2.gz ZRGMBGCNOPFFLJ-OAHLLOKOSA-N 1 2 349.398 2.076 40 0 EEABLO Cc1cn2c(nc(C[N@H+]3CC=C(c4ccnn4C)CC3)cc2=O)s1 ZINC000930446520 1206558550 /nfs/dbraw/zinc/55/85/50/1206558550.db2.gz SHZLEIAKZOPFJK-UHFFFAOYSA-N 1 2 341.440 2.087 40 0 EEABLO Cc1cn2c(nc(C[N@@H+]3CC=C(c4ccnn4C)CC3)cc2=O)s1 ZINC000930446520 1206558551 /nfs/dbraw/zinc/55/85/51/1206558551.db2.gz SHZLEIAKZOPFJK-UHFFFAOYSA-N 1 2 341.440 2.087 40 0 EEABLO COc1ccc(-n2cnc3c(cnn3C[NH+]3CCCCC3)c2=O)cc1 ZINC000031771911 202210205 /nfs/dbraw/zinc/21/02/05/202210205.db2.gz VFCATLUABJKALK-UHFFFAOYSA-N 1 2 339.399 2.034 40 0 EEABLO CNC(=O)C[N@@H+]1CCCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000257263357 283317573 /nfs/dbraw/zinc/31/75/73/283317573.db2.gz LPMROHBVZIOUOV-HNNXBMFYSA-N 1 2 340.431 2.197 40 0 EEABLO CNC(=O)C[N@H+]1CCCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000257263357 283317575 /nfs/dbraw/zinc/31/75/75/283317575.db2.gz LPMROHBVZIOUOV-HNNXBMFYSA-N 1 2 340.431 2.197 40 0 EEABLO O=C(NCc1[nH+]ccn1Cc1ccccc1)N[C@@H]1CCCC[C@H]1O ZINC000074818075 202373897 /nfs/dbraw/zinc/37/38/97/202373897.db2.gz QLSBNCALGJSOSG-HZPDHXFCSA-N 1 2 328.416 2.034 40 0 EEABLO C[NH+]1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000226751354 242113226 /nfs/dbraw/zinc/11/32/26/242113226.db2.gz RGFHIOICZXBGGB-UHFFFAOYSA-N 1 2 338.333 2.279 40 0 EEABLO CN(C(=O)c1cnc(C2CC2)nc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257200026 244116032 /nfs/dbraw/zinc/11/60/32/244116032.db2.gz ABRUJQNPHCIYQH-INIZCTEOSA-N 1 2 337.427 2.490 40 0 EEABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ccncn2)c1 ZINC000257208439 244144746 /nfs/dbraw/zinc/14/47/46/244144746.db2.gz BMDXJOJZRUGEDK-INIZCTEOSA-N 1 2 335.367 2.079 40 0 EEABLO COc1ccccc1[C@H]1C[N@H+](Cc2cccnc2)CCN1C(C)=O ZINC000257225906 244200846 /nfs/dbraw/zinc/20/08/46/244200846.db2.gz FIHZBEKREAAJGP-GOSISDBHSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccccc1[C@H]1C[N@@H+](Cc2cccnc2)CCN1C(C)=O ZINC000257225906 244200851 /nfs/dbraw/zinc/20/08/51/244200851.db2.gz FIHZBEKREAAJGP-GOSISDBHSA-N 1 2 325.412 2.496 40 0 EEABLO Cc1cc(C2CCN(C(=O)CCn3cc[nH+]c3)CC2)nc2ccnn21 ZINC000257269480 244374844 /nfs/dbraw/zinc/37/48/44/244374844.db2.gz MQEAZMPIEYBMFA-UHFFFAOYSA-N 1 2 338.415 2.031 40 0 EEABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)COc2ccccc2F)CC1 ZINC000044448782 204299865 /nfs/dbraw/zinc/29/98/65/204299865.db2.gz UMBDVDNQCLTEKM-UHFFFAOYSA-N 1 2 347.390 2.154 40 0 EEABLO C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1nc(C(C)(C)C)no1 ZINC000177582407 207358711 /nfs/dbraw/zinc/35/87/11/207358711.db2.gz PLFXNCWVNOFIPW-QWHCGFSZSA-N 1 2 346.435 2.499 40 0 EEABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ccnnc2)cc1 ZINC000257201068 277936397 /nfs/dbraw/zinc/93/63/97/277936397.db2.gz AGBJZXTZQIMINF-MRXNPFEDSA-N 1 2 335.367 2.079 40 0 EEABLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000078923116 297164555 /nfs/dbraw/zinc/16/45/55/297164555.db2.gz BLBQPMBRBUGGPC-IJEWVQPXSA-N 1 2 345.443 2.167 40 0 EEABLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000078923116 297164558 /nfs/dbraw/zinc/16/45/58/297164558.db2.gz BLBQPMBRBUGGPC-IJEWVQPXSA-N 1 2 345.443 2.167 40 0 EEABLO CCn1c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=[NH2+] ZINC000334157836 465040354 /nfs/dbraw/zinc/04/03/54/465040354.db2.gz SZKCWFMTOKDWOY-UHFFFAOYSA-N 1 2 338.367 2.310 40 0 EEABLO COc1cccc(NCc2n[nH]c([C@H]([NH3+])c3cccc(OC)c3)n2)c1 ZINC000095533553 463107821 /nfs/dbraw/zinc/10/78/21/463107821.db2.gz ODTVUUCYTCKZKE-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1cccc(NCc2nnc([C@H]([NH3+])c3cccc(OC)c3)[nH]2)c1 ZINC000095533553 463107825 /nfs/dbraw/zinc/10/78/25/463107825.db2.gz ODTVUUCYTCKZKE-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1cccc(NCc2nc([C@H]([NH3+])c3cccc(OC)c3)n[nH]2)c1 ZINC000095533553 463107830 /nfs/dbraw/zinc/10/78/30/463107830.db2.gz ODTVUUCYTCKZKE-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)c1 ZINC000096042163 463146217 /nfs/dbraw/zinc/14/62/17/463146217.db2.gz URSOFHVDPNJFNG-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)c1 ZINC000096042163 463146221 /nfs/dbraw/zinc/14/62/21/463146221.db2.gz URSOFHVDPNJFNG-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)C1CCC1)CC2)Cc1ccco1 ZINC000096044214 463148946 /nfs/dbraw/zinc/14/89/46/463148946.db2.gz ACZIHQWPJNVGDA-UHFFFAOYSA-N 1 2 328.416 2.250 40 0 EEABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)C1CCC1)CC2)Cc1ccco1 ZINC000096044214 463148949 /nfs/dbraw/zinc/14/89/49/463148949.db2.gz ACZIHQWPJNVGDA-UHFFFAOYSA-N 1 2 328.416 2.250 40 0 EEABLO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096049112 463153373 /nfs/dbraw/zinc/15/33/73/463153373.db2.gz AYXWRBLSZPEFMI-GOSISDBHSA-N 1 2 330.384 2.380 40 0 EEABLO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096049112 463153377 /nfs/dbraw/zinc/15/33/77/463153377.db2.gz AYXWRBLSZPEFMI-GOSISDBHSA-N 1 2 330.384 2.380 40 0 EEABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@H](COCc2ccccn2)C1 ZINC000096188158 463200580 /nfs/dbraw/zinc/20/05/80/463200580.db2.gz KMBDJQQENFSZQA-INIZCTEOSA-N 1 2 340.427 2.253 40 0 EEABLO C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000079351779 463208235 /nfs/dbraw/zinc/20/82/35/463208235.db2.gz JFLYSOSYYFAMHM-JSGCOSHPSA-N 1 2 344.390 2.437 40 0 EEABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2ccc3ncccc3c2)C1 ZINC000096217427 463214914 /nfs/dbraw/zinc/21/49/14/463214914.db2.gz GPOZDKAMAWYVEH-CQSZACIVSA-N 1 2 336.395 2.350 40 0 EEABLO Cc1nnc2ccc(C(=O)NCCNc3ccc4ccccc4[nH+]3)cn12 ZINC000096436748 463265084 /nfs/dbraw/zinc/26/50/84/463265084.db2.gz IWXYRVPIHIQGHY-UHFFFAOYSA-N 1 2 346.394 2.428 40 0 EEABLO CC(C)n1nnnc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000096491329 463287162 /nfs/dbraw/zinc/28/71/62/463287162.db2.gz DVEFTNIQKDTFEB-CYBMUJFWSA-N 1 2 328.420 2.232 40 0 EEABLO Cc1ncsc1CNC(=O)N1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000096503149 463292447 /nfs/dbraw/zinc/29/24/47/463292447.db2.gz GIBQZBNHMZRZLJ-CQSZACIVSA-N 1 2 345.472 2.435 40 0 EEABLO CC(=O)N1CCN(c2[nH+]cc([C@H](O)c3ccccc3)cc2C)CC1 ZINC000072222693 463483714 /nfs/dbraw/zinc/48/37/14/463483714.db2.gz BEOSVKJQCUIFAQ-GOSISDBHSA-N 1 2 325.412 2.140 40 0 EEABLO NC(=O)[C@]1(CCCc2cnccn2)CC[N@@H+]1Cc1ccccc1F ZINC000257279467 463759779 /nfs/dbraw/zinc/75/97/79/463759779.db2.gz OGUDSGWSPYGCPG-SFHVURJKSA-N 1 2 328.391 2.068 40 0 EEABLO NC(=O)[C@]1(CCCc2cnccn2)CC[N@H+]1Cc1ccccc1F ZINC000257279467 463759786 /nfs/dbraw/zinc/75/97/86/463759786.db2.gz OGUDSGWSPYGCPG-SFHVURJKSA-N 1 2 328.391 2.068 40 0 EEABLO CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000195563111 464077476 /nfs/dbraw/zinc/07/74/76/464077476.db2.gz YVDAFHKUYLQJIN-QZTJIDSGSA-N 1 2 341.455 2.491 40 0 EEABLO O=C(O[C@H]([C@@H]1CCOC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)nc1 ZINC000195576436 464080027 /nfs/dbraw/zinc/08/00/27/464080027.db2.gz KGCJOTOBVZXVFZ-DGCLKSJQSA-N 1 2 341.289 2.392 40 0 EEABLO Brc1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)o1 ZINC000225489138 464165242 /nfs/dbraw/zinc/16/52/42/464165242.db2.gz HIDFHEBAJCOVMO-UHFFFAOYSA-N 1 2 339.193 2.281 40 0 EEABLO Brc1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)o1 ZINC000225489138 464165246 /nfs/dbraw/zinc/16/52/46/464165246.db2.gz HIDFHEBAJCOVMO-UHFFFAOYSA-N 1 2 339.193 2.281 40 0 EEABLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc[nH+]cc1CC ZINC000265320973 464517262 /nfs/dbraw/zinc/51/72/62/464517262.db2.gz SBPVHIKZTVQKIZ-HNNXBMFYSA-N 1 2 339.461 2.177 40 0 EEABLO Fc1cccnc1OC[C@@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000247488590 464684850 /nfs/dbraw/zinc/68/48/50/464684850.db2.gz ASNSTCQCUPZGSN-HNNXBMFYSA-N 1 2 332.379 2.032 40 0 EEABLO Fc1cccnc1OC[C@@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000247488590 464684854 /nfs/dbraw/zinc/68/48/54/464684854.db2.gz ASNSTCQCUPZGSN-HNNXBMFYSA-N 1 2 332.379 2.032 40 0 EEABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3COCC2CCOCC2)n1 ZINC000247878365 464712009 /nfs/dbraw/zinc/71/20/09/464712009.db2.gz QCWUVDICCDZSLE-GOSISDBHSA-N 1 2 346.471 2.424 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC000248135163 464732639 /nfs/dbraw/zinc/73/26/39/464732639.db2.gz OIHHFFSEWCAIRH-YQQAZPJKSA-N 1 2 348.472 2.073 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC000248135163 464732643 /nfs/dbraw/zinc/73/26/43/464732643.db2.gz OIHHFFSEWCAIRH-YQQAZPJKSA-N 1 2 348.472 2.073 40 0 EEABLO CN(C)c1[nH+]cccc1CNC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000190985823 464756141 /nfs/dbraw/zinc/75/61/41/464756141.db2.gz WZZYMYUUSAPHEU-GOSISDBHSA-N 1 2 334.464 2.278 40 0 EEABLO Cc1cnc(OC[C@H]2Cc3c([nH+]cn3C)CN2Cc2ccco2)nc1 ZINC000585094590 468963782 /nfs/dbraw/zinc/96/37/82/468963782.db2.gz CWMRJKGDXIMTQQ-CQSZACIVSA-N 1 2 339.399 2.117 40 0 EEABLO O=C(N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1)C1(F)CCC1 ZINC000585113546 468975789 /nfs/dbraw/zinc/97/57/89/468975789.db2.gz HYLLJIGYEBGVDA-KRWDZBQOSA-N 1 2 333.407 2.029 40 0 EEABLO Cc1ccccc1C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1O ZINC000585278364 469003720 /nfs/dbraw/zinc/00/37/20/469003720.db2.gz CSADQYSPKJUDFN-MOPGFXCFSA-N 1 2 341.455 2.424 40 0 EEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)COc2cccnc2)cc[nH+]1 ZINC000257271038 536145257 /nfs/dbraw/zinc/14/52/57/536145257.db2.gz MWOFZLMZXSFPGJ-INIZCTEOSA-N 1 2 326.400 2.285 40 0 EEABLO COc1ncccc1C(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257257556 537150233 /nfs/dbraw/zinc/15/02/33/537150233.db2.gz KQCQRBAJFDFDHH-AWEZNQCLSA-N 1 2 326.400 2.226 40 0 EEABLO COc1ccccc1C[NH2+]C1(Cc2cc(C(C)(C)O)on2)COC1 ZINC000067897920 215245702 /nfs/dbraw/zinc/24/57/02/215245702.db2.gz MTYHJRZWHLDIIJ-UHFFFAOYSA-N 1 2 332.400 2.012 40 0 biogenic,in-vitro EEABLO Cc1cc([C@H]2CN(C(=O)CCc3c[nH+]cn3C)CCO2)ccc1F ZINC000189369297 236849813 /nfs/dbraw/zinc/84/98/13/236849813.db2.gz BBQBZKLEXXUKII-QGZVFWFLSA-N 1 2 331.391 2.400 40 0 EEABLO CCn1cnnc1[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000242302380 243017618 /nfs/dbraw/zinc/01/76/18/243017618.db2.gz YSDCUAGIRHRKEJ-CQSZACIVSA-N 1 2 327.436 2.072 40 0 EEABLO CCn1cnnc1[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000242302380 243017625 /nfs/dbraw/zinc/01/76/25/243017625.db2.gz YSDCUAGIRHRKEJ-CQSZACIVSA-N 1 2 327.436 2.072 40 0 EEABLO CCc1noc(CCC(=O)N2CCC[C@H]2c2cc[nH+]c(NC)c2)n1 ZINC000257225147 244198219 /nfs/dbraw/zinc/19/82/19/244198219.db2.gz FFAXMTXXXANIDV-ZDUSSCGKSA-N 1 2 329.404 2.365 40 0 EEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@@H](c2nccc(C)n2)C1 ZINC000257243710 244250865 /nfs/dbraw/zinc/25/08/65/244250865.db2.gz IIEYECPYVXTAGY-OAHLLOKOSA-N 1 2 335.411 2.300 40 0 EEABLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000079353407 217213273 /nfs/dbraw/zinc/21/32/73/217213273.db2.gz GHSNAHWRNYQJMZ-ZDUSSCGKSA-N 1 2 345.365 2.256 40 0 EEABLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000265282722 247368798 /nfs/dbraw/zinc/36/87/98/247368798.db2.gz NJLOUYOANTVSSC-ZDUSSCGKSA-N 1 2 326.400 2.466 40 0 EEABLO O=C(c1ccoc1)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096187966 296276323 /nfs/dbraw/zinc/27/63/23/296276323.db2.gz HMJQIGKLEDAOHI-CQSZACIVSA-N 1 2 338.367 2.222 40 0 EEABLO CC(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056945623 132198241 /nfs/dbraw/zinc/19/82/41/132198241.db2.gz HYAFJDGITAZHIP-KRWDZBQOSA-N 1 2 331.391 2.418 40 0 EEABLO CC(=O)N[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCC1 ZINC000091211737 462855200 /nfs/dbraw/zinc/85/52/00/462855200.db2.gz TYUXXZIMYPNOMB-SFHVURJKSA-N 1 2 340.427 2.183 40 0 EEABLO Cc1cc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)Nc4cccnc4)CC[C@H]32)no1 ZINC000096040907 463144795 /nfs/dbraw/zinc/14/47/95/463144795.db2.gz GWUMTMTUVHGPDY-ZACQAIPSSA-N 1 2 342.399 2.139 40 0 EEABLO Cc1cc(C[N@H+]2CC[C@H]3O[C@H](C(=O)Nc4cccnc4)CC[C@H]32)no1 ZINC000096040907 463144800 /nfs/dbraw/zinc/14/48/00/463144800.db2.gz GWUMTMTUVHGPDY-ZACQAIPSSA-N 1 2 342.399 2.139 40 0 EEABLO Cn1c[nH+]c2c1[C@@H](COCC1CCOCC1)CN(C(=O)CC1CC1)C2 ZINC000096045005 463149428 /nfs/dbraw/zinc/14/94/28/463149428.db2.gz RWBSGUYKRQWSRV-MRXNPFEDSA-N 1 2 347.459 2.089 40 0 EEABLO CCOC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21 ZINC000096060311 463160295 /nfs/dbraw/zinc/16/02/95/463160295.db2.gz KRAMHZZTRRHJKY-MRXNPFEDSA-N 1 2 329.448 2.163 40 0 EEABLO CCOC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21 ZINC000096060311 463160296 /nfs/dbraw/zinc/16/02/96/463160296.db2.gz KRAMHZZTRRHJKY-MRXNPFEDSA-N 1 2 329.448 2.163 40 0 EEABLO Fc1cccnc1N1CCC[C@]2(CN(c3cccc[nH+]3)CCO2)C1 ZINC000096074788 463166859 /nfs/dbraw/zinc/16/68/59/463166859.db2.gz DQIQXAOVEPMUND-SFHVURJKSA-N 1 2 328.391 2.492 40 0 EEABLO COc1cccc(C[C@@H](C)NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000079035985 463181778 /nfs/dbraw/zinc/18/17/78/463181778.db2.gz LKEXOTZZZGOCRP-OAHLLOKOSA-N 1 2 349.475 2.036 40 0 EEABLO CCc1cnc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1 ZINC000096158992 463191367 /nfs/dbraw/zinc/19/13/67/463191367.db2.gz LSFJEKSEAPDNMF-UHFFFAOYSA-N 1 2 339.443 2.310 40 0 EEABLO Cc1nc(C)n(C[C@@H]2Cn3ccnc3C[N@H+](Cc3cccs3)C2)n1 ZINC000096188700 463200566 /nfs/dbraw/zinc/20/05/66/463200566.db2.gz MNYMMWCRQKZEAQ-HNNXBMFYSA-N 1 2 342.472 2.485 40 0 EEABLO Cc1nc(C)n(C[C@@H]2Cn3ccnc3C[N@@H+](Cc3cccs3)C2)n1 ZINC000096188700 463200569 /nfs/dbraw/zinc/20/05/69/463200569.db2.gz MNYMMWCRQKZEAQ-HNNXBMFYSA-N 1 2 342.472 2.485 40 0 EEABLO CCOCC(=O)N1CCN(Cc2csc(C)n2)c2[nH+]cccc2C1 ZINC000096198963 463204238 /nfs/dbraw/zinc/20/42/38/463204238.db2.gz KKCFCSNQKDSNNU-UHFFFAOYSA-N 1 2 346.456 2.232 40 0 EEABLO CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(C(=O)c1cscn1)C2 ZINC000096254041 463228933 /nfs/dbraw/zinc/22/89/33/463228933.db2.gz MVVSGYQYNUNDPO-UHFFFAOYSA-N 1 2 346.460 2.018 40 0 EEABLO Cc1cccc(C[N@@H+]2CCCn3cnc(CN4CCCC4=O)c3C2)n1 ZINC000096259409 463229541 /nfs/dbraw/zinc/22/95/41/463229541.db2.gz YULPIWLCPSVSKQ-UHFFFAOYSA-N 1 2 339.443 2.115 40 0 EEABLO Cc1cccc(C[N@H+]2CCCn3cnc(CN4CCCC4=O)c3C2)n1 ZINC000096259409 463229545 /nfs/dbraw/zinc/22/95/45/463229545.db2.gz YULPIWLCPSVSKQ-UHFFFAOYSA-N 1 2 339.443 2.115 40 0 EEABLO CC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@H](C)O1 ZINC000096405585 463239535 /nfs/dbraw/zinc/23/95/35/463239535.db2.gz IWVOTPQMZAMZIG-QWRGUYRKSA-N 1 2 334.342 2.154 40 0 EEABLO CNC(=O)Cc1ccc(NC(=O)NCc2[nH+]ccn2CC(C)C)cc1 ZINC000096433960 463262403 /nfs/dbraw/zinc/26/24/03/463262403.db2.gz IKRQXZCDTSHCNS-UHFFFAOYSA-N 1 2 343.431 2.149 40 0 EEABLO Cn1ccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000097095381 463321646 /nfs/dbraw/zinc/32/16/46/463321646.db2.gz JJPYLSXYIOVBPR-CQSZACIVSA-N 1 2 336.233 2.446 40 0 EEABLO Cn1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000097095381 463321649 /nfs/dbraw/zinc/32/16/49/463321649.db2.gz JJPYLSXYIOVBPR-CQSZACIVSA-N 1 2 336.233 2.446 40 0 EEABLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000097096526 463322685 /nfs/dbraw/zinc/32/26/85/463322685.db2.gz BREJMGKZZDEYOU-UHFFFAOYSA-N 1 2 330.457 2.479 40 0 EEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)COc2ccccc2Cl)[nH+]1 ZINC000257314132 463773525 /nfs/dbraw/zinc/77/35/25/463773525.db2.gz UVLWJDNEDLQYMZ-CYBMUJFWSA-N 1 2 335.791 2.350 40 0 EEABLO Cc1cc(N2CCC3(C[C@@H](Cc4cnccn4)CO3)CC2)nc[nH+]1 ZINC000257330108 463780764 /nfs/dbraw/zinc/78/07/64/463780764.db2.gz XMWHRFFTLTWJFR-OAHLLOKOSA-N 1 2 325.416 2.193 40 0 EEABLO CCCn1cc[nH+]c1CN1CCC[C@H]1c1nccc(CNC(C)=O)n1 ZINC000257341951 463785999 /nfs/dbraw/zinc/78/59/99/463785999.db2.gz ZMOBFTZMZBKKCG-INIZCTEOSA-N 1 2 342.447 2.056 40 0 EEABLO CC(C)CS(=O)(=O)CC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000195355213 464046038 /nfs/dbraw/zinc/04/60/38/464046038.db2.gz SHIJBRCBKBOLRF-UHFFFAOYSA-N 1 2 349.456 2.310 40 0 EEABLO COc1ccc(C)cc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000195406593 464050138 /nfs/dbraw/zinc/05/01/38/464050138.db2.gz ZAVKRPJJJPOVNQ-UHFFFAOYSA-N 1 2 331.397 2.130 40 0 EEABLO c1ccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)nc1 ZINC000247956523 464716398 /nfs/dbraw/zinc/71/63/98/464716398.db2.gz OMOCRJYKKWPPHW-GOSISDBHSA-N 1 2 325.412 2.427 40 0 EEABLO Cc1cc(NC(=O)N[C@@]2(CO)CCOC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000273479661 464718532 /nfs/dbraw/zinc/71/85/32/464718532.db2.gz LBNMQCCUABRIOW-KBXCAEBGSA-N 1 2 348.447 2.042 40 0 EEABLO CN(C)c1[nH+]cccc1CNC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000190985840 464756335 /nfs/dbraw/zinc/75/63/35/464756335.db2.gz WZZYMYUUSAPHEU-SFHVURJKSA-N 1 2 334.464 2.278 40 0 EEABLO CCC1(CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCC1 ZINC000177263153 464972638 /nfs/dbraw/zinc/97/26/38/464972638.db2.gz LGJQHZYAACINBA-UHFFFAOYSA-N 1 2 332.448 2.298 40 0 EEABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](Oc3ccccn3)C2)n(C)n1 ZINC000306132483 466490820 /nfs/dbraw/zinc/49/08/20/466490820.db2.gz LKQMLFBCBCNVHL-GOSISDBHSA-N 1 2 337.427 2.388 40 0 EEABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](Oc3ccccn3)C2)n(C)n1 ZINC000306132483 466490823 /nfs/dbraw/zinc/49/08/23/466490823.db2.gz LKQMLFBCBCNVHL-GOSISDBHSA-N 1 2 337.427 2.388 40 0 EEABLO Cc1n[nH]c(C)c1CCC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000575413817 468142373 /nfs/dbraw/zinc/14/23/73/468142373.db2.gz NAVJDIFKSSHJBF-UHFFFAOYSA-N 1 2 328.416 2.424 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CCc3cccc(F)c3)CC2)S1 ZINC000073117505 216352087 /nfs/dbraw/zinc/35/20/87/216352087.db2.gz SRGHFCBHEQIIHL-ZDUSSCGKSA-N 1 2 335.448 2.394 40 0 EEABLO CO[C@@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2F)CC[C@]12CCCO2 ZINC000257253723 244276257 /nfs/dbraw/zinc/27/62/57/244276257.db2.gz JZZVXJLYOWHYGU-SJLPKXTDSA-N 1 2 336.407 2.343 40 0 EEABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2F)CC[C@]12CCCO2 ZINC000257253723 244276259 /nfs/dbraw/zinc/27/62/59/244276259.db2.gz JZZVXJLYOWHYGU-SJLPKXTDSA-N 1 2 336.407 2.343 40 0 EEABLO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cn1 ZINC000079355135 217214212 /nfs/dbraw/zinc/21/42/12/217214212.db2.gz DSCDVLNKVJXZIH-INIZCTEOSA-N 1 2 339.443 2.373 40 0 EEABLO CN1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)Cc2ccccc21 ZINC000095417383 218356893 /nfs/dbraw/zinc/35/68/93/218356893.db2.gz DRECYKTZFOCQBC-UHFFFAOYSA-N 1 2 335.411 2.496 40 0 EEABLO Cc1ncsc1CNc1ccc(N2CCC[C@@H](C(N)=O)C2)[nH+]c1 ZINC000096483180 218857885 /nfs/dbraw/zinc/85/78/85/218857885.db2.gz PGVSVCADQNFIKB-GFCCVEGCSA-N 1 2 331.445 2.160 40 0 EEABLO CC(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056945624 132198295 /nfs/dbraw/zinc/19/82/95/132198295.db2.gz HYAFJDGITAZHIP-QGZVFWFLSA-N 1 2 331.391 2.418 40 0 EEABLO O=S(=O)(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000166148125 226148601 /nfs/dbraw/zinc/14/86/01/226148601.db2.gz AYBCHOQZKHUYQS-CQSZACIVSA-N 1 2 335.404 2.168 40 0 EEABLO COc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)nn1 ZINC000087256433 277877441 /nfs/dbraw/zinc/87/74/41/277877441.db2.gz PBHPQUKYAGHCBO-SJLPKXTDSA-N 1 2 349.394 2.340 40 0 EEABLO Cc1c(C[N@@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)[nH]c2ccc(F)cc12 ZINC000072379701 280225653 /nfs/dbraw/zinc/22/56/53/280225653.db2.gz PYXVJMMRZYNBKN-GOSISDBHSA-N 1 2 333.407 2.295 40 0 EEABLO Cc1c(C[N@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)[nH]c2ccc(F)cc12 ZINC000072379701 280225656 /nfs/dbraw/zinc/22/56/56/280225656.db2.gz PYXVJMMRZYNBKN-GOSISDBHSA-N 1 2 333.407 2.295 40 0 EEABLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(N2CCOCC2)ccn1 ZINC000097104148 323321252 /nfs/dbraw/zinc/32/12/52/323321252.db2.gz VNHHCOXWOPSRNA-UHFFFAOYSA-N 1 2 349.394 2.356 40 0 EEABLO CCCCn1ncc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1C ZINC000089273354 462661128 /nfs/dbraw/zinc/66/11/28/462661128.db2.gz MBAFVKAJRSBFLK-MRXNPFEDSA-N 1 2 349.479 2.320 40 0 EEABLO O=C(OC1CCN(c2ccncn2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095463450 463089693 /nfs/dbraw/zinc/08/96/93/463089693.db2.gz WLGAJWQPNFKLRR-UHFFFAOYSA-N 1 2 349.394 2.488 40 0 EEABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1Cc1ccc(F)cc1 ZINC000096062091 463161746 /nfs/dbraw/zinc/16/17/46/463161746.db2.gz AUBWJUACGFKXSO-ZDUSSCGKSA-N 1 2 326.379 2.239 40 0 EEABLO O=C(c1ccco1)N1CCO[C@@H]2CN(c3cccc[nH+]3)CC[C@@H]2C1 ZINC000096082405 463170669 /nfs/dbraw/zinc/17/06/69/463170669.db2.gz BKUVWAONNDMBQI-GDBMZVCRSA-N 1 2 327.384 2.042 40 0 EEABLO Cn1cc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)cn1 ZINC000096112188 463179433 /nfs/dbraw/zinc/17/94/33/463179433.db2.gz LBZIOTAODHRTAO-CJNGLKHVSA-N 1 2 329.379 2.036 40 0 biogenic,in-vitro EEABLO Cn1cc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)cn1 ZINC000096112188 463179440 /nfs/dbraw/zinc/17/94/40/463179440.db2.gz LBZIOTAODHRTAO-CJNGLKHVSA-N 1 2 329.379 2.036 40 0 biogenic,in-vitro EEABLO O=C([O-])[C@@]12C[N@H+](CC3CC3)C[C@@H]1C[NH+](Cc1nccs1)CCC2 ZINC000096185193 463195635 /nfs/dbraw/zinc/19/56/35/463195635.db2.gz QVSLQYIHXXILAB-YOEHRIQHSA-N 1 2 335.473 2.152 40 0 EEABLO O=C([O-])[C@@]12C[N@@H+](CC3CC3)C[C@@H]1C[NH+](Cc1nccs1)CCC2 ZINC000096185193 463195639 /nfs/dbraw/zinc/19/56/39/463195639.db2.gz QVSLQYIHXXILAB-YOEHRIQHSA-N 1 2 335.473 2.152 40 0 EEABLO O=C([O-])[C@@]12C[NH+](CC3CC3)C[C@@H]1C[N@H+](Cc1nccs1)CCC2 ZINC000096185193 463195646 /nfs/dbraw/zinc/19/56/46/463195646.db2.gz QVSLQYIHXXILAB-YOEHRIQHSA-N 1 2 335.473 2.152 40 0 EEABLO O=C([O-])[C@@]12C[NH+](CC3CC3)C[C@@H]1C[N@@H+](Cc1nccs1)CCC2 ZINC000096185193 463195649 /nfs/dbraw/zinc/19/56/49/463195649.db2.gz QVSLQYIHXXILAB-YOEHRIQHSA-N 1 2 335.473 2.152 40 0 EEABLO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@H]1c2ccccc2C[C@@H]1C ZINC000096408678 463241708 /nfs/dbraw/zinc/24/17/08/463241708.db2.gz RNKVSEUHGOLACA-MEDUHNTESA-N 1 2 337.383 2.345 40 0 EEABLO Cc1cccc2[nH+]c(CSc3nnc([C@@H]4CCCCO4)n3N)cn21 ZINC000096436687 463264905 /nfs/dbraw/zinc/26/49/05/463264905.db2.gz XTRGWHRLIZMYPY-ZDUSSCGKSA-N 1 2 344.444 2.482 40 0 EEABLO O=[S@@](CC[NH+]1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000096452013 463273143 /nfs/dbraw/zinc/27/31/43/463273143.db2.gz OMRQDQLZRWQWCJ-XMMPIXPASA-N 1 2 344.480 2.318 40 0 EEABLO Clc1cnc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc1 ZINC000096469773 463278174 /nfs/dbraw/zinc/27/81/74/463278174.db2.gz XKSHHNVKVJFNCU-HOTGVXAUSA-N 1 2 330.819 2.220 40 0 EEABLO Clc1cnc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc1 ZINC000096469773 463278179 /nfs/dbraw/zinc/27/81/79/463278179.db2.gz XKSHHNVKVJFNCU-HOTGVXAUSA-N 1 2 330.819 2.220 40 0 EEABLO CC[NH+](CC)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000138908768 463314698 /nfs/dbraw/zinc/31/46/98/463314698.db2.gz AQJRNGNTYRXNLF-ZIAGYGMSSA-N 1 2 339.486 2.186 40 0 EEABLO CN(C)c1cc(CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc[nH+]1 ZINC000097238311 463352592 /nfs/dbraw/zinc/35/25/92/463352592.db2.gz GWOXVOXXGRZDOI-SFHVURJKSA-N 1 2 342.374 2.254 40 0 EEABLO CN(C)c1cc(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc[nH+]1 ZINC000097238312 463354416 /nfs/dbraw/zinc/35/44/16/463354416.db2.gz GWOXVOXXGRZDOI-GOSISDBHSA-N 1 2 342.374 2.254 40 0 EEABLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@H](Oc3ccccc3F)[C@@H]2C1 ZINC000257281851 463759599 /nfs/dbraw/zinc/75/95/99/463759599.db2.gz ORGBLTMVTQHFIB-LZWOXQAQSA-N 1 2 329.375 2.338 40 0 EEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)[nH+]1 ZINC000257334267 463783249 /nfs/dbraw/zinc/78/32/49/463783249.db2.gz YFEYMBASJKQNHL-CYBMUJFWSA-N 1 2 326.400 2.327 40 0 EEABLO COc1cccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)c1 ZINC000224139823 464147958 /nfs/dbraw/zinc/14/79/58/464147958.db2.gz XGHQGADSVWWQRC-UHFFFAOYSA-N 1 2 330.392 2.261 40 0 EEABLO CCCCNc1cc(N2CCO[C@H](c3cnn(CC)c3)C2)nc(N)[nH+]1 ZINC000225473573 464163931 /nfs/dbraw/zinc/16/39/31/464163931.db2.gz AFQYHRARNBQGPR-AWEZNQCLSA-N 1 2 345.451 2.065 40 0 EEABLO CCCCNc1cc(N2CCO[C@H](c3cnn(CC)c3)C2)[nH+]c(N)n1 ZINC000225473573 464163934 /nfs/dbraw/zinc/16/39/34/464163934.db2.gz AFQYHRARNBQGPR-AWEZNQCLSA-N 1 2 345.451 2.065 40 0 EEABLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nccc(N)n3)ccc2NC1=O ZINC000180021642 464225515 /nfs/dbraw/zinc/22/55/15/464225515.db2.gz QPFLIRWWGASYRR-ZWNOBZJWSA-N 1 2 327.388 2.019 40 0 EEABLO Nc1[nH+]cnc(N2CCCN(C(=O)c3ccsc3)CC2)c1Cl ZINC000240321577 464445766 /nfs/dbraw/zinc/44/57/66/464445766.db2.gz FAMHDFAVHBOBCC-UHFFFAOYSA-N 1 2 337.836 2.126 40 0 EEABLO Nc1nc[nH+]c(N2CCCN(C(=O)c3ccsc3)CC2)c1Cl ZINC000240321577 464445770 /nfs/dbraw/zinc/44/57/70/464445770.db2.gz FAMHDFAVHBOBCC-UHFFFAOYSA-N 1 2 337.836 2.126 40 0 EEABLO COc1ccccc1CN1Cc2c[nH+]cn2[C@@H](CN2CCCC2=O)C1 ZINC000248143791 464734223 /nfs/dbraw/zinc/73/42/23/464734223.db2.gz RDWLORFQWWHRNH-QGZVFWFLSA-N 1 2 340.427 2.071 40 0 EEABLO C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000253413429 465003069 /nfs/dbraw/zinc/00/30/69/465003069.db2.gz ZNPPFZKGHCSLDS-BDJLRTHQSA-N 1 2 344.377 2.341 40 0 EEABLO C[N@@H+]1CCC[C@@H]1c1nc(C(=O)NC[C@@H]2CCCO2)c2ccccn21 ZINC000306123160 466486650 /nfs/dbraw/zinc/48/66/50/466486650.db2.gz AFYCQXPNYZVRCQ-DZGCQCFKSA-N 1 2 328.416 2.010 40 0 EEABLO C[N@H+]1CCC[C@@H]1c1nc(C(=O)NC[C@@H]2CCCO2)c2ccccn21 ZINC000306123160 466486655 /nfs/dbraw/zinc/48/66/55/466486655.db2.gz AFYCQXPNYZVRCQ-DZGCQCFKSA-N 1 2 328.416 2.010 40 0 EEABLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@H](n2ccnn2)CC1 ZINC000822289342 798650922 /nfs/dbraw/zinc/65/09/22/798650922.db2.gz PBEJPAFBJPGBFU-ZDUSSCGKSA-N 1 2 340.435 2.404 40 0 EEABLO C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F)n1cc[nH+]c1 ZINC000068353409 215302469 /nfs/dbraw/zinc/30/24/69/215302469.db2.gz TVZDRUCNDXLFGG-BXUZGUMPSA-N 1 2 348.403 2.123 40 0 EEABLO NC(=O)c1ccc([C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CCO2)nc1 ZINC000072388127 216188086 /nfs/dbraw/zinc/18/80/86/216188086.db2.gz JBYLAWFNDLAZTR-SFHVURJKSA-N 1 2 336.395 2.235 40 0 EEABLO NC(=O)c1ccc([C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CCO2)nc1 ZINC000072388127 216188092 /nfs/dbraw/zinc/18/80/92/216188092.db2.gz JBYLAWFNDLAZTR-SFHVURJKSA-N 1 2 336.395 2.235 40 0 EEABLO Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131257567 223217822 /nfs/dbraw/zinc/21/78/22/223217822.db2.gz ITZJDQRNJDLNOX-HNNXBMFYSA-N 1 2 327.432 2.139 40 0 EEABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 ZINC000253599113 244032278 /nfs/dbraw/zinc/03/22/78/244032278.db2.gz LBDSEYYAYAJBPH-OAHLLOKOSA-N 1 2 346.456 2.364 40 0 EEABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 ZINC000253599113 244032283 /nfs/dbraw/zinc/03/22/83/244032283.db2.gz LBDSEYYAYAJBPH-OAHLLOKOSA-N 1 2 346.456 2.364 40 0 EEABLO Cc1ccnc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257219614 244178378 /nfs/dbraw/zinc/17/83/78/244178378.db2.gz DHKYYWYPPUMNCL-KRWDZBQOSA-N 1 2 327.384 2.130 40 0 EEABLO Cc1ccnc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257219614 244178388 /nfs/dbraw/zinc/17/83/88/244178388.db2.gz DHKYYWYPPUMNCL-KRWDZBQOSA-N 1 2 327.384 2.130 40 0 EEABLO NC(=O)[C@]1(CCCc2cnccn2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000257235454 244226336 /nfs/dbraw/zinc/22/63/36/244226336.db2.gz GXXLAWDSUCLYST-SFHVURJKSA-N 1 2 328.391 2.068 40 0 EEABLO NC(=O)[C@]1(CCCc2cnccn2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000257235454 244226343 /nfs/dbraw/zinc/22/63/43/244226343.db2.gz GXXLAWDSUCLYST-SFHVURJKSA-N 1 2 328.391 2.068 40 0 EEABLO CCOCc1ccc(CNC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000079354414 217214323 /nfs/dbraw/zinc/21/43/23/217214323.db2.gz YPKHBYUNEPXSAM-ZWKOTPCHSA-N 1 2 332.444 2.093 40 0 EEABLO CCOCc1ccc(CNC(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000079354414 217214327 /nfs/dbraw/zinc/21/43/27/217214327.db2.gz YPKHBYUNEPXSAM-ZWKOTPCHSA-N 1 2 332.444 2.093 40 0 EEABLO CCOC(=O)c1n[nH]cc1C[NH+]1CCC(O)(c2ccccc2C)CC1 ZINC000012116818 211296692 /nfs/dbraw/zinc/29/66/92/211296692.db2.gz YVWLEFRNSPJKOR-UHFFFAOYSA-N 1 2 343.427 2.378 40 0 EEABLO CC1(C)[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@H]2CCO[C@@H]21 ZINC000095400961 218335784 /nfs/dbraw/zinc/33/57/84/218335784.db2.gz JOHQNPYPGGMGAZ-JLLWLGSASA-N 1 2 346.353 2.058 40 0 EEABLO COc1ccccc1O[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000286574910 274885890 /nfs/dbraw/zinc/88/58/90/274885890.db2.gz QQISPTBFJAYJMO-ZDUSSCGKSA-N 1 2 339.399 2.420 40 0 EEABLO CCc1cc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3OC)C2)no1 ZINC000257220847 281376998 /nfs/dbraw/zinc/37/69/98/281376998.db2.gz DMLCYRDTJATAEL-MRXNPFEDSA-N 1 2 329.400 2.375 40 0 EEABLO CCc1cc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3OC)C2)no1 ZINC000257220847 281377001 /nfs/dbraw/zinc/37/70/01/281377001.db2.gz DMLCYRDTJATAEL-MRXNPFEDSA-N 1 2 329.400 2.375 40 0 EEABLO O=C1NC[C@@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)CCN12 ZINC000097230931 323321515 /nfs/dbraw/zinc/32/15/15/323321515.db2.gz KGQMXMRINFBZRG-CYBMUJFWSA-N 1 2 334.851 2.150 40 0 EEABLO O=C1NC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)CCN12 ZINC000097230931 323321519 /nfs/dbraw/zinc/32/15/19/323321519.db2.gz KGQMXMRINFBZRG-CYBMUJFWSA-N 1 2 334.851 2.150 40 0 EEABLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000252489121 464964538 /nfs/dbraw/zinc/96/45/38/464964538.db2.gz JFYVULMACNBTJP-CQSZACIVSA-N 1 2 325.416 2.473 40 0 EEABLO Cn1cccc1C(=O)N1CCN(Cc2ccncc2)c2[nH+]cccc2C1 ZINC000096198973 463204751 /nfs/dbraw/zinc/20/47/51/463204751.db2.gz PFQULHLKPJEKGL-UHFFFAOYSA-N 1 2 347.422 2.478 40 0 EEABLO Cc1ccc(C(=O)N2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)o1 ZINC000096202272 463207554 /nfs/dbraw/zinc/20/75/54/463207554.db2.gz BFNMLAXDCUVTTM-LJQANCHMSA-N 1 2 341.411 2.352 40 0 EEABLO Cc1nnc(N2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)s1 ZINC000096219208 463216280 /nfs/dbraw/zinc/21/62/80/463216280.db2.gz RTYBOWMTVWINDL-CZUORRHYSA-N 1 2 331.445 2.482 40 0 EEABLO c1ccc(C[N@@H+]2CCCn3nnc(COc4ccccn4)c3C2)nc1 ZINC000096258996 463230198 /nfs/dbraw/zinc/23/01/98/463230198.db2.gz XHCPIPIMANTXBD-UHFFFAOYSA-N 1 2 336.399 2.053 40 0 EEABLO c1ccc(C[N@H+]2CCCn3nnc(COc4ccccn4)c3C2)nc1 ZINC000096258996 463230203 /nfs/dbraw/zinc/23/02/03/463230203.db2.gz XHCPIPIMANTXBD-UHFFFAOYSA-N 1 2 336.399 2.053 40 0 EEABLO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@@H]1c2ccccc2C[C@@H]1C ZINC000096408680 463241177 /nfs/dbraw/zinc/24/11/77/463241177.db2.gz RNKVSEUHGOLACA-ZBEGNZNMSA-N 1 2 337.383 2.345 40 0 EEABLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1[nH+]ccn1C ZINC000096426404 463255583 /nfs/dbraw/zinc/25/55/83/463255583.db2.gz UKRBPRZGLIERMU-SNVBAGLBSA-N 1 2 338.205 2.266 40 0 EEABLO Cc1cc(=O)c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c[nH]1 ZINC000096427113 463257112 /nfs/dbraw/zinc/25/71/12/463257112.db2.gz ZZXITNNEEYEAOQ-UHFFFAOYSA-N 1 2 343.402 2.171 40 0 EEABLO Cc1cc(=O)c(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c[nH]1 ZINC000096427113 463257116 /nfs/dbraw/zinc/25/71/16/463257116.db2.gz ZZXITNNEEYEAOQ-UHFFFAOYSA-N 1 2 343.402 2.171 40 0 EEABLO O=C(c1cnsn1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096490115 463286591 /nfs/dbraw/zinc/28/65/91/463286591.db2.gz DNLZQQSTGHPVLS-UHFFFAOYSA-N 1 2 339.424 2.176 40 0 EEABLO COC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@H](C)O1 ZINC000097372996 463354987 /nfs/dbraw/zinc/35/49/87/463354987.db2.gz RKWHIWUDZWMJOQ-CJNGLKHVSA-N 1 2 335.448 2.230 40 0 EEABLO COC(=O)[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@H](C)O1 ZINC000097372996 463354991 /nfs/dbraw/zinc/35/49/91/463354991.db2.gz RKWHIWUDZWMJOQ-CJNGLKHVSA-N 1 2 335.448 2.230 40 0 EEABLO Cc1c(CCC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)cnn1C ZINC000257278445 463757341 /nfs/dbraw/zinc/75/73/41/463757341.db2.gz OCHVSJHOVMIJNJ-KRWDZBQOSA-N 1 2 341.459 2.486 40 0 EEABLO CO[C@H]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@@]12CCCO2 ZINC000257299873 463769091 /nfs/dbraw/zinc/76/90/91/463769091.db2.gz RSAJZAVHOYXDLD-HKUYNNGSSA-N 1 2 343.427 2.141 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)CC[N@@H+]1C ZINC000257318533 463776056 /nfs/dbraw/zinc/77/60/56/463776056.db2.gz VOHSCYYJLBKWIE-HNNXBMFYSA-N 1 2 348.834 2.060 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)CC[N@H+]1C ZINC000257318533 463776064 /nfs/dbraw/zinc/77/60/64/463776064.db2.gz VOHSCYYJLBKWIE-HNNXBMFYSA-N 1 2 348.834 2.060 40 0 EEABLO CCc1cc(C(=O)N2CC[N@H+](C)[C@H](c3ccc(OC)cc3)C2)no1 ZINC000257336137 463782429 /nfs/dbraw/zinc/78/24/29/463782429.db2.gz YNJBFBCSPRMOQZ-KRWDZBQOSA-N 1 2 329.400 2.375 40 0 EEABLO CCc1cc(C(=O)N2CC[N@@H+](C)[C@H](c3ccc(OC)cc3)C2)no1 ZINC000257336137 463782432 /nfs/dbraw/zinc/78/24/32/463782432.db2.gz YNJBFBCSPRMOQZ-KRWDZBQOSA-N 1 2 329.400 2.375 40 0 EEABLO C[C@@H](C1CC1)N(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C1CC1 ZINC000195531967 464072898 /nfs/dbraw/zinc/07/28/98/464072898.db2.gz QIEZIDGALPQIIR-AWEZNQCLSA-N 1 2 344.459 2.391 40 0 EEABLO c1cncc(C[NH+]2CC3(C2)OCC[C@H]3COCc2ccncc2)c1 ZINC000247909330 464714050 /nfs/dbraw/zinc/71/40/50/464714050.db2.gz XYLJWVNGFZAAQL-SFHVURJKSA-N 1 2 325.412 2.284 40 0 EEABLO CC[C@H](C(=O)N1CCCC[C@@H]1c1ncc[nH]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000252493723 464967559 /nfs/dbraw/zinc/96/75/59/464967559.db2.gz NFLMZBXGTURPAT-BZUAXINKSA-N 1 2 334.464 2.353 40 0 EEABLO CC[C@H](C(=O)N1CCCC[C@@H]1c1ncc[nH]1)[N@H+]1CCO[C@H](CC)C1 ZINC000252493723 464967565 /nfs/dbraw/zinc/96/75/65/464967565.db2.gz NFLMZBXGTURPAT-BZUAXINKSA-N 1 2 334.464 2.353 40 0 EEABLO C[N@@H+]1CCC[C@@H]1c1nc(C(=O)NCCc2cccnc2)c2ccccn21 ZINC000306144335 466494414 /nfs/dbraw/zinc/49/44/14/466494414.db2.gz ZCTXFINXTJXGMX-QGZVFWFLSA-N 1 2 349.438 2.469 40 0 EEABLO C[N@H+]1CCC[C@@H]1c1nc(C(=O)NCCc2cccnc2)c2ccccn21 ZINC000306144335 466494419 /nfs/dbraw/zinc/49/44/19/466494419.db2.gz ZCTXFINXTJXGMX-QGZVFWFLSA-N 1 2 349.438 2.469 40 0 EEABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2COc2ccccn2)no1 ZINC000585094715 468963249 /nfs/dbraw/zinc/96/32/49/468963249.db2.gz ITCGJOSMILEXMV-HNNXBMFYSA-N 1 2 339.399 2.117 40 0 EEABLO O=C(c1csnn1)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111249 468975275 /nfs/dbraw/zinc/97/52/75/468975275.db2.gz LCBIXQSRLCTEBX-UHFFFAOYSA-N 1 2 325.397 2.100 40 0 EEABLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nccc(N)n3)ccc2NC1=O ZINC000180021655 529474649 /nfs/dbraw/zinc/47/46/49/529474649.db2.gz QPFLIRWWGASYRR-MFKMUULPSA-N 1 2 327.388 2.019 40 0 EEABLO Cc1oc(-c2ccccc2)nc1C(=O)NCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040047523 213253916 /nfs/dbraw/zinc/25/39/16/213253916.db2.gz ZRXVDOYCFIHLOY-OKILXGFUSA-N 1 2 343.427 2.489 40 0 EEABLO Cc1oc(-c2ccccc2)nc1C(=O)NCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040047523 213253918 /nfs/dbraw/zinc/25/39/18/213253918.db2.gz ZRXVDOYCFIHLOY-OKILXGFUSA-N 1 2 343.427 2.489 40 0 EEABLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000195578531 241024778 /nfs/dbraw/zinc/02/47/78/241024778.db2.gz ZEMHSSLLOUBLLF-CYBMUJFWSA-N 1 2 342.418 2.163 40 0 EEABLO Cc1nccc([C@@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000257251352 244270949 /nfs/dbraw/zinc/27/09/49/244270949.db2.gz JQJXVLWUPIZQNB-MRXNPFEDSA-N 1 2 348.410 2.386 40 0 EEABLO Cn1c[nH+]c(CNC(=O)C2(Cc3ccccc3F)CCOCC2)c1 ZINC000257266323 244362142 /nfs/dbraw/zinc/36/21/42/244362142.db2.gz MCMZTRMFRBSNFP-UHFFFAOYSA-N 1 2 331.391 2.215 40 0 EEABLO CC(=O)N1CCc2nnc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2CC1 ZINC000019710743 212057116 /nfs/dbraw/zinc/05/71/16/212057116.db2.gz RZNVJJVUWULSCL-QGZVFWFLSA-N 1 2 339.443 2.020 40 0 EEABLO CC(=O)N1CCc2nnc([C@H]3CCC[N@H+]3Cc3ccccc3)n2CC1 ZINC000019710743 212057118 /nfs/dbraw/zinc/05/71/18/212057118.db2.gz RZNVJJVUWULSCL-QGZVFWFLSA-N 1 2 339.443 2.020 40 0 EEABLO COc1cccc(C[N@@H+]2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c1 ZINC000019565467 212043737 /nfs/dbraw/zinc/04/37/37/212043737.db2.gz MTNQZADIIKHAIJ-UHFFFAOYSA-N 1 2 348.406 2.399 40 0 EEABLO COc1cccc(C[N@H+]2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c1 ZINC000019565467 212043739 /nfs/dbraw/zinc/04/37/39/212043739.db2.gz MTNQZADIIKHAIJ-UHFFFAOYSA-N 1 2 348.406 2.399 40 0 EEABLO Cc1[nH+]c(C2CCN(C(=O)CCn3cncn3)CC2)c2sccn12 ZINC000019240810 212008559 /nfs/dbraw/zinc/00/85/59/212008559.db2.gz FUJFSYSDCSDVQL-UHFFFAOYSA-N 1 2 344.444 2.092 40 0 EEABLO C[C@@H](c1ccccc1F)[NH+]1CCN(C(=O)CCCn2cncn2)CC1 ZINC000079049911 217181579 /nfs/dbraw/zinc/18/15/79/217181579.db2.gz SFHIHMHBQUFKBQ-HNNXBMFYSA-N 1 2 345.422 2.103 40 0 EEABLO O=C(c1cccnc1)N1Cc2ccccc2OC[C@H]1Cn1cc[nH+]c1 ZINC000012128211 284717271 /nfs/dbraw/zinc/71/72/71/284717271.db2.gz JVYZFYGURHMJGI-QGZVFWFLSA-N 1 2 334.379 2.382 40 0 EEABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@@H+]2Cc2ccncc2)cc1 ZINC000257333984 286363413 /nfs/dbraw/zinc/36/34/13/286363413.db2.gz YEAHKMGQQAYCHS-IBGZPJMESA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@H+]2Cc2ccncc2)cc1 ZINC000257333984 286363418 /nfs/dbraw/zinc/36/34/18/286363418.db2.gz YEAHKMGQQAYCHS-IBGZPJMESA-N 1 2 325.412 2.496 40 0 EEABLO COC(=O)c1ccc([C@@H](C)N2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000089267642 462660980 /nfs/dbraw/zinc/66/09/80/462660980.db2.gz XOPYIKRKJUVNRX-CQSZACIVSA-N 1 2 329.400 2.340 40 0 EEABLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(Cc3ccncc3)CC2)o1 ZINC000089267642 462660984 /nfs/dbraw/zinc/66/09/84/462660984.db2.gz XOPYIKRKJUVNRX-CQSZACIVSA-N 1 2 329.400 2.340 40 0 EEABLO C[C@H]1CCCCN1C(=O)CN1c2ccccc2C2=[NH+]CCN2C1=O ZINC000012182977 462847353 /nfs/dbraw/zinc/84/73/53/462847353.db2.gz RQDKZCUYIUSPAK-ZDUSSCGKSA-N 1 2 326.400 2.090 40 0 EEABLO Cc1ccc(NC2CCN(C(=O)[C@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000095395274 463074709 /nfs/dbraw/zinc/07/47/09/463074709.db2.gz USFBWQMFGFEJPY-KRWDZBQOSA-N 1 2 344.503 2.034 40 0 EEABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccccn1 ZINC000096041896 463146668 /nfs/dbraw/zinc/14/66/68/463146668.db2.gz KCJUVYIWXQDBIG-GVDBMIGSSA-N 1 2 329.375 2.427 40 0 EEABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccccn1 ZINC000096041896 463146674 /nfs/dbraw/zinc/14/66/74/463146674.db2.gz KCJUVYIWXQDBIG-GVDBMIGSSA-N 1 2 329.375 2.427 40 0 EEABLO c1snnc1C[N@@H+]1CCCC2(CCN(c3cnccn3)CC2)C1 ZINC000096071891 463165501 /nfs/dbraw/zinc/16/55/01/463165501.db2.gz VVZJXPNXCRTHLY-UHFFFAOYSA-N 1 2 330.461 2.211 40 0 EEABLO c1snnc1C[N@H+]1CCCC2(CCN(c3cnccn3)CC2)C1 ZINC000096071891 463165505 /nfs/dbraw/zinc/16/55/05/463165505.db2.gz VVZJXPNXCRTHLY-UHFFFAOYSA-N 1 2 330.461 2.211 40 0 EEABLO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)no1 ZINC000096108081 463176080 /nfs/dbraw/zinc/17/60/80/463176080.db2.gz PKSGCTGSAMKGGU-GDBMZVCRSA-N 1 2 347.440 2.018 40 0 EEABLO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)no1 ZINC000096108081 463176086 /nfs/dbraw/zinc/17/60/86/463176086.db2.gz PKSGCTGSAMKGGU-GDBMZVCRSA-N 1 2 347.440 2.018 40 0 EEABLO Cn1cc[nH+]c1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC000096250079 463227296 /nfs/dbraw/zinc/22/72/96/463227296.db2.gz PPKNSRQIXOFBHT-JKIFEVAISA-N 1 2 348.472 2.073 40 0 EEABLO COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000109029800 463631340 /nfs/dbraw/zinc/63/13/40/463631340.db2.gz CJWCFCJZCQSCLW-RRQGHBQHSA-N 1 2 346.427 2.440 40 0 EEABLO COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000109029800 463631342 /nfs/dbraw/zinc/63/13/42/463631342.db2.gz CJWCFCJZCQSCLW-RRQGHBQHSA-N 1 2 346.427 2.440 40 0 EEABLO O=C(CCCn1cc[nH+]c1)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257283643 463761514 /nfs/dbraw/zinc/76/15/14/463761514.db2.gz OZESUINGVXILAO-HNNXBMFYSA-N 1 2 329.404 2.011 40 0 EEABLO COc1cccc([C@@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2ccnnc2)c1 ZINC000257282956 463761606 /nfs/dbraw/zinc/76/16/06/463761606.db2.gz OWATZLSGXSLYQJ-KRWDZBQOSA-N 1 2 349.394 2.387 40 0 EEABLO COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1ccnnc1 ZINC000257302898 463769109 /nfs/dbraw/zinc/76/91/09/463769109.db2.gz SEWPSRGFDIBSRM-MRXNPFEDSA-N 1 2 349.394 2.387 40 0 EEABLO CCc1noc(CCC(=O)N2CCC[C@@H](c3cc[nH+]c(NC)c3)C2)n1 ZINC000257343771 463787600 /nfs/dbraw/zinc/78/76/00/463787600.db2.gz ZUIQGTTVDMVSHQ-CQSZACIVSA-N 1 2 343.431 2.408 40 0 EEABLO O=C(Nc1ccncn1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000194178217 463809798 /nfs/dbraw/zinc/80/97/98/463809798.db2.gz MYYUVECUMNXZEM-UHFFFAOYSA-N 1 2 331.807 2.480 40 0 EEABLO COC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCCC1 ZINC000225625890 464176351 /nfs/dbraw/zinc/17/63/51/464176351.db2.gz KRATYRNAFGQGPR-UHFFFAOYSA-N 1 2 348.443 2.295 40 0 EEABLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccc[nH]3)CC2)c1C ZINC000190585178 464681772 /nfs/dbraw/zinc/68/17/72/464681772.db2.gz PHOKQNBGFAIBET-UHFFFAOYSA-N 1 2 326.444 2.388 40 0 EEABLO Fc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)cc1 ZINC000247518835 464689062 /nfs/dbraw/zinc/68/90/62/464689062.db2.gz KTWLCLQODIDAHZ-INIZCTEOSA-N 1 2 329.375 2.428 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)o1 ZINC000248110997 464731189 /nfs/dbraw/zinc/73/11/89/464731189.db2.gz QTCAWISYBFNHTK-BRWVUGGUSA-N 1 2 327.384 2.211 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)o1 ZINC000248110997 464731194 /nfs/dbraw/zinc/73/11/94/464731194.db2.gz QTCAWISYBFNHTK-BRWVUGGUSA-N 1 2 327.384 2.211 40 0 EEABLO Cn1cc(C[NH+]2CC3(C2)C[C@H](CCOc2ccccn2)CCO3)cn1 ZINC000248130458 464731968 /nfs/dbraw/zinc/73/19/68/464731968.db2.gz MYFXKCPSFNXKGH-MRXNPFEDSA-N 1 2 342.443 2.265 40 0 EEABLO Cn1cc[nH+]c1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC000248138975 464733794 /nfs/dbraw/zinc/73/37/94/464733794.db2.gz PPKNSRQIXOFBHT-CKEIUWERSA-N 1 2 348.472 2.073 40 0 EEABLO Cc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1C(N)=O ZINC000252480127 464960185 /nfs/dbraw/zinc/96/01/85/464960185.db2.gz BWGPIZAPFXVRRO-UHFFFAOYSA-N 1 2 325.359 2.010 40 0 EEABLO CN(C)c1[nH+]cccc1CNC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000253419807 465008010 /nfs/dbraw/zinc/00/80/10/465008010.db2.gz JAQLUWHKMDGQLF-INIZCTEOSA-N 1 2 342.447 2.318 40 0 EEABLO CO[C@@H]1C[N@H+](Cc2cn[nH]c2C)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585290969 469012110 /nfs/dbraw/zinc/01/21/10/469012110.db2.gz JMSHDIKDEYFVDY-QXAKKESOSA-N 1 2 327.428 2.492 40 0 EEABLO CO[C@@H]1C[N@@H+](Cc2cn[nH]c2C)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585290969 469012114 /nfs/dbraw/zinc/01/21/14/469012114.db2.gz JMSHDIKDEYFVDY-QXAKKESOSA-N 1 2 327.428 2.492 40 0 EEABLO CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc[nH+]1 ZINC000257268751 536144776 /nfs/dbraw/zinc/14/47/76/536144776.db2.gz MMZZAUFFAVZLLS-OAHLLOKOSA-N 1 2 346.456 2.111 40 0 EEABLO COc1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ncn1 ZINC000184025386 235288253 /nfs/dbraw/zinc/28/82/53/235288253.db2.gz VTUUDBQKVPFRCV-GFCCVEGCSA-N 1 2 347.444 2.457 40 0 EEABLO NC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072361819 216169178 /nfs/dbraw/zinc/16/91/78/216169178.db2.gz ILMNLMFRXXXLQR-LBPRGKRZSA-N 1 2 330.363 2.073 40 0 EEABLO NC(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072361819 216169183 /nfs/dbraw/zinc/16/91/83/216169183.db2.gz ILMNLMFRXXXLQR-LBPRGKRZSA-N 1 2 330.363 2.073 40 0 EEABLO NC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072361818 216168657 /nfs/dbraw/zinc/16/86/57/216168657.db2.gz ILMNLMFRXXXLQR-GFCCVEGCSA-N 1 2 330.363 2.073 40 0 EEABLO NC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072361818 216168660 /nfs/dbraw/zinc/16/86/60/216168660.db2.gz ILMNLMFRXXXLQR-GFCCVEGCSA-N 1 2 330.363 2.073 40 0 EEABLO Cc1ccc2c(C[NH+]3CCN(Cc4ccon4)CC3)cc(=O)oc2c1 ZINC000072723115 216299925 /nfs/dbraw/zinc/29/99/25/216299925.db2.gz IMSIPYDXIMZUOR-UHFFFAOYSA-N 1 2 339.395 2.407 40 0 EEABLO Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000195574220 241020139 /nfs/dbraw/zinc/02/01/39/241020139.db2.gz DPUCRYONHWLMKA-OAHLLOKOSA-N 1 2 326.400 2.130 40 0 EEABLO Nc1c(NCc2ccccc2-n2cc[nH+]c2)ncnc1-n1cccn1 ZINC000195575638 241023196 /nfs/dbraw/zinc/02/31/96/241023196.db2.gz GHPXXPOIVTVVFC-UHFFFAOYSA-N 1 2 332.371 2.042 40 0 EEABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@@H](CN2CCCC2=O)C1 ZINC000253598675 244030837 /nfs/dbraw/zinc/03/08/37/244030837.db2.gz FVWOMCXGOOGIOB-OAHLLOKOSA-N 1 2 330.457 2.432 40 0 EEABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@@H](CN2CCCC2=O)C1 ZINC000253598675 244030843 /nfs/dbraw/zinc/03/08/43/244030843.db2.gz FVWOMCXGOOGIOB-OAHLLOKOSA-N 1 2 330.457 2.432 40 0 EEABLO c1ncc(C[N@@H+]2CCC[C@H](c3nccnc3Nc3cnccn3)C2)[nH]1 ZINC000257200581 244118042 /nfs/dbraw/zinc/11/80/42/244118042.db2.gz ADWIPJFQDXIMTO-ZDUSSCGKSA-N 1 2 336.403 2.113 40 0 EEABLO c1ncc(C[N@H+]2CCC[C@H](c3nccnc3Nc3cnccn3)C2)[nH]1 ZINC000257200581 244118047 /nfs/dbraw/zinc/11/80/47/244118047.db2.gz ADWIPJFQDXIMTO-ZDUSSCGKSA-N 1 2 336.403 2.113 40 0 EEABLO CNc1nccnc1[C@H]1C[N@H+](CCCOc2ccccc2F)CCO1 ZINC000257200793 244118592 /nfs/dbraw/zinc/11/85/92/244118592.db2.gz AEXNZUSQBKGEDO-MRXNPFEDSA-N 1 2 346.406 2.500 40 0 EEABLO CNc1nccnc1[C@H]1C[N@@H+](CCCOc2ccccc2F)CCO1 ZINC000257200793 244118599 /nfs/dbraw/zinc/11/85/99/244118599.db2.gz AEXNZUSQBKGEDO-MRXNPFEDSA-N 1 2 346.406 2.500 40 0 EEABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)C1CCC(F)(F)CC1 ZINC000257212685 244156450 /nfs/dbraw/zinc/15/64/50/244156450.db2.gz CENJURFKHHKJRH-MGPQQGTHSA-N 1 2 327.375 2.279 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)[nH+]1 ZINC000257273926 244384966 /nfs/dbraw/zinc/38/49/66/244384966.db2.gz NIUHPOGSBWJZOD-ZDUSSCGKSA-N 1 2 337.379 2.465 40 0 EEABLO O=C(c1cc2c(s1)CCC2)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257274964 244389617 /nfs/dbraw/zinc/38/96/17/244389617.db2.gz NNKQUUGYYFLEKD-KBPBESRZSA-N 1 2 331.441 2.272 40 0 EEABLO COc1ccsc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078556969 217076955 /nfs/dbraw/zinc/07/69/55/217076955.db2.gz DINPWDARGVZQCC-TXEJJXNPSA-N 1 2 326.462 2.374 40 0 EEABLO COc1ccsc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078556969 217076958 /nfs/dbraw/zinc/07/69/58/217076958.db2.gz DINPWDARGVZQCC-TXEJJXNPSA-N 1 2 326.462 2.374 40 0 EEABLO O=c1[nH]c(N2CCCC2)nc2c1C[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000012183053 211312352 /nfs/dbraw/zinc/31/23/52/211312352.db2.gz SIAFVZBTVUPSOD-UHFFFAOYSA-N 1 2 346.381 2.207 40 0 EEABLO O=c1[nH]c(N2CCCC2)nc2c1C[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000012183053 211312356 /nfs/dbraw/zinc/31/23/56/211312356.db2.gz SIAFVZBTVUPSOD-UHFFFAOYSA-N 1 2 346.381 2.207 40 0 EEABLO CN(Cc1nnc(C(=O)Nc2ccccc2)s1)Cc1[nH+]ccn1C ZINC000097236117 219002172 /nfs/dbraw/zinc/00/21/72/219002172.db2.gz WKWVMYGDKGIOEI-UHFFFAOYSA-N 1 2 342.428 2.156 40 0 EEABLO COc1cccc(CC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000131233233 533447049 /nfs/dbraw/zinc/44/70/49/533447049.db2.gz RGPRCHMLSQCJNG-INIZCTEOSA-N 1 2 325.412 2.418 40 0 EEABLO Cn1cc[nH+]c1CN1CCOC[C@@H]1c1nnc(-c2cccs2)o1 ZINC000285733446 274783119 /nfs/dbraw/zinc/78/31/19/274783119.db2.gz VIINJLWLFFNUKH-LLVKDONJSA-N 1 2 331.401 2.105 40 0 EEABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ccncn2)cc1 ZINC000257322485 277929424 /nfs/dbraw/zinc/92/94/24/277929424.db2.gz WGDRVLFDKWTDDS-INIZCTEOSA-N 1 2 335.367 2.079 40 0 EEABLO CCOC(=O)c1ccc(S(=O)(=O)N(CC)c2cc[nH+]cc2)cc1 ZINC000152646060 462562711 /nfs/dbraw/zinc/56/27/11/462562711.db2.gz FUBIYOYSWOIKBM-UHFFFAOYSA-N 1 2 334.397 2.474 40 0 EEABLO O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000088777614 462646437 /nfs/dbraw/zinc/64/64/37/462646437.db2.gz IILLRYSLCAHELN-SNVBAGLBSA-N 1 2 327.356 2.256 40 0 EEABLO Cc1cccn2cc(CCNC(=O)N3CCOC[C@H]3C3CC3)[nH+]c12 ZINC000089903861 462738682 /nfs/dbraw/zinc/73/86/82/462738682.db2.gz CQLVURPAADGTIR-INIZCTEOSA-N 1 2 328.416 2.006 40 0 EEABLO COc1ccc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)cn1 ZINC000077266545 462961110 /nfs/dbraw/zinc/96/11/10/462961110.db2.gz FWZBJHQIKQDXGU-QGZVFWFLSA-N 1 2 338.411 2.217 40 0 biogenic,in-vitro EEABLO COc1ccc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)cn1 ZINC000077266545 462961114 /nfs/dbraw/zinc/96/11/14/462961114.db2.gz FWZBJHQIKQDXGU-QGZVFWFLSA-N 1 2 338.411 2.217 40 0 biogenic,in-vitro EEABLO CCOc1cc([C@@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)ccc1OC ZINC000095534357 463107477 /nfs/dbraw/zinc/10/74/77/463107477.db2.gz HZBOCWAWNKSXTC-OAHLLOKOSA-N 1 2 325.372 2.322 40 0 EEABLO CCOc1cc([C@@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)ccc1OC ZINC000095534357 463107481 /nfs/dbraw/zinc/10/74/81/463107481.db2.gz HZBOCWAWNKSXTC-OAHLLOKOSA-N 1 2 325.372 2.322 40 0 EEABLO Cc1ccc(N2C[C@@H](Nc3cccc[nH+]3)[C@H]3OCCC[C@H]3C2)nn1 ZINC000096040688 463145610 /nfs/dbraw/zinc/14/56/10/463145610.db2.gz FUPVRGRKHLQRSF-DAYGRLMNSA-N 1 2 325.416 2.276 40 0 EEABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccsc2)CCO3)o1 ZINC000096049191 463153713 /nfs/dbraw/zinc/15/37/13/463153713.db2.gz DQTWMSYNJGGWIE-INIZCTEOSA-N 1 2 334.445 2.311 40 0 EEABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccsc2)CCO3)o1 ZINC000096049191 463153716 /nfs/dbraw/zinc/15/37/16/463153716.db2.gz DQTWMSYNJGGWIE-INIZCTEOSA-N 1 2 334.445 2.311 40 0 EEABLO CCn1cc2c(n1)C[N@@H+](Cc1cnn(C)c1)C[C@H]2COCC1CC1 ZINC000096060423 463159278 /nfs/dbraw/zinc/15/92/78/463159278.db2.gz WIUAJLOMIQFNHS-INIZCTEOSA-N 1 2 329.448 2.163 40 0 EEABLO CCn1cc2c(n1)C[N@H+](Cc1cnn(C)c1)C[C@H]2COCC1CC1 ZINC000096060423 463159281 /nfs/dbraw/zinc/15/92/81/463159281.db2.gz WIUAJLOMIQFNHS-INIZCTEOSA-N 1 2 329.448 2.163 40 0 EEABLO O=C(c1cscn1)N1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096197510 463202598 /nfs/dbraw/zinc/20/25/98/463202598.db2.gz HUUUUCUVHTTWFY-UHFFFAOYSA-N 1 2 340.412 2.003 40 0 EEABLO COc1ccc(-c2nc(CNC(=O)CCCn3cc[nH+]c3)no2)cc1 ZINC000096421703 463252738 /nfs/dbraw/zinc/25/27/38/463252738.db2.gz XGOBCIIUCZCYGB-UHFFFAOYSA-N 1 2 341.371 2.038 40 0 EEABLO Cc1nc(NCc2ccccc2S(=O)(=O)NC(C)(C)C)cc[nH+]1 ZINC000096429264 463259408 /nfs/dbraw/zinc/25/94/08/463259408.db2.gz PSJPPFINKFXOLE-UHFFFAOYSA-N 1 2 334.445 2.474 40 0 EEABLO CSCc1cc(C(=O)N(C)CC[NH+]2CCOCC2)ccc1F ZINC000096445262 463269929 /nfs/dbraw/zinc/26/99/29/463269929.db2.gz SOWJSCWTVOUKES-UHFFFAOYSA-N 1 2 326.437 2.093 40 0 EEABLO CNC(=O)[C@@H](NC(=O)Cn1cc[nH+]c1-c1ccccc1)c1ccccc1 ZINC000096494599 463289435 /nfs/dbraw/zinc/28/94/35/463289435.db2.gz MOXKOZDFHHGPPB-SFHVURJKSA-N 1 2 348.406 2.154 40 0 EEABLO Cc1nc(N(C)C)sc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000097376919 463357159 /nfs/dbraw/zinc/35/71/59/463357159.db2.gz VEXSAQQVVXKAII-UHFFFAOYSA-N 1 2 331.489 2.230 40 0 EEABLO Cc1cc2[nH+]cn(C[C@@H](O)CSc3cccc[n+]3[O-])c2cc1C ZINC000071948360 463476790 /nfs/dbraw/zinc/47/67/90/463476790.db2.gz RVIUNPPRFCBHCD-CQSZACIVSA-N 1 2 329.425 2.440 40 0 EEABLO CCOc1ccc(CN2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)cc1CO ZINC000257332056 463781484 /nfs/dbraw/zinc/78/14/84/463781484.db2.gz XVNRBMBFQIWCIK-MRXNPFEDSA-N 1 2 331.416 2.183 40 0 EEABLO CC(=O)NCc1ccnc([C@H]2CCC[N@H+]2Cc2ccnn2C(C)C)n1 ZINC000257339744 463786272 /nfs/dbraw/zinc/78/62/72/463786272.db2.gz ZDADADVUKUTWNX-QGZVFWFLSA-N 1 2 342.447 2.227 40 0 EEABLO CC(=O)NCc1ccnc([C@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)n1 ZINC000257339744 463786277 /nfs/dbraw/zinc/78/62/77/463786277.db2.gz ZDADADVUKUTWNX-QGZVFWFLSA-N 1 2 342.447 2.227 40 0 EEABLO Cn1cc[nH+]c1CN1CCN(Cc2ccc(Br)o2)CC1 ZINC000225394616 464156943 /nfs/dbraw/zinc/15/69/43/464156943.db2.gz FNUVWIJJSPYDCI-UHFFFAOYSA-N 1 2 339.237 2.093 40 0 EEABLO Nc1[nH+]cnc(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1Cl ZINC000225481368 464164134 /nfs/dbraw/zinc/16/41/34/464164134.db2.gz PAVRCBPOJCGOJL-ZDUSSCGKSA-N 1 2 345.834 2.358 40 0 EEABLO Nc1nc[nH+]c(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1Cl ZINC000225481368 464164137 /nfs/dbraw/zinc/16/41/37/464164137.db2.gz PAVRCBPOJCGOJL-ZDUSSCGKSA-N 1 2 345.834 2.358 40 0 EEABLO Fc1ccc([C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2ncc[nH]2)cc1 ZINC000188376373 464266721 /nfs/dbraw/zinc/26/67/21/464266721.db2.gz ANDUSRWMLULYOX-HOTGVXAUSA-N 1 2 347.390 2.150 40 0 EEABLO Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000245170802 464467136 /nfs/dbraw/zinc/46/71/36/464467136.db2.gz XGZFSMRRSDEGNX-AWEZNQCLSA-N 1 2 348.472 2.150 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CS3)n(C)n1 ZINC000248039770 464726138 /nfs/dbraw/zinc/72/61/38/464726138.db2.gz NYYQMINFRRJBEH-MRXNPFEDSA-N 1 2 330.457 2.262 40 0 EEABLO CCc1nnc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000192156888 464877025 /nfs/dbraw/zinc/87/70/25/464877025.db2.gz XRZNUUCRABDSJF-MLGOLLRUSA-N 1 2 334.807 2.347 40 0 EEABLO CC[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192795006 464999350 /nfs/dbraw/zinc/99/93/50/464999350.db2.gz XUUCSMHPJFPHRR-TZMCWYRMSA-N 1 2 346.349 2.046 40 0 EEABLO CC[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192795006 464999352 /nfs/dbraw/zinc/99/93/52/464999352.db2.gz XUUCSMHPJFPHRR-TZMCWYRMSA-N 1 2 346.349 2.046 40 0 EEABLO Cc1nn(C)c(C)c1C[C@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302904725 466210655 /nfs/dbraw/zinc/21/06/55/466210655.db2.gz SCEOIXXAVMKSHO-LBPRGKRZSA-N 1 2 346.504 2.423 40 0 EEABLO Cc1nn(C)c(C)c1C[C@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302904725 466210665 /nfs/dbraw/zinc/21/06/65/466210665.db2.gz SCEOIXXAVMKSHO-LBPRGKRZSA-N 1 2 346.504 2.423 40 0 EEABLO Cc1cnc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cccc[nH+]3)CC2)cn1 ZINC000306139129 466494493 /nfs/dbraw/zinc/49/44/93/466494493.db2.gz SQASBJKEUVVWQH-NVXWUHKLSA-N 1 2 337.427 2.311 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CNC(=O)N(C)C)C2)cc1 ZINC000585112376 468974852 /nfs/dbraw/zinc/97/48/52/468974852.db2.gz OYXGSIZQJLYKEW-QGZVFWFLSA-N 1 2 327.432 2.020 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CNC(=O)N(C)C)C2)cc1 ZINC000585112376 468974855 /nfs/dbraw/zinc/97/48/55/468974855.db2.gz OYXGSIZQJLYKEW-QGZVFWFLSA-N 1 2 327.432 2.020 40 0 EEABLO CCCn1ccnc1C[N@@H+]1CC[C@](O)(COc2cccc(F)c2)C1 ZINC000585269404 468997971 /nfs/dbraw/zinc/99/79/71/468997971.db2.gz SCTKQNDBZIFQEG-GOSISDBHSA-N 1 2 333.407 2.448 40 0 EEABLO CCCn1ccnc1C[N@H+]1CC[C@](O)(COc2cccc(F)c2)C1 ZINC000585269404 468997973 /nfs/dbraw/zinc/99/79/73/468997973.db2.gz SCTKQNDBZIFQEG-GOSISDBHSA-N 1 2 333.407 2.448 40 0 EEABLO CC(C)c1noc(CCC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000131066421 528492194 /nfs/dbraw/zinc/49/21/94/528492194.db2.gz LGLVVJGCOUSVKS-CQSZACIVSA-N 1 2 343.431 2.306 40 0 EEABLO O=C(c1cccs1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528154 213213739 /nfs/dbraw/zinc/21/37/39/213213739.db2.gz KOOAUKSVBAJEAV-UHFFFAOYSA-N 1 2 343.456 2.101 40 0 EEABLO O=C(c1cccs1)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528154 213213740 /nfs/dbraw/zinc/21/37/40/213213740.db2.gz KOOAUKSVBAJEAV-UHFFFAOYSA-N 1 2 343.456 2.101 40 0 EEABLO COc1ccc([C@@H]2CN(c3cc(C)[nH+]cn3)CCN2C(C)=O)cc1 ZINC000072369020 216176179 /nfs/dbraw/zinc/17/61/79/216176179.db2.gz KKQKEZJNRHOTSN-KRWDZBQOSA-N 1 2 326.400 2.203 40 0 EEABLO Cc1cc(C(=O)N2CC[NH+](C[C@H](O)c3cc(C)ccc3C)CC2)on1 ZINC000072578123 216277373 /nfs/dbraw/zinc/27/73/73/216277373.db2.gz BJSWAJVCRIYEOF-KRWDZBQOSA-N 1 2 343.427 2.091 40 0 EEABLO CCn1cc(C(=O)NCCCn2cc[nH+]c2)c(=O)c2cc(C)ccc21 ZINC000022234744 212283910 /nfs/dbraw/zinc/28/39/10/212283910.db2.gz PRCLHXLTHAFYFI-UHFFFAOYSA-N 1 2 338.411 2.346 40 0 EEABLO CCOc1cccc2c(C)nc(NC3=[NH+]CN(C(C)C)CN3)nc12 ZINC000020634394 212158712 /nfs/dbraw/zinc/15/87/12/212158712.db2.gz WJSXHCPFEDNBIE-UHFFFAOYSA-N 1 2 328.420 2.333 40 0 EEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cn2ccc(C(F)(F)F)n2)[nH+]1 ZINC000257208949 244143730 /nfs/dbraw/zinc/14/37/30/244143730.db2.gz BOFCMDXGONIYGG-SNVBAGLBSA-N 1 2 327.310 2.297 40 0 EEABLO Cc1nccc([C@H]2CCCN(C(=O)C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000257226334 244200890 /nfs/dbraw/zinc/20/08/90/244200890.db2.gz FKGHVJJIIAHXDF-KRWDZBQOSA-N 1 2 339.443 2.018 40 0 EEABLO Cc1nccc([C@H]2CCCN(C(=O)C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000257226334 244200894 /nfs/dbraw/zinc/20/08/94/244200894.db2.gz FKGHVJJIIAHXDF-KRWDZBQOSA-N 1 2 339.443 2.018 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(Cc3ccc(C)nc3)CC[N@@H+]2C)c1 ZINC000257232183 244215777 /nfs/dbraw/zinc/21/57/77/244215777.db2.gz GJTCSSGMCFLQCZ-IBGZPJMESA-N 1 2 338.455 2.238 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(Cc3ccc(C)nc3)CC[N@H+]2C)c1 ZINC000257232183 244215781 /nfs/dbraw/zinc/21/57/81/244215781.db2.gz GJTCSSGMCFLQCZ-IBGZPJMESA-N 1 2 338.455 2.238 40 0 EEABLO Cc1nccc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257245239 244255623 /nfs/dbraw/zinc/25/56/23/244255623.db2.gz IOQPWKMNINJJAT-SFHVURJKSA-N 1 2 327.384 2.130 40 0 EEABLO Cc1nccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257245239 244255627 /nfs/dbraw/zinc/25/56/27/244255627.db2.gz IOQPWKMNINJJAT-SFHVURJKSA-N 1 2 327.384 2.130 40 0 EEABLO COc1ccccc1[C@H]1CN(C(C)=O)CC[N@@H+]1Cc1cnn(C)c1C ZINC000257232747 244220233 /nfs/dbraw/zinc/22/02/33/244220233.db2.gz GMFIIOCDHDBXIZ-GOSISDBHSA-N 1 2 342.443 2.143 40 0 EEABLO COc1ccccc1[C@H]1CN(C(C)=O)CC[N@H+]1Cc1cnn(C)c1C ZINC000257232747 244220237 /nfs/dbraw/zinc/22/02/37/244220237.db2.gz GMFIIOCDHDBXIZ-GOSISDBHSA-N 1 2 342.443 2.143 40 0 EEABLO Cc1nccnc1CC[C@H]1COCC[N@H+]1Cc1ccnn1C(C)C ZINC000257238692 244234885 /nfs/dbraw/zinc/23/48/85/244234885.db2.gz HMBWTOMRSBYYKC-KRWDZBQOSA-N 1 2 329.448 2.396 40 0 EEABLO Cc1nccnc1CC[C@H]1COCC[N@@H+]1Cc1ccnn1C(C)C ZINC000257238692 244234888 /nfs/dbraw/zinc/23/48/88/244234888.db2.gz HMBWTOMRSBYYKC-KRWDZBQOSA-N 1 2 329.448 2.396 40 0 EEABLO Cc1cc(CC2CCN(S(=O)(=O)c3cccnc3)CC2)cc[nH+]1 ZINC000257250477 244268934 /nfs/dbraw/zinc/26/89/34/244268934.db2.gz JMQWHXXVESXZBG-UHFFFAOYSA-N 1 2 331.441 2.428 40 0 EEABLO O=S(=O)(NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000019932191 212086187 /nfs/dbraw/zinc/08/61/87/212086187.db2.gz KSDUJHYTLWOETF-UHFFFAOYSA-N 1 2 331.372 2.490 40 0 EEABLO COc1cccc(C[N@@H+]2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)c1 ZINC000019565484 212044104 /nfs/dbraw/zinc/04/41/04/212044104.db2.gz JZQPYZZVJFWRDK-UHFFFAOYSA-N 1 2 349.394 2.206 40 0 EEABLO COc1cccc(C[N@H+]2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)c1 ZINC000019565484 212044108 /nfs/dbraw/zinc/04/41/08/212044108.db2.gz JZQPYZZVJFWRDK-UHFFFAOYSA-N 1 2 349.394 2.206 40 0 EEABLO COCCN1CC[N@H+](Cc2cccc(-c3cccnc3)c2)CC1=O ZINC000097235578 219001674 /nfs/dbraw/zinc/00/16/74/219001674.db2.gz NNBJWLUGPRGMLU-UHFFFAOYSA-N 1 2 325.412 2.039 40 0 EEABLO COCCN1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)CC1=O ZINC000097235578 219001675 /nfs/dbraw/zinc/00/16/75/219001675.db2.gz NNBJWLUGPRGMLU-UHFFFAOYSA-N 1 2 325.412 2.039 40 0 EEABLO Cc1cccc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3[C@H]2C)n1 ZINC000096062063 274789118 /nfs/dbraw/zinc/78/91/18/274789118.db2.gz JPEYQXLATOAPEV-CQSZACIVSA-N 1 2 336.399 2.048 40 0 EEABLO CO[C@H](C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000249442897 294298204 /nfs/dbraw/zinc/29/82/04/294298204.db2.gz FPQPNORIBKFNDE-UGFHNGPFSA-N 1 2 346.880 2.040 40 0 EEABLO CO[C@H](C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000249442897 294298206 /nfs/dbraw/zinc/29/82/06/294298206.db2.gz FPQPNORIBKFNDE-UGFHNGPFSA-N 1 2 346.880 2.040 40 0 EEABLO CC(=O)N1CCN(c2ccc3[nH]c(-c4ccc(N)cc4)[nH+]c3c2)CC1 ZINC000045221703 462569800 /nfs/dbraw/zinc/56/98/00/462569800.db2.gz MYZCUHLJJNRUOP-UHFFFAOYSA-N 1 2 335.411 2.481 40 0 EEABLO Cc1nc(C[N@@H+]2CCC[C@]3(CN(c4ncccn4)CCO3)C2)cs1 ZINC000096074919 463168564 /nfs/dbraw/zinc/16/85/64/463168564.db2.gz NSUKLVMOCFAWRC-QGZVFWFLSA-N 1 2 345.472 2.113 40 0 EEABLO Cc1nc(C[N@H+]2CCC[C@]3(CN(c4ncccn4)CCO3)C2)cs1 ZINC000096074919 463168567 /nfs/dbraw/zinc/16/85/67/463168567.db2.gz NSUKLVMOCFAWRC-QGZVFWFLSA-N 1 2 345.472 2.113 40 0 EEABLO O=C(c1ccccn1)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096187986 463199944 /nfs/dbraw/zinc/19/99/44/463199944.db2.gz MXORLEWJVOHBGN-HNNXBMFYSA-N 1 2 349.394 2.024 40 0 EEABLO Cc1occc1C(=O)N1CC[C@@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219126 463216923 /nfs/dbraw/zinc/21/69/23/463216923.db2.gz WZPFTCBPGYXEIY-RDTXWAMCSA-N 1 2 327.384 2.469 40 0 EEABLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCOC[C@@H]2CCCO2)c1 ZINC000096436557 463264688 /nfs/dbraw/zinc/26/46/88/463264688.db2.gz PNDGAWYRYIXUHR-HNNXBMFYSA-N 1 2 329.400 2.106 40 0 EEABLO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443466 463268371 /nfs/dbraw/zinc/26/83/71/463268371.db2.gz VWHAIBXPNKBKCV-BETUJISGSA-N 1 2 333.457 2.064 40 0 EEABLO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443466 463268378 /nfs/dbraw/zinc/26/83/78/463268378.db2.gz VWHAIBXPNKBKCV-BETUJISGSA-N 1 2 333.457 2.064 40 0 EEABLO CCc1cnc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)s1 ZINC000096443485 463268651 /nfs/dbraw/zinc/26/86/51/463268651.db2.gz PEQUBEKLAPXBGL-HNNXBMFYSA-N 1 2 330.457 2.054 40 0 EEABLO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000163026849 463557347 /nfs/dbraw/zinc/55/73/47/463557347.db2.gz WTFASLRYCMXKKK-HNNXBMFYSA-N 1 2 339.443 2.133 40 0 EEABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)cc[nH+]1 ZINC000257290863 463764588 /nfs/dbraw/zinc/76/45/88/463764588.db2.gz QEQHLLIORYINOI-MRXNPFEDSA-N 1 2 336.399 2.396 40 0 EEABLO O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257298368 463767793 /nfs/dbraw/zinc/76/77/93/463767793.db2.gz RLJKZHOEKDPJAD-SFHVURJKSA-N 1 2 333.395 2.258 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)[nH+]1 ZINC000257311662 463773283 /nfs/dbraw/zinc/77/32/83/463773283.db2.gz UKNLJMLTAMBTDJ-OAHLLOKOSA-N 1 2 337.427 2.484 40 0 EEABLO CN(C)C(=O)[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247999212 464721175 /nfs/dbraw/zinc/72/11/75/464721175.db2.gz NIFHTTIPRABKII-INIZCTEOSA-N 1 2 348.834 2.060 40 0 EEABLO CN(C)C(=O)[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247999212 464721181 /nfs/dbraw/zinc/72/11/81/464721181.db2.gz NIFHTTIPRABKII-INIZCTEOSA-N 1 2 348.834 2.060 40 0 EEABLO Cc1nc(C[N@@H+]2CCCN(c3ncnc4onc(C)c43)CC2)cs1 ZINC000192451430 464928505 /nfs/dbraw/zinc/92/85/05/464928505.db2.gz JCHFOJKAPFBKTE-UHFFFAOYSA-N 1 2 344.444 2.403 40 0 EEABLO Cc1nc(C[N@H+]2CCCN(c3ncnc4onc(C)c43)CC2)cs1 ZINC000192451430 464928510 /nfs/dbraw/zinc/92/85/10/464928510.db2.gz JCHFOJKAPFBKTE-UHFFFAOYSA-N 1 2 344.444 2.403 40 0 EEABLO Cc1cc(C)n2c(CN3CC[NH+](Cc4ccncc4)CC3)cnc2n1 ZINC000184715442 465021014 /nfs/dbraw/zinc/02/10/14/465021014.db2.gz JCAKZUJRUFIFFR-UHFFFAOYSA-N 1 2 336.443 2.059 40 0 EEABLO Cc1cc(C)n2c(C[NH+]3CCN(Cc4ccncc4)CC3)cnc2n1 ZINC000184715442 465021017 /nfs/dbraw/zinc/02/10/17/465021017.db2.gz JCAKZUJRUFIFFR-UHFFFAOYSA-N 1 2 336.443 2.059 40 0 EEABLO Cc1cnc(C(=O)N2CC[C@H]3CCN(c4cccc[nH+]4)[C@H]3CC2)cn1 ZINC000306139130 466494722 /nfs/dbraw/zinc/49/47/22/466494722.db2.gz SQASBJKEUVVWQH-RDJZCZTQSA-N 1 2 337.427 2.311 40 0 EEABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187379771 236195696 /nfs/dbraw/zinc/19/56/96/236195696.db2.gz ABHYOYNAXAHRGT-KURKYZTESA-N 1 2 340.427 2.298 40 0 EEABLO CCOCc1ccc(CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000230082253 242226011 /nfs/dbraw/zinc/22/60/11/242226011.db2.gz YPKHBYUNEPXSAM-MSOLQXFVSA-N 1 2 332.444 2.093 40 0 EEABLO CCOCc1ccc(CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000230082253 242226018 /nfs/dbraw/zinc/22/60/18/242226018.db2.gz YPKHBYUNEPXSAM-MSOLQXFVSA-N 1 2 332.444 2.093 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccsc3)CC[N@@H+]2C)c1 ZINC000257246265 244257556 /nfs/dbraw/zinc/25/75/56/244257556.db2.gz ITIUGXMTHCICPI-MRXNPFEDSA-N 1 2 343.452 2.237 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccsc3)CC[N@H+]2C)c1 ZINC000257246265 244257558 /nfs/dbraw/zinc/25/75/58/244257558.db2.gz ITIUGXMTHCICPI-MRXNPFEDSA-N 1 2 343.452 2.237 40 0 EEABLO Cc1nccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000257275090 244391914 /nfs/dbraw/zinc/39/19/14/244391914.db2.gz NNWHHRPWMMPERX-INIZCTEOSA-N 1 2 334.383 2.343 40 0 EEABLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cnn(C)c2)c(OC)c1 ZINC000019290723 212011470 /nfs/dbraw/zinc/01/14/70/212011470.db2.gz IONPCDBFNBHIMR-INIZCTEOSA-N 1 2 344.415 2.213 40 0 EEABLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cnn(C)c2)c(OC)c1 ZINC000019290723 212011473 /nfs/dbraw/zinc/01/14/73/212011473.db2.gz IONPCDBFNBHIMR-INIZCTEOSA-N 1 2 344.415 2.213 40 0 EEABLO CCc1noc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000078928820 217150088 /nfs/dbraw/zinc/15/00/88/217150088.db2.gz CUSVPHMEMFFOGI-OAHLLOKOSA-N 1 2 343.431 2.040 40 0 EEABLO CCc1noc(CN(C)C(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000078928820 217150090 /nfs/dbraw/zinc/15/00/90/217150090.db2.gz CUSVPHMEMFFOGI-OAHLLOKOSA-N 1 2 343.431 2.040 40 0 EEABLO C[N@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000093938642 218258035 /nfs/dbraw/zinc/25/80/35/218258035.db2.gz OWFMYPKVHDJTAE-GFCCVEGCSA-N 1 2 336.226 2.207 40 0 EEABLO C[N@@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000093938642 218258036 /nfs/dbraw/zinc/25/80/36/218258036.db2.gz OWFMYPKVHDJTAE-GFCCVEGCSA-N 1 2 336.226 2.207 40 0 EEABLO CC(C)COc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000009237922 211057600 /nfs/dbraw/zinc/05/76/00/211057600.db2.gz VJUCSFMTUDVKIF-UHFFFAOYSA-N 1 2 344.415 2.063 40 0 EEABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 ZINC000097379131 219019700 /nfs/dbraw/zinc/01/97/00/219019700.db2.gz HXAAMEJZPQBLPB-CYBMUJFWSA-N 1 2 337.489 2.116 40 0 EEABLO O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000078979439 280223657 /nfs/dbraw/zinc/22/36/57/280223657.db2.gz WWJTYQODIPAGBR-HNNXBMFYSA-N 1 2 340.362 2.497 40 0 EEABLO O=C1N(c2ccccn2)C[C@H]2C[N@H+](Cc3ccc(F)cc3)CCN12 ZINC000085436155 462548029 /nfs/dbraw/zinc/54/80/29/462548029.db2.gz KBIFOXOPMIWGCK-MRXNPFEDSA-N 1 2 326.375 2.347 40 0 biogenic,in-vitro EEABLO O=C1N(c2ccccn2)C[C@H]2C[N@@H+](Cc3ccc(F)cc3)CCN12 ZINC000085436155 462548033 /nfs/dbraw/zinc/54/80/33/462548033.db2.gz KBIFOXOPMIWGCK-MRXNPFEDSA-N 1 2 326.375 2.347 40 0 biogenic,in-vitro EEABLO COC(=O)c1ccc([C@H](C)N2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000089267641 462661006 /nfs/dbraw/zinc/66/10/06/462661006.db2.gz XOPYIKRKJUVNRX-AWEZNQCLSA-N 1 2 329.400 2.340 40 0 EEABLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(Cc3ccncc3)CC2)o1 ZINC000089267641 462661010 /nfs/dbraw/zinc/66/10/10/462661010.db2.gz XOPYIKRKJUVNRX-AWEZNQCLSA-N 1 2 329.400 2.340 40 0 EEABLO CCCN1C(=O)CCc2cc(NC(=O)NCCn3cc[nH+]c3)ccc21 ZINC000091195681 462851577 /nfs/dbraw/zinc/85/15/77/462851577.db2.gz VWRLRNUSXVVZOH-UHFFFAOYSA-N 1 2 341.415 2.394 40 0 EEABLO c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)ccn1 ZINC000096058001 463160067 /nfs/dbraw/zinc/16/00/67/463160067.db2.gz KYKDFZJIXBZUIP-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)ccn1 ZINC000096058001 463160074 /nfs/dbraw/zinc/16/00/74/463160074.db2.gz KYKDFZJIXBZUIP-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO Cc1ccc2[nH]c(CO[C@H]3CN(Cc4[nH]cc[nH+]4)C[C@H]3F)nc2c1 ZINC000096112320 463179808 /nfs/dbraw/zinc/17/98/08/463179808.db2.gz UPQTUWIJCLCUEA-DOMZBBRYSA-N 1 2 329.379 2.334 40 0 biogenic,in-vitro EEABLO Cc1ccc2nc(CO[C@H]3CN(Cc4[nH]cc[nH+]4)C[C@H]3F)[nH]c2c1 ZINC000096112320 463179812 /nfs/dbraw/zinc/17/98/12/463179812.db2.gz UPQTUWIJCLCUEA-DOMZBBRYSA-N 1 2 329.379 2.334 40 0 biogenic,in-vitro EEABLO CN(C)C(=O)COCc1cncc2c1CC[N@H+](Cc1ccsc1)C2 ZINC000096189379 463201891 /nfs/dbraw/zinc/20/18/91/463201891.db2.gz SWWVGIKHQRSGKO-UHFFFAOYSA-N 1 2 345.468 2.306 40 0 EEABLO CN(C)C(=O)COCc1cncc2c1CC[N@@H+](Cc1ccsc1)C2 ZINC000096189379 463201899 /nfs/dbraw/zinc/20/18/99/463201899.db2.gz SWWVGIKHQRSGKO-UHFFFAOYSA-N 1 2 345.468 2.306 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccoc1)c1ccco1 ZINC000096250300 463227035 /nfs/dbraw/zinc/22/70/35/463227035.db2.gz LVNNOTDGGPRCMR-YQQAZPJKSA-N 1 2 330.384 2.282 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccoc1)c1ccco1 ZINC000096250300 463227040 /nfs/dbraw/zinc/22/70/40/463227040.db2.gz LVNNOTDGGPRCMR-YQQAZPJKSA-N 1 2 330.384 2.282 40 0 EEABLO c1csc(C[N@@H+]2CCCn3nnc(CNc4ncccn4)c3C2)c1 ZINC000096259498 463230462 /nfs/dbraw/zinc/23/04/62/463230462.db2.gz LMWZKYXPLLCWLI-UHFFFAOYSA-N 1 2 341.444 2.148 40 0 EEABLO c1csc(C[N@H+]2CCCn3nnc(CNc4ncccn4)c3C2)c1 ZINC000096259498 463230464 /nfs/dbraw/zinc/23/04/64/463230464.db2.gz LMWZKYXPLLCWLI-UHFFFAOYSA-N 1 2 341.444 2.148 40 0 EEABLO Cc1cc2[nH+]cn(C[C@H](O)COc3cc(C)c(C)nn3)c2cc1C ZINC000096415102 463248548 /nfs/dbraw/zinc/24/85/48/463248548.db2.gz GROKCNREEMZNHA-HNNXBMFYSA-N 1 2 326.400 2.500 40 0 EEABLO C[C@@H](CNC(=O)CCc1ccc(O)c(Cl)c1)[N@@H+]1CCOC[C@@H]1C ZINC000097236990 463352021 /nfs/dbraw/zinc/35/20/21/463352021.db2.gz VIAOUGNOWVTHMG-STQMWFEESA-N 1 2 340.851 2.204 40 0 EEABLO C[C@@H](CNC(=O)CCc1ccc(O)c(Cl)c1)[N@H+]1CCOC[C@@H]1C ZINC000097236990 463352024 /nfs/dbraw/zinc/35/20/24/463352024.db2.gz VIAOUGNOWVTHMG-STQMWFEESA-N 1 2 340.851 2.204 40 0 EEABLO CCc1cc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3OC)C2)no1 ZINC000257220846 463756547 /nfs/dbraw/zinc/75/65/47/463756547.db2.gz DMLCYRDTJATAEL-INIZCTEOSA-N 1 2 329.400 2.375 40 0 EEABLO CCc1cc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3OC)C2)no1 ZINC000257220846 463756554 /nfs/dbraw/zinc/75/65/54/463756554.db2.gz DMLCYRDTJATAEL-INIZCTEOSA-N 1 2 329.400 2.375 40 0 EEABLO O=C(Cc1ccc2c(c1)CCC2)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257301160 463769020 /nfs/dbraw/zinc/76/90/20/463769020.db2.gz RXFJIVWMVJSXBF-OALUTQOASA-N 1 2 339.439 2.139 40 0 EEABLO Cc1occc1-c1nnc(S(=O)(=O)Cc2ccc(C)[nH+]c2C)n1C ZINC000195108670 463993061 /nfs/dbraw/zinc/99/30/61/463993061.db2.gz XVFCZEMXADQQPP-UHFFFAOYSA-N 1 2 346.412 2.369 40 0 EEABLO CC(C)(C)[C@H]1C[N@H+](CCS(=O)(=O)Cc2ccccc2)CCO1 ZINC000279356071 464092163 /nfs/dbraw/zinc/09/21/63/464092163.db2.gz QSMDSILTCKRYBY-MRXNPFEDSA-N 1 2 325.474 2.348 40 0 EEABLO CC(C)(C)[C@H]1C[N@@H+](CCS(=O)(=O)Cc2ccccc2)CCO1 ZINC000279356071 464092166 /nfs/dbraw/zinc/09/21/66/464092166.db2.gz QSMDSILTCKRYBY-MRXNPFEDSA-N 1 2 325.474 2.348 40 0 EEABLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000239352166 464442096 /nfs/dbraw/zinc/44/20/96/464442096.db2.gz ABHNNXAXHSDQMA-GFCCVEGCSA-N 1 2 344.196 2.174 40 0 EEABLO CNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000239352166 464442105 /nfs/dbraw/zinc/44/21/05/464442105.db2.gz ABHNNXAXHSDQMA-GFCCVEGCSA-N 1 2 344.196 2.174 40 0 EEABLO O=C(NC1CC1)[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247758655 464705484 /nfs/dbraw/zinc/70/54/84/464705484.db2.gz YWZISFZYAIHIQQ-GOSISDBHSA-N 1 2 335.411 2.200 40 0 EEABLO O=C(NC1CC1)[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247758655 464705488 /nfs/dbraw/zinc/70/54/88/464705488.db2.gz YWZISFZYAIHIQQ-GOSISDBHSA-N 1 2 335.411 2.200 40 0 EEABLO Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575422780 468143948 /nfs/dbraw/zinc/14/39/48/468143948.db2.gz WLZKROGEWHPAKK-MOPGFXCFSA-N 1 2 345.464 2.155 40 0 EEABLO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575422780 468143949 /nfs/dbraw/zinc/14/39/49/468143949.db2.gz WLZKROGEWHPAKK-MOPGFXCFSA-N 1 2 345.464 2.155 40 0 EEABLO Cc1cccc(OC[C@]2(O)COCC[N@H+](Cc3ccc(F)cn3)C2)c1 ZINC000585268981 468997365 /nfs/dbraw/zinc/99/73/65/468997365.db2.gz GLABWJQWIJCXMY-LJQANCHMSA-N 1 2 346.402 2.171 40 0 EEABLO Cc1cccc(OC[C@]2(O)COCC[N@@H+](Cc3ccc(F)cn3)C2)c1 ZINC000585268981 468997375 /nfs/dbraw/zinc/99/73/75/468997375.db2.gz GLABWJQWIJCXMY-LJQANCHMSA-N 1 2 346.402 2.171 40 0 EEABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585279292 469004580 /nfs/dbraw/zinc/00/45/80/469004580.db2.gz YZWXVWJXIBXWON-HOTGVXAUSA-N 1 2 333.819 2.131 40 0 EEABLO CC(=O)N1CC[N@H+](CCOCC(F)(F)C(F)(F)F)C(C)(C)C1 ZINC000189865047 526628136 /nfs/dbraw/zinc/62/81/36/526628136.db2.gz DRHWRVRYUMXBNK-UHFFFAOYSA-N 1 2 332.313 2.143 40 0 EEABLO CC(=O)N1CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C(C)(C)C1 ZINC000189865047 526628142 /nfs/dbraw/zinc/62/81/42/526628142.db2.gz DRHWRVRYUMXBNK-UHFFFAOYSA-N 1 2 332.313 2.143 40 0 EEABLO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000223023210 536045842 /nfs/dbraw/zinc/04/58/42/536045842.db2.gz RVYBOBADSMTZBE-INIZCTEOSA-N 1 2 340.851 2.254 40 0 EEABLO COc1cccc([C@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2cc[nH]n2)c1 ZINC000257237395 536912986 /nfs/dbraw/zinc/91/29/86/536912986.db2.gz HGGPDDWYUGKLPS-MRXNPFEDSA-N 1 2 337.383 2.321 40 0 EEABLO COc1cccc([C@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2ccn[nH]2)c1 ZINC000257237395 536912991 /nfs/dbraw/zinc/91/29/91/536912991.db2.gz HGGPDDWYUGKLPS-MRXNPFEDSA-N 1 2 337.383 2.321 40 0 EEABLO Cc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072361826 216169339 /nfs/dbraw/zinc/16/93/39/216169339.db2.gz DAWNFOHJBXGSGQ-AWEZNQCLSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072361826 216169342 /nfs/dbraw/zinc/16/93/42/216169342.db2.gz DAWNFOHJBXGSGQ-AWEZNQCLSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000072379004 216180620 /nfs/dbraw/zinc/18/06/20/216180620.db2.gz ZPPNKPJXHWUXFE-AWEZNQCLSA-N 1 2 336.399 2.319 40 0 EEABLO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC000072379004 216180621 /nfs/dbraw/zinc/18/06/21/216180621.db2.gz ZPPNKPJXHWUXFE-AWEZNQCLSA-N 1 2 336.399 2.319 40 0 EEABLO CNC(=O)CCc1cccc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072382854 216184122 /nfs/dbraw/zinc/18/41/22/216184122.db2.gz MOTCIRNUFPXWRO-MRXNPFEDSA-N 1 2 325.416 2.200 40 0 EEABLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000195578159 241024036 /nfs/dbraw/zinc/02/40/36/241024036.db2.gz CGMMKLAHEZUIEM-IAGOWNOFSA-N 1 2 343.427 2.104 40 0 EEABLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000195578159 241024040 /nfs/dbraw/zinc/02/40/40/241024040.db2.gz CGMMKLAHEZUIEM-IAGOWNOFSA-N 1 2 343.427 2.104 40 0 EEABLO COc1ccccc1[C@@H]1CN(c2cc(C)[nH+]cn2)CCN1C(C)=O ZINC000257243219 244250364 /nfs/dbraw/zinc/25/03/64/244250364.db2.gz IFXYZDHFWJZJET-INIZCTEOSA-N 1 2 326.400 2.203 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3CCCC3)CC[N@@H+]2C)c1 ZINC000257235052 244226460 /nfs/dbraw/zinc/22/64/60/244226460.db2.gz GWFCTUXICZIDNE-QGZVFWFLSA-N 1 2 329.444 2.052 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3CCCC3)CC[N@H+]2C)c1 ZINC000257235052 244226468 /nfs/dbraw/zinc/22/64/68/244226468.db2.gz GWFCTUXICZIDNE-QGZVFWFLSA-N 1 2 329.444 2.052 40 0 EEABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H](c2cnccn2)C1 ZINC000257261393 244349469 /nfs/dbraw/zinc/34/94/69/244349469.db2.gz LHCUDSCEZNCKAP-HNNXBMFYSA-N 1 2 334.383 2.077 40 0 EEABLO Cn1cc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cn1 ZINC000019290719 212011580 /nfs/dbraw/zinc/01/15/80/212011580.db2.gz UVVRNPGAZXSQDZ-UHFFFAOYSA-N 1 2 332.379 2.041 40 0 EEABLO O=C(C[NH+]1CCC(O)(c2cccnc2)CC1)Nc1cccc(F)c1 ZINC000012113228 211293543 /nfs/dbraw/zinc/29/35/43/211293543.db2.gz SFJXTLVKVGQXJG-UHFFFAOYSA-N 1 2 329.375 2.143 40 0 EEABLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccccc1Br ZINC000097230236 219000589 /nfs/dbraw/zinc/00/05/89/219000589.db2.gz FXQNVIYPPOEHOO-NSHDSACASA-N 1 2 338.205 2.229 40 0 EEABLO Cc1cc(CCC(=O)[O-])cc([C@@H]2CCC[N@H+]2Cc2c[nH+]cn2C)n1 ZINC000072367106 301269188 /nfs/dbraw/zinc/26/91/88/301269188.db2.gz IFNKXFZGCDYQOI-KRWDZBQOSA-N 1 2 328.416 2.478 40 0 EEABLO Cc1cc(CCC(=O)[O-])cc([C@@H]2CCC[N@@H+]2Cc2c[nH+]cn2C)n1 ZINC000072367106 301269191 /nfs/dbraw/zinc/26/91/91/301269191.db2.gz IFNKXFZGCDYQOI-KRWDZBQOSA-N 1 2 328.416 2.478 40 0 EEABLO COc1ccccc1OCc1ccc(C(=O)N2CC[NH+](C)CC2)o1 ZINC000000204992 462547701 /nfs/dbraw/zinc/54/77/01/462547701.db2.gz BRTLFBDQFIOCKY-UHFFFAOYSA-N 1 2 330.384 2.255 40 0 EEABLO OC[C@@H]1CO[C@@](Cn2cc[nH+]c2)(c2ccc(Cl)cc2Cl)O1 ZINC000000297649 462553522 /nfs/dbraw/zinc/55/35/22/462553522.db2.gz VJZJGRMLFMJRGG-BXUZGUMPSA-N 1 2 329.183 2.451 40 0 EEABLO CCOc1cc2c(cc1NC(=O)NCCn1cc[nH+]c1)O[C@H](C)C2 ZINC000076095893 462807775 /nfs/dbraw/zinc/80/77/75/462807775.db2.gz 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Cn1cc[nH+]c1CN1CCO[C@@H]2C[C@@H](COCc3ccccn3)C[C@H]21 ZINC000096250838 463227489 /nfs/dbraw/zinc/22/74/89/463227489.db2.gz LCWPVGHTFOAFQZ-CGTJXYLNSA-N 1 2 342.443 2.011 40 0 EEABLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]2CCCO2)C1 ZINC000096406593 463240356 /nfs/dbraw/zinc/24/03/56/463240356.db2.gz RDXMTOSXNFFUCC-RTBURBONSA-N 1 2 349.496 2.343 40 0 EEABLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc3c(c2)CCC3)C[C@H]2CCCO2)C1 ZINC000096406593 463240360 /nfs/dbraw/zinc/24/03/60/463240360.db2.gz RDXMTOSXNFFUCC-RTBURBONSA-N 1 2 349.496 2.343 40 0 EEABLO CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000096468430 463277715 /nfs/dbraw/zinc/27/77/15/463277715.db2.gz IJBJXCXIQYMUSX-MRXNPFEDSA-N 1 2 343.431 2.297 40 0 EEABLO CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000096468427 463278040 /nfs/dbraw/zinc/27/80/40/463278040.db2.gz IJBJXCXIQYMUSX-INIZCTEOSA-N 1 2 343.431 2.297 40 0 EEABLO CC1=C(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCCO1 ZINC000096484859 463283795 /nfs/dbraw/zinc/28/37/95/463283795.db2.gz CAVAZQAPYKXTGL-SFHVURJKSA-N 1 2 344.455 2.131 40 0 EEABLO C[N@H+](Cc1ccccc1OCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000096489412 463285010 /nfs/dbraw/zinc/28/50/10/463285010.db2.gz DXXRUSOOBBSAAG-QGZVFWFLSA-N 1 2 346.452 2.280 40 0 EEABLO C[N@@H+](Cc1ccccc1OCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000096489412 463285011 /nfs/dbraw/zinc/28/50/11/463285011.db2.gz DXXRUSOOBBSAAG-QGZVFWFLSA-N 1 2 346.452 2.280 40 0 EEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)C2=Cc3ccccc3OC2)[nH+]1 ZINC000257228338 463756417 /nfs/dbraw/zinc/75/64/17/463756417.db2.gz FTLHFRUTAQFBIF-HNNXBMFYSA-N 1 2 325.368 2.094 40 0 EEABLO CNc1cc([C@@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)cc[nH+]1 ZINC000257285081 463761758 /nfs/dbraw/zinc/76/17/58/463761758.db2.gz PFONIAHFFVNXPK-CYBMUJFWSA-N 1 2 333.823 2.379 40 0 EEABLO Cc1ccc(CC(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)s1 ZINC000257286829 463763328 /nfs/dbraw/zinc/76/33/28/463763328.db2.gz PNGADEWSWWVYQU-SFHVURJKSA-N 1 2 345.468 2.142 40 0 EEABLO Cc1cncc([C@@H]2CCCN(C(=O)C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000257341284 463785898 /nfs/dbraw/zinc/78/58/98/463785898.db2.gz ZJRCTBFVTSVWRZ-QGZVFWFLSA-N 1 2 339.443 2.018 40 0 EEABLO Cc1cncc([C@@H]2CCCN(C(=O)C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000257341284 463785902 /nfs/dbraw/zinc/78/59/02/463785902.db2.gz ZJRCTBFVTSVWRZ-QGZVFWFLSA-N 1 2 339.443 2.018 40 0 EEABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257341296 463785938 /nfs/dbraw/zinc/78/59/38/463785938.db2.gz ZJTIGTJWOYCEKG-SFHVURJKSA-N 1 2 338.415 2.087 40 0 EEABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257341296 463785940 /nfs/dbraw/zinc/78/59/40/463785940.db2.gz ZJTIGTJWOYCEKG-SFHVURJKSA-N 1 2 338.415 2.087 40 0 EEABLO CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000195438243 464053689 /nfs/dbraw/zinc/05/36/89/464053689.db2.gz FPQPNORIBKFNDE-KCPJHIHWSA-N 1 2 346.880 2.040 40 0 EEABLO CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000195438243 464053694 /nfs/dbraw/zinc/05/36/94/464053694.db2.gz FPQPNORIBKFNDE-KCPJHIHWSA-N 1 2 346.880 2.040 40 0 EEABLO Cc1cc2c(ncnc2N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)s1 ZINC000189512258 464521989 /nfs/dbraw/zinc/52/19/89/464521989.db2.gz VKSNWXHKLDYEPF-LLVKDONJSA-N 1 2 346.378 2.045 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1)c1ccco1 ZINC000247505959 464688394 /nfs/dbraw/zinc/68/83/94/464688394.db2.gz RNANTIGPSUUVHE-JZXOWHBKSA-N 1 2 341.411 2.084 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1cccnc1)c1ccco1 ZINC000247505959 464688397 /nfs/dbraw/zinc/68/83/97/464688397.db2.gz RNANTIGPSUUVHE-JZXOWHBKSA-N 1 2 341.411 2.084 40 0 EEABLO CC(C)[N@H+]1Cc2ccnn2[C@H](CCNS(=O)(=O)c2ccccc2)C1 ZINC000585112998 468976539 /nfs/dbraw/zinc/97/65/39/468976539.db2.gz ZRIFPFHINBGBTE-MRXNPFEDSA-N 1 2 348.472 2.017 40 0 EEABLO CC(C)[N@@H+]1Cc2ccnn2[C@H](CCNS(=O)(=O)c2ccccc2)C1 ZINC000585112998 468976544 /nfs/dbraw/zinc/97/65/44/468976544.db2.gz ZRIFPFHINBGBTE-MRXNPFEDSA-N 1 2 348.472 2.017 40 0 EEABLO CCCCc1[nH]c(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c[nH+]1 ZINC000257222426 535103205 /nfs/dbraw/zinc/10/32/05/535103205.db2.gz DTGFEZDAQDXMOP-INIZCTEOSA-N 1 2 345.447 2.082 40 0 EEABLO CCCCc1[nH]cc(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)[nH+]1 ZINC000257222426 535103211 /nfs/dbraw/zinc/10/32/11/535103211.db2.gz DTGFEZDAQDXMOP-INIZCTEOSA-N 1 2 345.447 2.082 40 0 EEABLO Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CO1)C1CC1 ZINC000685939071 539988855 /nfs/dbraw/zinc/98/88/55/539988855.db2.gz KXHKRWPTQMXVMO-DLBZAZTESA-N 1 2 340.427 2.312 40 0 EEABLO Cn1cc(C[NH+]2CCN(Cc3cccnc3)CC2)c(C(C)(C)C)n1 ZINC000183669603 235191725 /nfs/dbraw/zinc/19/17/25/235191725.db2.gz GJPCVXVUWWYXQR-UHFFFAOYSA-N 1 2 327.476 2.430 40 0 EEABLO Cn1cc(CN2CC[NH+](Cc3cccnc3)CC2)c(C(C)(C)C)n1 ZINC000183669603 235191727 /nfs/dbraw/zinc/19/17/27/235191727.db2.gz GJPCVXVUWWYXQR-UHFFFAOYSA-N 1 2 327.476 2.430 40 0 EEABLO COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1cccnn1 ZINC000257231800 244216634 /nfs/dbraw/zinc/21/66/34/244216634.db2.gz GIGPKQBYNPYGJZ-MRXNPFEDSA-N 1 2 349.394 2.387 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CC[N@@H+]2C)cc1 ZINC000257226735 244202687 /nfs/dbraw/zinc/20/26/87/244202687.db2.gz FLXLZITVBYCUNX-SFHVURJKSA-N 1 2 343.427 2.358 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CC[N@H+]2C)cc1 ZINC000257226735 244202693 /nfs/dbraw/zinc/20/26/93/244202693.db2.gz FLXLZITVBYCUNX-SFHVURJKSA-N 1 2 343.427 2.358 40 0 EEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)[nH+]1 ZINC000257236176 244230685 /nfs/dbraw/zinc/23/06/85/244230685.db2.gz HBBXNZAAKPITRX-CYBMUJFWSA-N 1 2 331.420 2.184 40 0 EEABLO CNc1[nH+]c([C@@H]2CCN(C(=O)c3cccnc3)C2)c2sccn12 ZINC000257241677 244244817 /nfs/dbraw/zinc/24/48/17/244244817.db2.gz HZBJDULZNLSVKM-GFCCVEGCSA-N 1 2 327.413 2.462 40 0 EEABLO CCCn1ccc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3OC)C2)n1 ZINC000257261605 244350363 /nfs/dbraw/zinc/35/03/63/244350363.db2.gz LIBABGLEBBBEAW-QGZVFWFLSA-N 1 2 342.443 2.431 40 0 EEABLO CCCn1ccc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3OC)C2)n1 ZINC000257261605 244350365 /nfs/dbraw/zinc/35/03/65/244350365.db2.gz LIBABGLEBBBEAW-QGZVFWFLSA-N 1 2 342.443 2.431 40 0 EEABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)cc[nH+]1 ZINC000257263604 244355343 /nfs/dbraw/zinc/35/53/43/244355343.db2.gz LQSCEODUDNSQDP-CQSZACIVSA-N 1 2 336.399 2.414 40 0 EEABLO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@@H](COC)C(=O)OCC ZINC000005028381 210366478 /nfs/dbraw/zinc/36/64/78/210366478.db2.gz KWYHYTRGVRWJPI-INIZCTEOSA-N 1 2 337.416 2.020 40 0 EEABLO CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](COC)C(=O)OCC ZINC000005028381 210366483 /nfs/dbraw/zinc/36/64/83/210366483.db2.gz KWYHYTRGVRWJPI-INIZCTEOSA-N 1 2 337.416 2.020 40 0 EEABLO CCc1nnc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000192156892 276701530 /nfs/dbraw/zinc/70/15/30/276701530.db2.gz XRZNUUCRABDSJF-BLLLJJGKSA-N 1 2 334.807 2.347 40 0 EEABLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000077497509 278194192 /nfs/dbraw/zinc/19/41/92/278194192.db2.gz WKNIXKOLYSFDPO-GFCCVEGCSA-N 1 2 340.855 2.248 40 0 EEABLO O=C(OCc1ccnc(-n2cc[nH+]c2)c1)c1ncn(-c2ccccc2)n1 ZINC000091866823 462911997 /nfs/dbraw/zinc/91/19/97/462911997.db2.gz NWCXDPXPODDHJI-UHFFFAOYSA-N 1 2 346.350 2.205 40 0 EEABLO O=C(CN1c2cc(Cl)ccc2C2=[NH+]CCCN2C1=O)N1CCCC1 ZINC000019345947 463017683 /nfs/dbraw/zinc/01/76/83/463017683.db2.gz WHYDGPZBVHCWEJ-UHFFFAOYSA-N 1 2 346.818 2.355 40 0 EEABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)ccn1 ZINC000096041645 463146745 /nfs/dbraw/zinc/14/67/45/463146745.db2.gz FCKGMAJFEBFKAS-IPMKNSEASA-N 1 2 332.444 2.257 40 0 EEABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)ccn1 ZINC000096041645 463146751 /nfs/dbraw/zinc/14/67/51/463146751.db2.gz FCKGMAJFEBFKAS-IPMKNSEASA-N 1 2 332.444 2.257 40 0 EEABLO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096043273 463147203 /nfs/dbraw/zinc/14/72/03/463147203.db2.gz HVTXQHKSJOXDFA-CFVMTHIKSA-N 1 2 344.440 2.156 40 0 EEABLO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096043273 463147208 /nfs/dbraw/zinc/14/72/08/463147208.db2.gz HVTXQHKSJOXDFA-CFVMTHIKSA-N 1 2 344.440 2.156 40 0 EEABLO Fc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4ncccn4)C3)C2)cc1 ZINC000096074834 463167410 /nfs/dbraw/zinc/16/74/10/463167410.db2.gz FAFFUSQRIUEEEE-LJQANCHMSA-N 1 2 342.418 2.487 40 0 EEABLO Fc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4ncccn4)C3)C2)cc1 ZINC000096074834 463167415 /nfs/dbraw/zinc/16/74/15/463167415.db2.gz FAFFUSQRIUEEEE-LJQANCHMSA-N 1 2 342.418 2.487 40 0 EEABLO C[C@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1C1CCOCC1 ZINC000096111101 463179222 /nfs/dbraw/zinc/17/92/22/463179222.db2.gz UYHULRHAMLEDOG-AWEZNQCLSA-N 1 2 328.416 2.413 40 0 EEABLO C[C@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1C1CCOCC1 ZINC000096111101 463179228 /nfs/dbraw/zinc/17/92/28/463179228.db2.gz UYHULRHAMLEDOG-AWEZNQCLSA-N 1 2 328.416 2.413 40 0 EEABLO O=C(CC1CCCC1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188604 463200199 /nfs/dbraw/zinc/20/01/99/463200199.db2.gz MLBPKNMFSPKOLL-MRXNPFEDSA-N 1 2 327.432 2.319 40 0 EEABLO c1coc(CN2CCOC[C@]3(CC[N@H+](Cc4nccs4)C3)C2)c1 ZINC000096202199 463207606 /nfs/dbraw/zinc/20/76/06/463207606.db2.gz MDRRKXCARXMPBR-KRWDZBQOSA-N 1 2 333.457 2.461 40 0 EEABLO c1coc(CN2CCOC[C@]3(CC[N@@H+](Cc4nccs4)C3)C2)c1 ZINC000096202199 463207608 /nfs/dbraw/zinc/20/76/08/463207608.db2.gz MDRRKXCARXMPBR-KRWDZBQOSA-N 1 2 333.457 2.461 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)S1 ZINC000096426976 463256153 /nfs/dbraw/zinc/25/61/53/463256153.db2.gz OIKCNCQKCRKZAG-ZDUSSCGKSA-N 1 2 342.468 2.346 40 0 EEABLO C[C@H](C(=O)N(Cc1ccco1)C[C@H]1CCCO1)[NH+]1CCSCC1 ZINC000096486917 463285334 /nfs/dbraw/zinc/28/53/34/463285334.db2.gz ZEBJMBBADHDHQP-GDBMZVCRSA-N 1 2 338.473 2.225 40 0 EEABLO CC1(C)CN(S(=O)(=O)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000104765775 463421277 /nfs/dbraw/zinc/42/12/77/463421277.db2.gz BUAMVJHCSYUBFH-UHFFFAOYSA-N 1 2 345.468 2.367 40 0 EEABLO CC1(C)CN(S(=O)(=O)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000104765775 463421282 /nfs/dbraw/zinc/42/12/82/463421282.db2.gz BUAMVJHCSYUBFH-UHFFFAOYSA-N 1 2 345.468 2.367 40 0 EEABLO CC[C@H](Oc1cccc2ccccc21)C(=O)NCC[NH+]1CCOCC1 ZINC000044884903 463697471 /nfs/dbraw/zinc/69/74/71/463697471.db2.gz JPBJNDVYKYLGOS-SFHVURJKSA-N 1 2 342.439 2.446 40 0 EEABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc2c1CCCC2 ZINC000257278517 463757890 /nfs/dbraw/zinc/75/78/90/463757890.db2.gz OCOKYHRKQWOBKI-ICSRJNTNSA-N 1 2 344.455 2.120 40 0 EEABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc2c1CCCC2 ZINC000257278517 463757896 /nfs/dbraw/zinc/75/78/96/463757896.db2.gz OCOKYHRKQWOBKI-ICSRJNTNSA-N 1 2 344.455 2.120 40 0 EEABLO Cc1csc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)c1 ZINC000257284526 463761231 /nfs/dbraw/zinc/76/12/31/463761231.db2.gz PDASATMLICTRQD-QGZVFWFLSA-N 1 2 331.441 2.213 40 0 EEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)[nH+]1 ZINC000257283377 463762159 /nfs/dbraw/zinc/76/21/59/463762159.db2.gz OYAJUXHKCKNSMV-CYBMUJFWSA-N 1 2 340.383 2.183 40 0 EEABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(N(C)C)n3)C2)c(C)n1 ZINC000257290607 463764159 /nfs/dbraw/zinc/76/41/59/463764159.db2.gz QDOJNNKDJRUECO-QGZVFWFLSA-N 1 2 329.448 2.246 40 0 EEABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(N(C)C)n3)C2)c(C)n1 ZINC000257290607 463764167 /nfs/dbraw/zinc/76/41/67/463764167.db2.gz QDOJNNKDJRUECO-QGZVFWFLSA-N 1 2 329.448 2.246 40 0 EEABLO Cn1ccnc1C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257326712 463779892 /nfs/dbraw/zinc/77/98/92/463779892.db2.gz WYHMALCHILUNTK-HKUYNNGSSA-N 1 2 327.428 2.370 40 0 EEABLO Cn1ccnc1C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257326712 463779895 /nfs/dbraw/zinc/77/98/95/463779895.db2.gz WYHMALCHILUNTK-HKUYNNGSSA-N 1 2 327.428 2.370 40 0 EEABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccnc(NC(C)=O)c2)cc[nH+]1 ZINC000257331425 463780643 /nfs/dbraw/zinc/78/06/43/463780643.db2.gz XSULMJBRVBTIHI-HNNXBMFYSA-N 1 2 339.399 2.454 40 0 EEABLO CNc1cc([C@H]2CCCN2C(=O)c2ccnc(NC(C)=O)c2)cc[nH+]1 ZINC000257331426 463781199 /nfs/dbraw/zinc/78/11/99/463781199.db2.gz XSULMJBRVBTIHI-OAHLLOKOSA-N 1 2 339.399 2.454 40 0 EEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)[nH+]1 ZINC000257342663 463787843 /nfs/dbraw/zinc/78/78/43/463787843.db2.gz ZPQBNLVJGJACAM-CYBMUJFWSA-N 1 2 326.400 2.327 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cn1 ZINC000248090566 464729732 /nfs/dbraw/zinc/72/97/32/464729732.db2.gz CEAHPMNCCSPHRP-IPMKNSEASA-N 1 2 342.443 2.011 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cn1 ZINC000248090566 464729739 /nfs/dbraw/zinc/72/97/39/464729739.db2.gz CEAHPMNCCSPHRP-IPMKNSEASA-N 1 2 342.443 2.011 40 0 EEABLO CC[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575421374 468143675 /nfs/dbraw/zinc/14/36/75/468143675.db2.gz PLAZFOGHFMPBPF-ZWKOTPCHSA-N 1 2 345.464 2.256 40 0 EEABLO CC[N@@H+](C(c1ccccc1)c1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575421374 468143682 /nfs/dbraw/zinc/14/36/82/468143682.db2.gz PLAZFOGHFMPBPF-ZWKOTPCHSA-N 1 2 345.464 2.256 40 0 EEABLO Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575422788 468143855 /nfs/dbraw/zinc/14/38/55/468143855.db2.gz WLZKROGEWHPAKK-RTBURBONSA-N 1 2 345.464 2.155 40 0 EEABLO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575422788 468143858 /nfs/dbraw/zinc/14/38/58/468143858.db2.gz WLZKROGEWHPAKK-RTBURBONSA-N 1 2 345.464 2.155 40 0 EEABLO CCN1CC[C@@]2(C[N@H+](Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O ZINC000585093092 468962569 /nfs/dbraw/zinc/96/25/69/468962569.db2.gz BPABGEVYQRRLDP-QGZVFWFLSA-N 1 2 338.398 2.259 40 0 EEABLO CCN1CC[C@@]2(C[N@@H+](Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O ZINC000585093092 468962575 /nfs/dbraw/zinc/96/25/75/468962575.db2.gz BPABGEVYQRRLDP-QGZVFWFLSA-N 1 2 338.398 2.259 40 0 EEABLO COCCc1c[nH+]c2n1CCN(C(=O)COc1ccccc1C)[C@H]2C ZINC000585097526 468965189 /nfs/dbraw/zinc/96/51/89/468965189.db2.gz LAPXFJISBJIDEK-HNNXBMFYSA-N 1 2 343.427 2.363 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)n(C)n1 ZINC000585103405 468970476 /nfs/dbraw/zinc/97/04/76/468970476.db2.gz AYXPHAYKSUVXHR-KRWDZBQOSA-N 1 2 344.484 2.400 40 0 EEABLO Cc1cc(O[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc(C)c1Cl ZINC000408705986 534032416 /nfs/dbraw/zinc/03/24/16/534032416.db2.gz SCAXHGQKWUSYCV-CQSZACIVSA-N 1 2 340.851 2.173 40 0 EEABLO CNc1cc([C@H]2C[N@H+](CCOc3ccccc3)CCO2)nc(C)n1 ZINC000072387842 216187756 /nfs/dbraw/zinc/18/77/56/216187756.db2.gz TUDKYVQJADXUPL-QGZVFWFLSA-N 1 2 328.416 2.279 40 0 EEABLO CNc1cc([C@H]2C[N@@H+](CCOc3ccccc3)CCO2)nc(C)n1 ZINC000072387842 216187760 /nfs/dbraw/zinc/18/77/60/216187760.db2.gz TUDKYVQJADXUPL-QGZVFWFLSA-N 1 2 328.416 2.279 40 0 EEABLO Cc1ccc2oc(C(=O)N3CCN(C4=[NH+]C[C@@H](C)S4)CC3)cc2n1 ZINC000073118507 216352533 /nfs/dbraw/zinc/35/25/33/216352533.db2.gz AKKCMOBYJXFPCI-GFCCVEGCSA-N 1 2 344.440 2.385 40 0 EEABLO Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)C[N@H+](Cc1cccs1)C2 ZINC000248077480 243518718 /nfs/dbraw/zinc/51/87/18/243518718.db2.gz ZSONWOQTTXXYAB-HNNXBMFYSA-N 1 2 344.484 2.497 40 0 EEABLO Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)C[N@@H+](Cc1cccs1)C2 ZINC000248077480 243518726 /nfs/dbraw/zinc/51/87/26/243518726.db2.gz ZSONWOQTTXXYAB-HNNXBMFYSA-N 1 2 344.484 2.497 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(Cc3csc(C)n3)CC[N@@H+]2C)c1 ZINC000257217654 244172922 /nfs/dbraw/zinc/17/29/22/244172922.db2.gz CZYPMEAQJWNGJX-QGZVFWFLSA-N 1 2 344.484 2.300 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(Cc3csc(C)n3)CC[N@H+]2C)c1 ZINC000257217654 244172927 /nfs/dbraw/zinc/17/29/27/244172927.db2.gz CZYPMEAQJWNGJX-QGZVFWFLSA-N 1 2 344.484 2.300 40 0 EEABLO Cc1cc(C)nc([C@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257218227 244174182 /nfs/dbraw/zinc/17/41/82/244174182.db2.gz DCIJAESNWBOGIC-GOSISDBHSA-N 1 2 343.427 2.038 40 0 EEABLO Cc1cc(C)nc([C@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257218227 244174191 /nfs/dbraw/zinc/17/41/91/244174191.db2.gz DCIJAESNWBOGIC-GOSISDBHSA-N 1 2 343.427 2.038 40 0 EEABLO COc1ccc([C@@H]2C[N@H+](Cc3cnc(N(C)C)nc3)CCN2C)cc1 ZINC000257276003 244392758 /nfs/dbraw/zinc/39/27/58/244392758.db2.gz NRYSLJWWQXANNS-SFHVURJKSA-N 1 2 341.459 2.040 40 0 EEABLO COc1ccc([C@@H]2C[N@@H+](Cc3cnc(N(C)C)nc3)CCN2C)cc1 ZINC000257276003 244392763 /nfs/dbraw/zinc/39/27/63/244392763.db2.gz NRYSLJWWQXANNS-SFHVURJKSA-N 1 2 341.459 2.040 40 0 EEABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 ZINC000019706149 212055883 /nfs/dbraw/zinc/05/58/83/212055883.db2.gz YHTIFZLTPHPIBV-INIZCTEOSA-N 1 2 345.491 2.400 40 0 EEABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 ZINC000019706149 212055885 /nfs/dbraw/zinc/05/58/85/212055885.db2.gz YHTIFZLTPHPIBV-INIZCTEOSA-N 1 2 345.491 2.400 40 0 EEABLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cnccn1 ZINC000078917067 217147134 /nfs/dbraw/zinc/14/71/34/217147134.db2.gz SEZKBDDMJMBLGI-LBPRGKRZSA-N 1 2 332.354 2.149 40 0 EEABLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cnccn1 ZINC000078917067 217147136 /nfs/dbraw/zinc/14/71/36/217147136.db2.gz SEZKBDDMJMBLGI-LBPRGKRZSA-N 1 2 332.354 2.149 40 0 EEABLO COC(=O)[C@H]1CCCCN1C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000132991957 284320566 /nfs/dbraw/zinc/32/05/66/284320566.db2.gz YMSHFVAQULBBGM-MRXNPFEDSA-N 1 2 329.400 2.289 40 0 EEABLO COc1cccc([C@H](NC(=O)N2CCCC2)c2[nH+]ccn2C)c1OC ZINC000012114966 211293738 /nfs/dbraw/zinc/29/37/38/211293738.db2.gz JJVGUTYEXGCFLJ-HNNXBMFYSA-N 1 2 344.415 2.332 40 0 EEABLO COc1cc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)ccc1F ZINC000190826636 533100657 /nfs/dbraw/zinc/10/06/57/533100657.db2.gz YRLZLELSWBKCSE-UHFFFAOYSA-N 1 2 341.408 2.165 40 0 EEABLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000056997253 132198333 /nfs/dbraw/zinc/19/83/33/132198333.db2.gz BSFVYHLDEBKKLR-UHFFFAOYSA-N 1 2 333.432 2.439 40 0 EEABLO CCS(=O)(=O)c1ccccc1N1C[C@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000195576249 280034579 /nfs/dbraw/zinc/03/45/79/280034579.db2.gz HUZFOVAWLIRICN-GJZGRUSLSA-N 1 2 340.489 2.026 40 0 EEABLO O=C(c1c[nH]cn1)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239627 280158416 /nfs/dbraw/zinc/15/84/16/280158416.db2.gz HFUDEGTYXFWYSA-INIZCTEOSA-N 1 2 347.369 2.183 40 0 EEABLO COc1ccc(C)cc1CC(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257224833 295104974 /nfs/dbraw/zinc/10/49/74/295104974.db2.gz FDPZIVLYWNWMDT-HNNXBMFYSA-N 1 2 329.400 2.178 40 0 EEABLO Cc1ccccc1C(=O)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000085473321 462550654 /nfs/dbraw/zinc/55/06/54/462550654.db2.gz CQKLRAICHJMBGJ-INIZCTEOSA-N 1 2 334.485 2.275 40 0 EEABLO C[C@@H]1CCCCN1C(=O)CN1c2ccccc2C2=[NH+]CCN2C1=O ZINC000012182975 462847452 /nfs/dbraw/zinc/84/74/52/462847452.db2.gz RQDKZCUYIUSPAK-CYBMUJFWSA-N 1 2 326.400 2.090 40 0 EEABLO CNc1snc(C)c1C(=O)N1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000155736431 462935863 /nfs/dbraw/zinc/93/58/63/462935863.db2.gz XQVVBAZWLQLNMN-CYBMUJFWSA-N 1 2 345.472 2.407 40 0 EEABLO c1cncc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096041788 463146802 /nfs/dbraw/zinc/14/68/02/463146802.db2.gz KTHQSUPJRUFUFT-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO c1cncc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096041788 463146808 /nfs/dbraw/zinc/14/68/08/463146808.db2.gz KTHQSUPJRUFUFT-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO O=C(c1ccsc1)N1CCO[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096108079 463175179 /nfs/dbraw/zinc/17/51/79/463175179.db2.gz XCAVFJFWQMCLEG-ZIAGYGMSSA-N 1 2 349.481 2.178 40 0 EEABLO O=C(c1ccsc1)N1CCO[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096108079 463175185 /nfs/dbraw/zinc/17/51/85/463175185.db2.gz XCAVFJFWQMCLEG-ZIAGYGMSSA-N 1 2 349.481 2.178 40 0 EEABLO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443468 463268097 /nfs/dbraw/zinc/26/80/97/463268097.db2.gz VWHAIBXPNKBKCV-CHWSQXEVSA-N 1 2 333.457 2.064 40 0 EEABLO Cc1nc(N2CCN(C(=O)NC[C@@H](C)c3cccs3)CC2)cc[nH+]1 ZINC000097376452 463357195 /nfs/dbraw/zinc/35/71/95/463357195.db2.gz PZWRAYSMNUUMCE-CYBMUJFWSA-N 1 2 345.472 2.482 40 0 EEABLO O=C(CCn1ncc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000040758139 463463859 /nfs/dbraw/zinc/46/38/59/463463859.db2.gz VAUVTSFWXVFXOW-UHFFFAOYSA-N 1 2 335.411 2.170 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)[nH+]1 ZINC000257318189 463775582 /nfs/dbraw/zinc/77/55/82/463775582.db2.gz VMWHDFZZFBNJCR-HNNXBMFYSA-N 1 2 329.448 2.407 40 0 EEABLO COc1cc(CCC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)on1 ZINC000257328989 463779802 /nfs/dbraw/zinc/77/98/02/463779802.db2.gz XHYBWHLAEYPVPC-AWEZNQCLSA-N 1 2 344.415 2.138 40 0 EEABLO Cc1cccc([C@@H](O)CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000277835912 463934230 /nfs/dbraw/zinc/93/42/30/463934230.db2.gz PXJRCDJWHJVTFD-HNNXBMFYSA-N 1 2 330.457 2.484 40 0 EEABLO Cc1cccc([C@@H](O)CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000277835912 463934235 /nfs/dbraw/zinc/93/42/35/463934235.db2.gz PXJRCDJWHJVTFD-HNNXBMFYSA-N 1 2 330.457 2.484 40 0 EEABLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000195564307 464077499 /nfs/dbraw/zinc/07/74/99/464077499.db2.gz AQZAANGYLNQPRG-GXTWGEPZSA-N 1 2 346.349 2.330 40 0 EEABLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000195564307 464077504 /nfs/dbraw/zinc/07/75/04/464077504.db2.gz AQZAANGYLNQPRG-GXTWGEPZSA-N 1 2 346.349 2.330 40 0 EEABLO CCc1ncnc(N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)c1F ZINC000225575399 464173765 /nfs/dbraw/zinc/17/37/65/464173765.db2.gz OFZUTNHDXTWSGD-LBPRGKRZSA-N 1 2 331.395 2.297 40 0 EEABLO c1nc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n(-c2ccccc2)n1 ZINC000253396346 465000074 /nfs/dbraw/zinc/00/00/74/465000074.db2.gz AJBBMKXNWHVGSB-HNNXBMFYSA-N 1 2 349.442 2.185 40 0 EEABLO c1nc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n(-c2ccccc2)n1 ZINC000253396346 465000076 /nfs/dbraw/zinc/00/00/76/465000076.db2.gz AJBBMKXNWHVGSB-HNNXBMFYSA-N 1 2 349.442 2.185 40 0 EEABLO CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@]12CCN(C(=O)NC1CC1)C2 ZINC000306143622 466494194 /nfs/dbraw/zinc/49/41/94/466494194.db2.gz YHAHWYYQMUUPTO-HKUYNNGSSA-N 1 2 329.444 2.396 40 0 EEABLO CC[N@H+]1C[C@@H](c2ccccc2)OC[C@@]12CCN(C(=O)NC1CC1)C2 ZINC000306143622 466494200 /nfs/dbraw/zinc/49/42/00/466494200.db2.gz YHAHWYYQMUUPTO-HKUYNNGSSA-N 1 2 329.444 2.396 40 0 EEABLO Cc1ncoc1C(=O)N1CCn2c(CCOCC3CC3)c[nH+]c2[C@H]1C ZINC000585097067 468965874 /nfs/dbraw/zinc/96/58/74/468965874.db2.gz FIWRNIUYNNQEQW-CYBMUJFWSA-N 1 2 344.415 2.366 40 0 EEABLO COCCc1c[nH+]c2n1CCN(C(=O)Cc1cccc(F)c1)[C@H]2C ZINC000585098003 468967377 /nfs/dbraw/zinc/96/73/77/468967377.db2.gz QHBIDVSBWJMCOX-ZDUSSCGKSA-N 1 2 331.391 2.357 40 0 EEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCn2ncc3ccccc32)[nH+]1 ZINC000585181467 468995549 /nfs/dbraw/zinc/99/55/49/468995549.db2.gz UEQBAAWFZSNQDP-MRXNPFEDSA-N 1 2 339.399 2.058 40 0 EEABLO COc1ccc([C@H]2CN(Cc3[nH]c[nH+]c3C)CCN2C(C)=O)cc1 ZINC000257244118 536944676 /nfs/dbraw/zinc/94/46/76/536944676.db2.gz IJXYZTFZYBKUQS-GOSISDBHSA-N 1 2 328.416 2.132 40 0 EEABLO C[C@H]1C[N@H+](CCNC(=O)Nc2cscc2Br)CCO1 ZINC000931626580 1207428141 /nfs/dbraw/zinc/42/81/41/1207428141.db2.gz DJQPHMMIQIKEAE-VIFPVBQESA-N 1 2 348.266 2.353 40 0 EEABLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cscc2Br)CCO1 ZINC000931626580 1207428142 /nfs/dbraw/zinc/42/81/42/1207428142.db2.gz DJQPHMMIQIKEAE-VIFPVBQESA-N 1 2 348.266 2.353 40 0 EEABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000072355721 216164576 /nfs/dbraw/zinc/16/45/76/216164576.db2.gz SZNMOWZLADSXKL-MRXNPFEDSA-N 1 2 330.819 2.343 40 0 EEABLO NC(=O)C[N@H+]1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000072355721 216164578 /nfs/dbraw/zinc/16/45/78/216164578.db2.gz SZNMOWZLADSXKL-MRXNPFEDSA-N 1 2 330.819 2.343 40 0 EEABLO Cc1cc(C)nc(N2CCC(c3cncc(-n4cc[nH+]c4)n3)CC2)n1 ZINC000072369171 216176107 /nfs/dbraw/zinc/17/61/07/216176107.db2.gz XIEAYBTVOIPEOK-UHFFFAOYSA-N 1 2 335.415 2.453 40 0 EEABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ccnc(C)n2)cc1 ZINC000257230827 244212311 /nfs/dbraw/zinc/21/23/11/244212311.db2.gz GECAIIOTVJFVJN-QGZVFWFLSA-N 1 2 349.394 2.387 40 0 EEABLO O=C1[C@H](N2CC[NH+](Cc3cccnc3)CC2)CCN1c1ccccc1 ZINC000079035282 217178538 /nfs/dbraw/zinc/17/85/38/217178538.db2.gz ORJGKEYQKAMNAH-LJQANCHMSA-N 1 2 336.439 2.005 40 0 EEABLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3cc(C)on3)CC2)c1 ZINC000081349262 217386146 /nfs/dbraw/zinc/38/61/46/217386146.db2.gz ODGMFYCIERRGLT-HNNXBMFYSA-N 1 2 343.427 2.440 40 0 EEABLO Cc1nc(N2CCC(NC(=O)c3cccnc3)CC2)c(C)c(C)[nH+]1 ZINC000095416510 218354842 /nfs/dbraw/zinc/35/48/42/218354842.db2.gz NUBGWNQUDIAHJX-UHFFFAOYSA-N 1 2 325.416 2.196 40 0 EEABLO COc1cccc(CC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000131233016 533447860 /nfs/dbraw/zinc/44/78/60/533447860.db2.gz RGPRCHMLSQCJNG-MRXNPFEDSA-N 1 2 325.412 2.418 40 0 EEABLO CC(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000056945897 132198281 /nfs/dbraw/zinc/19/82/81/132198281.db2.gz MJWWBWSPPBJCIH-QGZVFWFLSA-N 1 2 331.391 2.418 40 0 EEABLO CN(C)C(=O)c1cncc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)c1 ZINC000530250004 317704664 /nfs/dbraw/zinc/70/46/64/317704664.db2.gz KRBWYSVJOCESBV-INIZCTEOSA-N 1 2 326.400 2.436 40 0 EEABLO Cc1cccc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)n1 ZINC000096074837 463167625 /nfs/dbraw/zinc/16/76/25/463167625.db2.gz LXBXHIPVZTZKFB-LJQANCHMSA-N 1 2 339.443 2.051 40 0 EEABLO Cc1cccc(C[N@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)n1 ZINC000096074837 463167633 /nfs/dbraw/zinc/16/76/33/463167633.db2.gz LXBXHIPVZTZKFB-LJQANCHMSA-N 1 2 339.443 2.051 40 0 EEABLO Cn1cncc1C[N@@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC000096082544 463170196 /nfs/dbraw/zinc/17/01/96/463170196.db2.gz MXKPMVVSWDMMLY-UKPHBRMFSA-N 1 2 348.472 2.073 40 0 EEABLO Cn1cncc1C[N@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC000096082544 463170202 /nfs/dbraw/zinc/17/02/02/463170202.db2.gz MXKPMVVSWDMMLY-UKPHBRMFSA-N 1 2 348.472 2.073 40 0 EEABLO Cn1c[nH+]cc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC000096082544 463170206 /nfs/dbraw/zinc/17/02/06/463170206.db2.gz MXKPMVVSWDMMLY-UKPHBRMFSA-N 1 2 348.472 2.073 40 0 EEABLO Cn1ncc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)c1Cl ZINC000096181059 463193922 /nfs/dbraw/zinc/19/39/22/463193922.db2.gz JNHXWQMKOHXUPS-UHFFFAOYSA-N 1 2 336.798 2.171 40 0 EEABLO C[N@@H+](Cc1cn2c(n1)CN(c1ncc(F)cn1)CC2)Cc1ccco1 ZINC000096197473 463202819 /nfs/dbraw/zinc/20/28/19/463202819.db2.gz AAKKSKNVAHNIKE-UHFFFAOYSA-N 1 2 342.378 2.057 40 0 EEABLO C[N@H+](Cc1cn2c(n1)CN(c1ncc(F)cn1)CC2)Cc1ccco1 ZINC000096197473 463202823 /nfs/dbraw/zinc/20/28/23/463202823.db2.gz AAKKSKNVAHNIKE-UHFFFAOYSA-N 1 2 342.378 2.057 40 0 EEABLO Cc1ccc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3[C@@H]2C)cn1 ZINC000096201260 463205898 /nfs/dbraw/zinc/20/58/98/463205898.db2.gz QNXINUXCJLCRJP-AWEZNQCLSA-N 1 2 336.399 2.048 40 0 EEABLO COC(C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1)OC ZINC000136748742 463257265 /nfs/dbraw/zinc/25/72/65/463257265.db2.gz SUGFCBJVPYGRPA-ZDUSSCGKSA-N 1 2 330.222 2.441 40 0 EEABLO COC(C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1)OC ZINC000136748742 463257267 /nfs/dbraw/zinc/25/72/67/463257267.db2.gz SUGFCBJVPYGRPA-ZDUSSCGKSA-N 1 2 330.222 2.441 40 0 EEABLO Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1-n1cnnn1 ZINC000096427410 463257292 /nfs/dbraw/zinc/25/72/92/463257292.db2.gz IINZEFKDGONITO-UHFFFAOYSA-N 1 2 337.309 2.342 40 0 EEABLO O=C(C1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1)N1CCOCC1 ZINC000096444913 463269379 /nfs/dbraw/zinc/26/93/79/463269379.db2.gz NOUYCKOZALNWKB-UHFFFAOYSA-N 1 2 343.349 2.176 40 0 EEABLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)N[C@@H]1COc2ccccc2C1 ZINC000096495957 463289053 /nfs/dbraw/zinc/28/90/53/463289053.db2.gz HPXQVQWXXLPHFX-AWEZNQCLSA-N 1 2 342.361 2.381 40 0 EEABLO C[C@@H](CNC(=O)Cc1cnc2ccccc2c1)[N@@H+]1CCOC[C@@H]1C ZINC000097104060 463324868 /nfs/dbraw/zinc/32/48/68/463324868.db2.gz WXOUGIXZRHVXFE-GJZGRUSLSA-N 1 2 327.428 2.003 40 0 EEABLO C[C@@H](CNC(=O)Cc1cnc2ccccc2c1)[N@H+]1CCOC[C@@H]1C ZINC000097104060 463324871 /nfs/dbraw/zinc/32/48/71/463324871.db2.gz WXOUGIXZRHVXFE-GJZGRUSLSA-N 1 2 327.428 2.003 40 0 EEABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@@H+]2Cc2ccccn2)cc1 ZINC000257234049 463758761 /nfs/dbraw/zinc/75/87/61/463758761.db2.gz GRWOPQBPJKHYLE-LJQANCHMSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@H+]2Cc2ccccn2)cc1 ZINC000257234049 463758765 /nfs/dbraw/zinc/75/87/65/463758765.db2.gz GRWOPQBPJKHYLE-LJQANCHMSA-N 1 2 325.412 2.496 40 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HCGKQRNXCPXCGM-UHFFFAOYSA-N 1 2 332.194 2.196 40 0 EEABLO CC(C)n1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000265377615 464538721 /nfs/dbraw/zinc/53/87/21/464538721.db2.gz ZZWMKCSZIVWSCF-OAHLLOKOSA-N 1 2 327.432 2.378 40 0 EEABLO Cn1cc[nH+]c1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC000248138981 464734189 /nfs/dbraw/zinc/73/41/89/464734189.db2.gz PPKNSRQIXOFBHT-JJRVBVJISA-N 1 2 348.472 2.073 40 0 EEABLO Cc1n[nH]cc1CNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000298670222 465467597 /nfs/dbraw/zinc/46/75/97/465467597.db2.gz GJLAPHQSZOAYRH-UHFFFAOYSA-N 1 2 347.850 2.399 40 0 EEABLO Cn1nccc1C(=O)N1C[C@@H]2c3[nH+]cc(-c4ccsc4)n3C[C@@H]2C1 ZINC000306136769 466491493 /nfs/dbraw/zinc/49/14/93/466491493.db2.gz QCUCKULXDDTSNB-STQMWFEESA-N 1 2 339.424 2.215 40 0 EEABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)COc1cccc(Cl)c1 ZINC000585094672 468963481 /nfs/dbraw/zinc/96/34/81/468963481.db2.gz GSCGVCUCOXJBMC-ZDUSSCGKSA-N 1 2 349.818 2.052 40 0 EEABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3C[C@H]2COc2ncccn2)o1 ZINC000585095021 468964487 /nfs/dbraw/zinc/96/44/87/468964487.db2.gz ZZLPANWMGGJHDD-AWEZNQCLSA-N 1 2 339.399 2.117 40 0 EEABLO CO[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1Cc1ccccc1F ZINC000585277800 469002945 /nfs/dbraw/zinc/00/29/45/469002945.db2.gz PGFMPXJCZWBGCD-WBVHZDCISA-N 1 2 331.391 2.128 40 0 EEABLO CCCCc1[nH]c(CN2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)c[nH+]1 ZINC000257237252 535102700 /nfs/dbraw/zinc/10/27/00/535102700.db2.gz HFTLVLRJYZEDFI-HNNXBMFYSA-N 1 2 331.420 2.130 40 0 EEABLO CCCCc1[nH]cc(CN2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)[nH+]1 ZINC000257237252 535102702 /nfs/dbraw/zinc/10/27/02/535102702.db2.gz HFTLVLRJYZEDFI-HNNXBMFYSA-N 1 2 331.420 2.130 40 0 EEABLO Cc1cc(C[C@@H](C)NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)n[nH]1 ZINC000178183255 232103039 /nfs/dbraw/zinc/10/30/39/232103039.db2.gz GULGIUMWPVQGNW-CQSZACIVSA-N 1 2 341.459 2.385 40 0 EEABLO Cc1cccc(Oc2nccnc2[C@H]2CCC[N@H+](CC(N)=O)C2)c1 ZINC000072361828 216168884 /nfs/dbraw/zinc/16/88/84/216168884.db2.gz HCLFXIKCQFLFGC-AWEZNQCLSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1cccc(Oc2nccnc2[C@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000072361828 216168887 /nfs/dbraw/zinc/16/88/87/216168887.db2.gz HCLFXIKCQFLFGC-AWEZNQCLSA-N 1 2 326.400 2.242 40 0 EEABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Cc1ccc(F)cc1 ZINC000207982474 241063425 /nfs/dbraw/zinc/06/34/25/241063425.db2.gz NOJNFFDMQHMRPS-UHFFFAOYSA-N 1 2 343.406 2.463 40 0 EEABLO Cc1ccn(CCC(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257225352 244197064 /nfs/dbraw/zinc/19/70/64/244197064.db2.gz FFVTYNJIJWAOAA-KRWDZBQOSA-N 1 2 341.459 2.449 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)Cc2cccnc2)CC[N@@H+]1C ZINC000257231759 244215418 /nfs/dbraw/zinc/21/54/18/244215418.db2.gz GIBMUSZFVIHYCF-QGZVFWFLSA-N 1 2 325.412 2.148 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)Cc2cccnc2)CC[N@H+]1C ZINC000257231759 244215425 /nfs/dbraw/zinc/21/54/25/244215425.db2.gz GIBMUSZFVIHYCF-QGZVFWFLSA-N 1 2 325.412 2.148 40 0 EEABLO CCn1cc(C(=O)N2CC[N@H+](Cc3cccc(OC)c3)C[C@@H]2C)cn1 ZINC000019524874 212038273 /nfs/dbraw/zinc/03/82/73/212038273.db2.gz LOGXXWAQRMDIPX-HNNXBMFYSA-N 1 2 342.443 2.258 40 0 EEABLO CCn1cc(C(=O)N2CC[N@@H+](Cc3cccc(OC)c3)C[C@@H]2C)cn1 ZINC000019524874 212038276 /nfs/dbraw/zinc/03/82/76/212038276.db2.gz LOGXXWAQRMDIPX-HNNXBMFYSA-N 1 2 342.443 2.258 40 0 EEABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccccc1F ZINC000012114400 211293114 /nfs/dbraw/zinc/29/31/14/211293114.db2.gz VXKODCDSUXVGFT-UHFFFAOYSA-N 1 2 329.375 2.143 40 0 EEABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCCOC)C1 ZINC000012145831 211306783 /nfs/dbraw/zinc/30/67/83/211306783.db2.gz AAINBSGCRZREMU-OAHLLOKOSA-N 1 2 344.459 2.425 40 0 EEABLO COc1ccccc1CN1CCc2c(N)nc(N3CCCC3)[nH+]c2C1 ZINC000012142838 211305416 /nfs/dbraw/zinc/30/54/16/211305416.db2.gz PLTYBITYBIHLFX-UHFFFAOYSA-N 1 2 339.443 2.226 40 0 EEABLO COc1ccccc1C[N@@H+]1CCc2c(N)nc(N3CCCC3)nc2C1 ZINC000012142838 211305419 /nfs/dbraw/zinc/30/54/19/211305419.db2.gz PLTYBITYBIHLFX-UHFFFAOYSA-N 1 2 339.443 2.226 40 0 EEABLO COc1ccccc1C[N@H+]1CCc2c(N)nc(N3CCCC3)nc2C1 ZINC000012142838 211305422 /nfs/dbraw/zinc/30/54/22/211305422.db2.gz PLTYBITYBIHLFX-UHFFFAOYSA-N 1 2 339.443 2.226 40 0 EEABLO COC(=O)[C@H](C)CN(Cc1ccccc1)c1[nH+]cnc2c1cnn2C ZINC000097229086 291703863 /nfs/dbraw/zinc/70/38/63/291703863.db2.gz IWEVETXEOFAZQE-CYBMUJFWSA-N 1 2 339.399 2.179 40 0 EEABLO NC(=O)N1CCC[N@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC000096452794 218836798 /nfs/dbraw/zinc/83/67/98/218836798.db2.gz PRXLTXXHAGAUMI-UHFFFAOYSA-N 1 2 330.201 2.175 40 0 EEABLO NC(=O)N1CCC[N@@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC000096452794 218836799 /nfs/dbraw/zinc/83/67/99/218836799.db2.gz PRXLTXXHAGAUMI-UHFFFAOYSA-N 1 2 330.201 2.175 40 0 EEABLO Cn1cc(C(=O)N2Cc3c[nH+]cn3[C@@H](COCC3CCCC3)C2)cn1 ZINC000248144461 294218248 /nfs/dbraw/zinc/21/82/48/294218248.db2.gz RMWQVZMMBCMMKC-QGZVFWFLSA-N 1 2 343.431 2.021 40 0 EEABLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)o1 ZINC000007588190 462741561 /nfs/dbraw/zinc/74/15/61/462741561.db2.gz JDOITAABQUTJSF-UHFFFAOYSA-N 1 2 330.384 2.397 40 0 EEABLO COc1ccc(OCc2n[nH]c([C@@H]([NH3+])c3ccc(OC)cc3)n2)cc1 ZINC000095533690 463107339 /nfs/dbraw/zinc/10/73/39/463107339.db2.gz QPWKSYZGAIJUSA-KRWDZBQOSA-N 1 2 340.383 2.449 40 0 EEABLO Cc1noc(C)c1C[N@@H+]1CCc2c(CNC(=O)C3CC3)cncc2C1 ZINC000096189495 463201644 /nfs/dbraw/zinc/20/16/44/463201644.db2.gz LKOPNKKZJDIAGI-UHFFFAOYSA-N 1 2 340.427 2.271 40 0 EEABLO Cc1noc(C)c1C[N@H+]1CCc2c(CNC(=O)C3CC3)cncc2C1 ZINC000096189495 463201649 /nfs/dbraw/zinc/20/16/49/463201649.db2.gz LKOPNKKZJDIAGI-UHFFFAOYSA-N 1 2 340.427 2.271 40 0 EEABLO COCCN1CC[N@H+](Cc2c(C)noc2C)Cc2ccc(C)nc21 ZINC000096199025 463204413 /nfs/dbraw/zinc/20/44/13/463204413.db2.gz OKOQNKFGJSDZKT-UHFFFAOYSA-N 1 2 330.432 2.463 40 0 EEABLO COCCN1CC[N@@H+](Cc2c(C)noc2C)Cc2ccc(C)nc21 ZINC000096199025 463204418 /nfs/dbraw/zinc/20/44/18/463204418.db2.gz OKOQNKFGJSDZKT-UHFFFAOYSA-N 1 2 330.432 2.463 40 0 EEABLO O=C(c1ccc2[nH]ccc2c1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201114 463206117 /nfs/dbraw/zinc/20/61/17/463206117.db2.gz HJYBBPXLSFIEJR-UHFFFAOYSA-N 1 2 346.394 2.265 40 0 EEABLO Cc1noc(C)c1C[N@@H+]1CCO[C@]2(CCCN(c3nncs3)C2)C1 ZINC000096226616 463220775 /nfs/dbraw/zinc/22/07/75/463220775.db2.gz AHLKBJUPPJLFJO-MRXNPFEDSA-N 1 2 349.460 2.014 40 0 EEABLO Cc1noc(C)c1C[N@H+]1CCO[C@]2(CCCN(c3nncs3)C2)C1 ZINC000096226616 463220777 /nfs/dbraw/zinc/22/07/77/463220777.db2.gz AHLKBJUPPJLFJO-MRXNPFEDSA-N 1 2 349.460 2.014 40 0 EEABLO COc1ccc(OC)c(C[NH+]2CCN(c3nc(C)ns3)CC2)c1 ZINC000096427312 463256717 /nfs/dbraw/zinc/25/67/17/463256717.db2.gz ORJHNXUXXFRORJ-UHFFFAOYSA-N 1 2 334.445 2.186 40 0 EEABLO Cc1c(F)cccc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000096499986 463290229 /nfs/dbraw/zinc/29/02/29/463290229.db2.gz MQBQDHFCEBPJPT-UHFFFAOYSA-N 1 2 325.409 2.465 40 0 EEABLO COC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)c(Cl)c1 ZINC000069673905 463300944 /nfs/dbraw/zinc/30/09/44/463300944.db2.gz ILSMXZJVKBQLDB-UHFFFAOYSA-N 1 2 326.761 2.322 40 0 EEABLO Cn1cc[nH+]c1[C@@H](NC(=O)CCN1CCSC1=O)c1ccccc1 ZINC000044890787 463698595 /nfs/dbraw/zinc/69/85/95/463698595.db2.gz SFFFMBMZTHEYNZ-HNNXBMFYSA-N 1 2 344.440 2.185 40 0 EEABLO Cc1cnc(C(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)cn1 ZINC000257270990 463758937 /nfs/dbraw/zinc/75/89/37/463758937.db2.gz MWKQBCUXAWACHT-HNNXBMFYSA-N 1 2 325.416 2.266 40 0 EEABLO CCN(CC)S(=O)(=O)N1CCC[C@H](Cc2cccc(C)[nH+]2)C1 ZINC000257338183 463783920 /nfs/dbraw/zinc/78/39/20/463783920.db2.gz YWINOUMUMHDNEH-OAHLLOKOSA-N 1 2 325.478 2.231 40 0 EEABLO CCc1nc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cs1 ZINC000195575214 464080734 /nfs/dbraw/zinc/08/07/34/464080734.db2.gz UFSWHPDNIAXVMU-GFCCVEGCSA-N 1 2 333.461 2.316 40 0 EEABLO CCc1nc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cs1 ZINC000195575214 464080740 /nfs/dbraw/zinc/08/07/40/464080740.db2.gz UFSWHPDNIAXVMU-GFCCVEGCSA-N 1 2 333.461 2.316 40 0 EEABLO Cc1cc(S(=O)(=O)N2CCC(Cn3cc[nH+]c3)CC2)ccc1F ZINC000223810114 464146491 /nfs/dbraw/zinc/14/64/91/464146491.db2.gz FEOBPWWZVVFCSG-UHFFFAOYSA-N 1 2 337.420 2.432 40 0 EEABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000225479916 464163277 /nfs/dbraw/zinc/16/32/77/464163277.db2.gz CCSIQGXPJNCOTA-ZFWWWQNUSA-N 1 2 338.363 2.389 40 0 biogenic,in-vitro EEABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000225479916 464163283 /nfs/dbraw/zinc/16/32/83/464163283.db2.gz CCSIQGXPJNCOTA-ZFWWWQNUSA-N 1 2 338.363 2.389 40 0 biogenic,in-vitro EEABLO FCCn1ncnc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000241470674 464453188 /nfs/dbraw/zinc/45/31/88/464453188.db2.gz NWZATCPNVAHDPB-LLVKDONJSA-N 1 2 346.332 2.300 40 0 EEABLO FCCn1ncnc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000241470674 464453191 /nfs/dbraw/zinc/45/31/91/464453191.db2.gz NWZATCPNVAHDPB-LLVKDONJSA-N 1 2 346.332 2.300 40 0 EEABLO CCn1cc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CS3)cn1 ZINC000249697112 464904160 /nfs/dbraw/zinc/90/41/60/464904160.db2.gz UHQKGZLAYSXYTR-MRXNPFEDSA-N 1 2 330.457 2.437 40 0 EEABLO C[N@@H+]1CCC[C@H]1c1nc(C(=O)NCCc2cccnc2)c2ccccn21 ZINC000306144334 466494390 /nfs/dbraw/zinc/49/43/90/466494390.db2.gz ZCTXFINXTJXGMX-KRWDZBQOSA-N 1 2 349.438 2.469 40 0 EEABLO C[N@H+]1CCC[C@H]1c1nc(C(=O)NCCc2cccnc2)c2ccccn21 ZINC000306144334 466494399 /nfs/dbraw/zinc/49/43/99/466494399.db2.gz ZCTXFINXTJXGMX-KRWDZBQOSA-N 1 2 349.438 2.469 40 0 EEABLO Cc1cncc(OC[C@@H]2Cc3c([nH+]cn3C)CN2Cc2ccco2)n1 ZINC000585094751 468963472 /nfs/dbraw/zinc/96/34/72/468963472.db2.gz KNQCBVASDXEHHW-AWEZNQCLSA-N 1 2 339.399 2.117 40 0 EEABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc2ccccc2n1 ZINC000585094864 468963603 /nfs/dbraw/zinc/96/36/03/468963603.db2.gz QVAFOZKTAROVNB-CQSZACIVSA-N 1 2 336.395 2.182 40 0 EEABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc(OC)c(F)c1 ZINC000585094548 468963614 /nfs/dbraw/zinc/96/36/14/468963614.db2.gz AQUGSJBAOQKAQE-ZDUSSCGKSA-N 1 2 347.390 2.171 40 0 EEABLO O=C(c1cnccn1)N1Cc2c[nH+]cn2CC[C@H]1COc1ccccc1 ZINC000585097832 468965575 /nfs/dbraw/zinc/96/55/75/468965575.db2.gz RMSHWNQOGLCRHU-HNNXBMFYSA-N 1 2 349.394 2.167 40 0 EEABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@H+](Cc1ccccc1C)C2 ZINC000585112709 468975666 /nfs/dbraw/zinc/97/56/66/468975666.db2.gz UAZOYLQWYUQOMI-AWEZNQCLSA-N 1 2 343.427 2.306 40 0 EEABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@@H+](Cc1ccccc1C)C2 ZINC000585112709 468975673 /nfs/dbraw/zinc/97/56/73/468975673.db2.gz UAZOYLQWYUQOMI-AWEZNQCLSA-N 1 2 343.427 2.306 40 0 EEABLO Cc1nnc(CN(C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000952886895 796087759 /nfs/dbraw/zinc/08/77/59/796087759.db2.gz YHGFYEHRSBHHGE-UHFFFAOYSA-N 1 2 342.428 2.374 40 0 EEABLO O=C(NCCOc1ncccc1Cl)N[C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000096473499 237060708 /nfs/dbraw/zinc/06/07/08/237060708.db2.gz SBKMIWKRMUTWTC-ZIAGYGMSSA-N 1 2 349.822 2.403 40 0 EEABLO O=C(Cc1cccnc1)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072350631 216161673 /nfs/dbraw/zinc/16/16/73/216161673.db2.gz AHSQIHSYVCGDOY-UHFFFAOYSA-N 1 2 348.410 2.006 40 0 EEABLO COc1ccccc1C[N@@H+]1CCC[C@H]1c1n[nH]cc1C(=O)N(C)C ZINC000072351373 216161893 /nfs/dbraw/zinc/16/18/93/216161893.db2.gz AHOCSERJZYVJMQ-HNNXBMFYSA-N 1 2 328.416 2.457 40 0 EEABLO COc1ccccc1C[N@H+]1CCC[C@H]1c1n[nH]cc1C(=O)N(C)C ZINC000072351373 216161896 /nfs/dbraw/zinc/16/18/96/216161896.db2.gz AHOCSERJZYVJMQ-HNNXBMFYSA-N 1 2 328.416 2.457 40 0 EEABLO COc1ccccc1C[N@@H+]1CCC[C@H]1c1[nH]ncc1C(=O)N(C)C ZINC000072351373 216161897 /nfs/dbraw/zinc/16/18/97/216161897.db2.gz AHOCSERJZYVJMQ-HNNXBMFYSA-N 1 2 328.416 2.457 40 0 EEABLO COc1ccccc1C[N@H+]1CCC[C@H]1c1[nH]ncc1C(=O)N(C)C ZINC000072351373 216161900 /nfs/dbraw/zinc/16/19/00/216161900.db2.gz AHOCSERJZYVJMQ-HNNXBMFYSA-N 1 2 328.416 2.457 40 0 EEABLO Cc1ccc2oc(C(=O)N3CCN(C4=[NH+]C[C@H](C)S4)CC3)cc2n1 ZINC000073118504 216352124 /nfs/dbraw/zinc/35/21/24/216352124.db2.gz AKKCMOBYJXFPCI-LBPRGKRZSA-N 1 2 344.440 2.385 40 0 EEABLO c1ccc(CO[C@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)nc1 ZINC000247956527 243490861 /nfs/dbraw/zinc/49/08/61/243490861.db2.gz OMOCRJYKKWPPHW-SFHVURJKSA-N 1 2 325.412 2.427 40 0 EEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)[nH+]1 ZINC000257245334 244255980 /nfs/dbraw/zinc/25/59/80/244255980.db2.gz IPAAVWBAUXWTKU-GFCCVEGCSA-N 1 2 326.356 2.140 40 0 EEABLO C[C@@]1(C(=O)N2C[C@H](C[NH+]3CCOCC3)c3ccccc32)CCCO1 ZINC000019461223 212031038 /nfs/dbraw/zinc/03/10/38/212031038.db2.gz RJRVSTKNYNCLAU-KXBFYZLASA-N 1 2 330.428 2.018 40 0 EEABLO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000078643066 217092866 /nfs/dbraw/zinc/09/28/66/217092866.db2.gz HFTQVCLNXFAAIO-OAHLLOKOSA-N 1 2 337.851 2.246 40 0 EEABLO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000078643066 217092868 /nfs/dbraw/zinc/09/28/68/217092868.db2.gz HFTQVCLNXFAAIO-OAHLLOKOSA-N 1 2 337.851 2.246 40 0 EEABLO Cc1cc(OC(F)F)c(C(=O)NC[C@@H](C)[N@@H+]2CCOC[C@@H]2C)s1 ZINC000079310340 217206892 /nfs/dbraw/zinc/20/68/92/217206892.db2.gz KFBGHFLQPKFCRM-ZJUUUORDSA-N 1 2 348.415 2.497 40 0 EEABLO Cc1cc(OC(F)F)c(C(=O)NC[C@@H](C)[N@H+]2CCOC[C@@H]2C)s1 ZINC000079310340 217206894 /nfs/dbraw/zinc/20/68/94/217206894.db2.gz KFBGHFLQPKFCRM-ZJUUUORDSA-N 1 2 348.415 2.497 40 0 EEABLO C[C@@H](c1cccc(Cl)c1)N1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000096495471 296232501 /nfs/dbraw/zinc/23/25/01/296232501.db2.gz YBMCPHLJEGHQDP-BBRMVZONSA-N 1 2 342.892 2.206 40 0 EEABLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057363972 132200145 /nfs/dbraw/zinc/20/01/45/132200145.db2.gz ZXKVZWKPQWNGDK-CRAIPNDOSA-N 1 2 331.460 2.209 40 0 EEABLO CC[NH+](CC)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000026505230 279170159 /nfs/dbraw/zinc/17/01/59/279170159.db2.gz AQJRNGNTYRXNLF-KGLIPLIRSA-N 1 2 339.486 2.186 40 0 EEABLO Cc1cc(C)n(CC2CC[NH+](CC(=O)Nc3cc(C)on3)CC2)n1 ZINC000085436407 462547870 /nfs/dbraw/zinc/54/78/70/462547870.db2.gz SWRGMKQVMBLRIQ-UHFFFAOYSA-N 1 2 331.420 2.147 40 0 EEABLO CC[N@H+](CCCNC(=O)NCCC(=O)NC(C)C)c1ccccc1 ZINC000045126765 462561423 /nfs/dbraw/zinc/56/14/23/462561423.db2.gz IYUPKWIDJNSLTF-UHFFFAOYSA-N 1 2 334.464 2.117 40 0 EEABLO CC[N@@H+](CCCNC(=O)NCCC(=O)NC(C)C)c1ccccc1 ZINC000045126765 462561425 /nfs/dbraw/zinc/56/14/25/462561425.db2.gz IYUPKWIDJNSLTF-UHFFFAOYSA-N 1 2 334.464 2.117 40 0 EEABLO O=C(NCCCn1cc[nH+]c1)Nc1c[nH]c2ccc(F)cc2c1=O ZINC000013565949 462895328 /nfs/dbraw/zinc/89/53/28/462895328.db2.gz ODAKTSRQGCMHIR-UHFFFAOYSA-N 1 2 329.335 2.488 40 0 EEABLO CCN(C[C@H]1COc2ccccc2O1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077188452 462949994 /nfs/dbraw/zinc/94/99/94/462949994.db2.gz OWQPKPIEXBDSKM-AWEZNQCLSA-N 1 2 337.383 2.329 40 0 EEABLO CCC[NH+]1CCN(C(=O)CSc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000025854908 463142150 /nfs/dbraw/zinc/14/21/50/463142150.db2.gz UHXIQMKCSGOGSL-UHFFFAOYSA-N 1 2 345.472 2.118 40 0 EEABLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096109824 463178038 /nfs/dbraw/zinc/17/80/38/463178038.db2.gz WYRRVIFUTJREJZ-CQSZACIVSA-N 1 2 338.415 2.167 40 0 EEABLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096109824 463178041 /nfs/dbraw/zinc/17/80/41/463178041.db2.gz WYRRVIFUTJREJZ-CQSZACIVSA-N 1 2 338.415 2.167 40 0 EEABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NC1CCCCC1 ZINC000096112971 463179785 /nfs/dbraw/zinc/17/97/85/463179785.db2.gz CMOBABFQZSMOFM-ZWKOTPCHSA-N 1 2 343.471 2.387 40 0 biogenic,in-vitro EEABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NC1CCCCC1 ZINC000096112971 463179792 /nfs/dbraw/zinc/17/97/92/463179792.db2.gz CMOBABFQZSMOFM-ZWKOTPCHSA-N 1 2 343.471 2.387 40 0 biogenic,in-vitro EEABLO Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](Cn3cncn3)C2)s1 ZINC000096188616 463199872 /nfs/dbraw/zinc/19/98/72/463199872.db2.gz WNTBDIVBSBMGGO-CQSZACIVSA-N 1 2 328.445 2.177 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cncn3)C2)s1 ZINC000096188616 463199876 /nfs/dbraw/zinc/19/98/76/463199876.db2.gz WNTBDIVBSBMGGO-CQSZACIVSA-N 1 2 328.445 2.177 40 0 EEABLO O=C(c1cc[nH]n1)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239625 463224380 /nfs/dbraw/zinc/22/43/80/463224380.db2.gz OXEAGEKKKQEGOQ-INIZCTEOSA-N 1 2 347.369 2.183 40 0 EEABLO O=C(c1ccn[nH]1)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239625 463224383 /nfs/dbraw/zinc/22/43/83/463224383.db2.gz OXEAGEKKKQEGOQ-INIZCTEOSA-N 1 2 347.369 2.183 40 0 EEABLO O=C(c1c[nH]cn1)N1CCC(F)(F)[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239626 463224768 /nfs/dbraw/zinc/22/47/68/463224768.db2.gz HFUDEGTYXFWYSA-MRXNPFEDSA-N 1 2 347.369 2.183 40 0 EEABLO COC(C[NH+]1CCN(Cc2ccc(Br)s2)CC1)OC ZINC000136733486 463256396 /nfs/dbraw/zinc/25/63/96/463256396.db2.gz PCBUBCUCJUEXHY-UHFFFAOYSA-N 1 2 349.294 2.247 40 0 EEABLO O=C(CSC1=NCCS1)N1CC[NH+](Cc2cccs2)CC1 ZINC000073924288 463670711 /nfs/dbraw/zinc/67/07/11/463670711.db2.gz BRPCLZFYDHSPEL-UHFFFAOYSA-N 1 2 341.527 2.228 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)CCn3nccc3C)CC[N@@H+]2C)cc1 ZINC000257312658 463773707 /nfs/dbraw/zinc/77/37/07/463773707.db2.gz UOZYLCYJDSMQEM-SFHVURJKSA-N 1 2 342.443 2.106 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)CCn3nccc3C)CC[N@H+]2C)cc1 ZINC000257312658 463773710 /nfs/dbraw/zinc/77/37/10/463773710.db2.gz UOZYLCYJDSMQEM-SFHVURJKSA-N 1 2 342.443 2.106 40 0 EEABLO CN(C)c1nc(N(C)C)c(NC(=O)COc2ccc(Cl)cc2)c[nH+]1 ZINC000224350149 464151624 /nfs/dbraw/zinc/15/16/24/464151624.db2.gz YOMNLIUQYFDXLG-UHFFFAOYSA-N 1 2 349.822 2.280 40 0 EEABLO OC[C@H](CNc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000225480650 464163455 /nfs/dbraw/zinc/16/34/55/464163455.db2.gz IMXKEEPKZHMOLM-HNNXBMFYSA-N 1 2 330.457 2.218 40 0 EEABLO OC[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000225480650 464163466 /nfs/dbraw/zinc/16/34/66/464163466.db2.gz IMXKEEPKZHMOLM-HNNXBMFYSA-N 1 2 330.457 2.218 40 0 EEABLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000192061617 464857597 /nfs/dbraw/zinc/85/75/97/464857597.db2.gz CIOZFQXCPYEKNL-BBRMVZONSA-N 1 2 335.452 2.119 40 0 EEABLO Cc1ccc(C(=O)NCCNc2[nH+]cnc3c2cnn3C)c(Cl)c1 ZINC000252480479 464960379 /nfs/dbraw/zinc/96/03/79/464960379.db2.gz CAWYKVQLNLCEIA-UHFFFAOYSA-N 1 2 344.806 2.167 40 0 EEABLO CS(=O)(=O)N1CCC2(Cc3[nH+]cc(-c4ccsc4)n3C2)CC1 ZINC000306133921 466492266 /nfs/dbraw/zinc/49/22/66/466492266.db2.gz MZFUFVGTKNCPPS-UHFFFAOYSA-N 1 2 337.470 2.210 40 0 EEABLO CCc1nc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)no1 ZINC000585289021 469009620 /nfs/dbraw/zinc/00/96/20/469009620.db2.gz CXJJSWKBBWYUHS-HDMKZQKVSA-N 1 2 331.416 2.391 40 0 EEABLO CCOc1cccc(S(=O)(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000241930309 535471652 /nfs/dbraw/zinc/47/16/52/535471652.db2.gz UHMXHZUPVZSCLX-CQSZACIVSA-N 1 2 349.456 2.446 40 0 EEABLO Cc1noc(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000040489661 213318663 /nfs/dbraw/zinc/31/86/63/213318663.db2.gz ISYGLKXSSWTKAI-UHFFFAOYSA-N 1 2 343.383 2.244 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CCCc3ccccn3)CC2)S1 ZINC000073118513 216351357 /nfs/dbraw/zinc/35/13/57/216351357.db2.gz GLUODYGXIXLINX-AWEZNQCLSA-N 1 2 332.473 2.040 40 0 EEABLO Cc1cnc(NCC[C@H]2CCOC23C[NH+](Cc2cccnc2)C3)nc1 ZINC000253600015 244032531 /nfs/dbraw/zinc/03/25/31/244032531.db2.gz AHYDWUTWRYEBPC-KRWDZBQOSA-N 1 2 339.443 2.273 40 0 EEABLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257274029 244386336 /nfs/dbraw/zinc/38/63/36/244386336.db2.gz NJFZMOFBEAUPGW-OAHLLOKOSA-N 1 2 331.441 2.260 40 0 EEABLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257274029 244386340 /nfs/dbraw/zinc/38/63/40/244386340.db2.gz NJFZMOFBEAUPGW-OAHLLOKOSA-N 1 2 331.441 2.260 40 0 EEABLO C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccccn1 ZINC000019658279 212054556 /nfs/dbraw/zinc/05/45/56/212054556.db2.gz TVIIKKOJMUYFOO-HNNXBMFYSA-N 1 2 325.412 2.405 40 0 EEABLO CC(C)Cn1nccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078073288 217019048 /nfs/dbraw/zinc/01/90/48/217019048.db2.gz YODYUTGPCCUUIX-QGZVFWFLSA-N 1 2 342.443 2.379 40 0 EEABLO CC(C)Cn1nccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078073288 217019050 /nfs/dbraw/zinc/01/90/50/217019050.db2.gz YODYUTGPCCUUIX-QGZVFWFLSA-N 1 2 342.443 2.379 40 0 EEABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000019292973 212013520 /nfs/dbraw/zinc/01/35/20/212013520.db2.gz UUPPDZBQYHDIAY-UHFFFAOYSA-N 1 2 346.381 2.207 40 0 EEABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000019292973 212013522 /nfs/dbraw/zinc/01/35/22/212013522.db2.gz UUPPDZBQYHDIAY-UHFFFAOYSA-N 1 2 346.381 2.207 40 0 EEABLO O=C(c1ccoc1)N1CCc2ncc(CNc3cccc[nH+]3)n2CC1 ZINC000096197116 296276459 /nfs/dbraw/zinc/27/64/59/296276459.db2.gz CFNBPPPAMYVZEK-UHFFFAOYSA-N 1 2 337.383 2.182 40 0 EEABLO Cc1ccn(CCNC(=O)CCc2[nH]c3cc(C)c(C)cc3[nH+]2)n1 ZINC000012147295 211305613 /nfs/dbraw/zinc/30/56/13/211305613.db2.gz XKJFHCNVBKNZFW-UHFFFAOYSA-N 1 2 325.416 2.434 40 0 EEABLO c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)c1 ZINC000096041723 218525547 /nfs/dbraw/zinc/52/55/47/218525547.db2.gz JQBBIYVYEXRENJ-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)c1 ZINC000096041723 218525550 /nfs/dbraw/zinc/52/55/50/218525550.db2.gz JQBBIYVYEXRENJ-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000096424295 218792556 /nfs/dbraw/zinc/79/25/56/218792556.db2.gz WTMRDEQMGGAUET-RDTXWAMCSA-N 1 2 342.418 2.126 40 0 EEABLO Cc1cnc([C@H](C)NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)s1 ZINC000097376480 219019436 /nfs/dbraw/zinc/01/94/36/219019436.db2.gz HPFQWXDGZJKUMB-LBPRGKRZSA-N 1 2 346.460 2.143 40 0 EEABLO COC[C@H]1CN(C(=O)c2cscn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045073 277606749 /nfs/dbraw/zinc/60/67/49/277606749.db2.gz WLKIAKJIRPKMRY-GFCCVEGCSA-N 1 2 332.429 2.136 40 0 EEABLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1C1CCOCC1 ZINC000096111100 279144180 /nfs/dbraw/zinc/14/41/80/279144180.db2.gz UYHULRHAMLEDOG-CQSZACIVSA-N 1 2 328.416 2.413 40 0 EEABLO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1C1CCOCC1 ZINC000096111100 279144183 /nfs/dbraw/zinc/14/41/83/279144183.db2.gz UYHULRHAMLEDOG-CQSZACIVSA-N 1 2 328.416 2.413 40 0 EEABLO CN(C)CN1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635165 289186313 /nfs/dbraw/zinc/18/63/13/289186313.db2.gz KHOXUOMAGAZUNA-OAQYLSRUSA-N 1 2 346.434 2.423 40 0 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COc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCC(C)C)[C@@H](C2)O3)cc1 ZINC000096252921 463228107 /nfs/dbraw/zinc/22/81/07/463228107.db2.gz XXJPJHFTRKSDTO-FGTMMUONSA-N 1 2 332.444 2.057 40 0 EEABLO CC[C@H]1COCC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443360 463268475 /nfs/dbraw/zinc/26/84/75/463268475.db2.gz DSDMMXDWACLYIX-ZDUSSCGKSA-N 1 2 333.457 2.066 40 0 EEABLO CC[C@H]1COCC[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443360 463268477 /nfs/dbraw/zinc/26/84/77/463268477.db2.gz DSDMMXDWACLYIX-ZDUSSCGKSA-N 1 2 333.457 2.066 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)S1 ZINC000081737782 463486634 /nfs/dbraw/zinc/48/66/34/463486634.db2.gz ZARHNMQGYFYZJJ-ZDUSSCGKSA-N 1 2 332.473 2.002 40 0 EEABLO CCCn1cc(C[N@@H+]2CCC[C@H]2c2cncc(CNC(C)=O)n2)cn1 ZINC000257280810 463760041 /nfs/dbraw/zinc/76/00/41/463760041.db2.gz OMNFOUQXGWPMEB-SFHVURJKSA-N 1 2 342.447 2.056 40 0 EEABLO CCCn1cc(C[N@H+]2CCC[C@H]2c2cncc(CNC(C)=O)n2)cn1 ZINC000257280810 463760045 /nfs/dbraw/zinc/76/00/45/463760045.db2.gz OMNFOUQXGWPMEB-SFHVURJKSA-N 1 2 342.447 2.056 40 0 EEABLO CCc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(C)=O)CCO3)c2)s1 ZINC000257305023 463770131 /nfs/dbraw/zinc/77/01/31/463770131.db2.gz SOCYULVAPSBEIT-CQSZACIVSA-N 1 2 347.444 2.467 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)[nH+]1 ZINC000257336461 463783198 /nfs/dbraw/zinc/78/31/98/463783198.db2.gz YONHITPWVYTRPI-CYBMUJFWSA-N 1 2 337.420 2.436 40 0 EEABLO CN(C(=O)C1(c2ccccc2F)CC1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257341625 463785429 /nfs/dbraw/zinc/78/54/29/463785429.db2.gz ZLDMCIZIHRQWTA-BRWVUGGUSA-N 1 2 343.402 2.277 40 0 EEABLO Cn1nncc1C[NH+]1CCN(c2nc(-c3cccs3)cs2)CC1 ZINC000195548190 464074816 /nfs/dbraw/zinc/07/48/16/464074816.db2.gz KJDVHWUITKIROJ-UHFFFAOYSA-N 1 2 346.485 2.322 40 0 EEABLO Cc1noc(C)c1CO[C@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000225485712 464165540 /nfs/dbraw/zinc/16/55/40/464165540.db2.gz FLULPMQFSNKFLO-HNNXBMFYSA-N 1 2 343.431 2.477 40 0 EEABLO Cc1noc(C)c1CO[C@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000225485712 464165544 /nfs/dbraw/zinc/16/55/44/464165544.db2.gz FLULPMQFSNKFLO-HNNXBMFYSA-N 1 2 343.431 2.477 40 0 EEABLO O=C(OCc1ccccc1)N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000225533403 464169762 /nfs/dbraw/zinc/16/97/62/464169762.db2.gz XAYDQRXTBBAZMY-UHFFFAOYSA-N 1 2 330.384 2.226 40 0 EEABLO CO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000225643678 464178314 /nfs/dbraw/zinc/17/83/14/464178314.db2.gz ANHRFWYXVVKYPJ-IBGZPJMESA-N 1 2 348.443 2.151 40 0 EEABLO c1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CCO3)nc1 ZINC000247980014 464719040 /nfs/dbraw/zinc/71/90/40/464719040.db2.gz XHCSPIAECGQUJX-SFHVURJKSA-N 1 2 325.412 2.427 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)o1 ZINC000248128557 464732371 /nfs/dbraw/zinc/73/23/71/464732371.db2.gz XQUNVHVWEAFETH-RHSMWYFYSA-N 1 2 332.425 2.093 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)o1 ZINC000248128557 464732378 /nfs/dbraw/zinc/73/23/78/464732378.db2.gz XQUNVHVWEAFETH-RHSMWYFYSA-N 1 2 332.425 2.093 40 0 EEABLO Cc1ccc(Cl)cc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000252480159 464960198 /nfs/dbraw/zinc/96/01/98/464960198.db2.gz BXBOAQQOONYCOG-JKSUJKDBSA-N 1 2 337.851 2.263 40 0 EEABLO Cc1ccc(Cl)cc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000252480159 464960207 /nfs/dbraw/zinc/96/02/07/464960207.db2.gz BXBOAQQOONYCOG-JKSUJKDBSA-N 1 2 337.851 2.263 40 0 EEABLO CCOC(=O)C[N@@H+]1CCCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000253418108 465005489 /nfs/dbraw/zinc/00/54/89/465005489.db2.gz OCKFWJJOFZRYET-UHFFFAOYSA-N 1 2 331.338 2.176 40 0 EEABLO CCOC(=O)C[N@H+]1CCCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000253418108 465005493 /nfs/dbraw/zinc/00/54/93/465005493.db2.gz OCKFWJJOFZRYET-UHFFFAOYSA-N 1 2 331.338 2.176 40 0 EEABLO CCc1nc(N)c2c([nH+]1)C[C@H](c1ccc(OC)c(OC)c1)CC2=O ZINC000408712783 466682056 /nfs/dbraw/zinc/68/20/56/466682056.db2.gz QPCZZYLXTYUOFC-NSHDSACASA-N 1 2 327.384 2.551 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)no1 ZINC000585104095 468972128 /nfs/dbraw/zinc/97/21/28/468972128.db2.gz FXKYIFSAPIJNKO-MRXNPFEDSA-N 1 2 338.473 2.486 40 0 EEABLO CN(C)C(=O)NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112209 468975326 /nfs/dbraw/zinc/97/53/26/468975326.db2.gz LGXNMPQFHMPPHR-ZDUSSCGKSA-N 1 2 333.461 2.163 40 0 EEABLO CN(C)C(=O)NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112209 468975330 /nfs/dbraw/zinc/97/53/30/468975330.db2.gz LGXNMPQFHMPPHR-ZDUSSCGKSA-N 1 2 333.461 2.163 40 0 EEABLO COC(=O)c1ccccc1-c1ccc(C[NH+]2CCN(C(C)=O)CC2)o1 ZINC000132087388 534286043 /nfs/dbraw/zinc/28/60/43/534286043.db2.gz QLDGZSJCAJFUSN-UHFFFAOYSA-N 1 2 342.395 2.397 40 0 EEABLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC3(C)C)c2)CC1 ZINC000187163015 526630898 /nfs/dbraw/zinc/63/08/98/526630898.db2.gz OXMPBMBIYWWMAG-QGZVFWFLSA-N 1 2 329.444 2.335 40 0 EEABLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000131380249 528732883 /nfs/dbraw/zinc/73/28/83/528732883.db2.gz PNLDPPACDPQOIY-GFCCVEGCSA-N 1 2 342.399 2.189 40 0 EEABLO COCC(=O)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2C(C)C)C1 ZINC000072350618 216161541 /nfs/dbraw/zinc/16/15/41/216161541.db2.gz ZZZBCXSPBAIOKJ-AWEZNQCLSA-N 1 2 343.431 2.138 40 0 EEABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072382770 216182444 /nfs/dbraw/zinc/18/24/44/216182444.db2.gz CLZQDKDEPDRXGV-AWEZNQCLSA-N 1 2 348.414 2.411 40 0 EEABLO COc1ccccc1[C@@H]1C[N@H+](Cc2ccnc(C)n2)CCN1C(C)=O ZINC000257215122 244164526 /nfs/dbraw/zinc/16/45/26/244164526.db2.gz COUGSPDYMMNSDF-SFHVURJKSA-N 1 2 340.427 2.199 40 0 EEABLO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccnc(C)n2)CCN1C(C)=O ZINC000257215122 244164534 /nfs/dbraw/zinc/16/45/34/244164534.db2.gz COUGSPDYMMNSDF-SFHVURJKSA-N 1 2 340.427 2.199 40 0 EEABLO CNc1cc([C@H]2CCCN2C(=O)CCCn2cc[nH+]c2)nc(C)n1 ZINC000257262141 244351453 /nfs/dbraw/zinc/35/14/53/244351453.db2.gz LKGOWLDHBMURPG-OAHLLOKOSA-N 1 2 328.420 2.167 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)[nH+]1 ZINC000257274683 244388169 /nfs/dbraw/zinc/38/81/69/244388169.db2.gz NMBYLOIRDBBNPO-MRXNPFEDSA-N 1 2 333.457 2.469 40 0 EEABLO CCc1[nH+]c2cc(NC(=O)[C@@H](C)N3CCOCC3)ccc2n1CC ZINC000019523198 212036211 /nfs/dbraw/zinc/03/62/11/212036211.db2.gz XHOIQHRNYSIYSR-CYBMUJFWSA-N 1 2 330.432 2.278 40 0 EEABLO C[C@]1(C(=O)NCCn2cc[nH+]c2)CC(c2ccccc2Cl)=NO1 ZINC000019460867 212029773 /nfs/dbraw/zinc/02/97/73/212029773.db2.gz YIMUNMCDXSOHIF-MRXNPFEDSA-N 1 2 332.791 2.236 40 0 EEABLO Cc1nnc(C2CC[NH+](CC(=O)NCCc3ccccc3)CC2)s1 ZINC000049365696 214002437 /nfs/dbraw/zinc/00/24/37/214002437.db2.gz IXRARJUVEPHNSB-UHFFFAOYSA-N 1 2 344.484 2.385 40 0 EEABLO CCn1cc(C[N@H+]2CCc3nc4ccsc4c(=O)n3CC2)c(C)n1 ZINC000012325257 211348923 /nfs/dbraw/zinc/34/89/23/211348923.db2.gz JKJVJNYVIMBRNH-UHFFFAOYSA-N 1 2 343.456 2.041 40 0 EEABLO CCn1cc(C[N@@H+]2CCc3nc4ccsc4c(=O)n3CC2)c(C)n1 ZINC000012325257 211348926 /nfs/dbraw/zinc/34/89/26/211348926.db2.gz JKJVJNYVIMBRNH-UHFFFAOYSA-N 1 2 343.456 2.041 40 0 EEABLO O=C(Nc1ccccc1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609166 217943932 /nfs/dbraw/zinc/94/39/32/217943932.db2.gz RPYQRBIJFXBIMM-MRXNPFEDSA-N 1 2 335.473 2.358 40 0 EEABLO O=C1NC[C@H]2C[N@H+](CCCc3ccccc3Br)CCN12 ZINC000097371937 219016389 /nfs/dbraw/zinc/01/63/89/219016389.db2.gz GNSBBDKYOVTWIZ-ZDUSSCGKSA-N 1 2 338.249 2.091 40 0 EEABLO O=C1NC[C@H]2C[N@@H+](CCCc3ccccc3Br)CCN12 ZINC000097371937 219016392 /nfs/dbraw/zinc/01/63/92/219016392.db2.gz GNSBBDKYOVTWIZ-ZDUSSCGKSA-N 1 2 338.249 2.091 40 0 EEABLO C[C@H](c1cccc(Cl)c1)N1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000096495468 299635643 /nfs/dbraw/zinc/63/56/43/299635643.db2.gz YBMCPHLJEGHQDP-CZUORRHYSA-N 1 2 342.892 2.206 40 0 EEABLO O=C(Cc1ccccc1Cl)N1CC[NH+](C[C@@H](O)c2ccco2)CC1 ZINC000085436770 462548191 /nfs/dbraw/zinc/54/81/91/462548191.db2.gz MMLQHEDYMHRIRJ-MRXNPFEDSA-N 1 2 348.830 2.353 40 0 EEABLO COc1ccc(Cl)cc1C(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000075158005 462689181 /nfs/dbraw/zinc/68/91/81/462689181.db2.gz ADXWFNMLMGWEHE-UHFFFAOYSA-N 1 2 348.834 2.003 40 0 EEABLO COc1ccc(Cl)cc1C(=O)N1CC[NH+](CCn2ccnc2)CC1 ZINC000075158005 462689185 /nfs/dbraw/zinc/68/91/85/462689185.db2.gz ADXWFNMLMGWEHE-UHFFFAOYSA-N 1 2 348.834 2.003 40 0 EEABLO O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096187275 463199323 /nfs/dbraw/zinc/19/93/23/463199323.db2.gz HQCGIEUVBASAFU-RBSFLKMASA-N 1 2 347.440 2.174 40 0 EEABLO O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096187275 463199327 /nfs/dbraw/zinc/19/93/27/463199327.db2.gz HQCGIEUVBASAFU-RBSFLKMASA-N 1 2 347.440 2.174 40 0 EEABLO O=C(c1ccncc1)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096220121 463217726 /nfs/dbraw/zinc/21/77/26/463217726.db2.gz UHDWBEJKICKOIG-VQIMIIECSA-N 1 2 338.411 2.352 40 0 EEABLO Cc1ccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccccn2)CCO3)nn1 ZINC000096226545 463220598 /nfs/dbraw/zinc/22/05/98/463220598.db2.gz YEUNJARLZZWKOF-LJQANCHMSA-N 1 2 339.443 2.051 40 0 EEABLO Cc1ccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccn2)CCO3)nn1 ZINC000096226545 463220601 /nfs/dbraw/zinc/22/06/01/463220601.db2.gz YEUNJARLZZWKOF-LJQANCHMSA-N 1 2 339.443 2.051 40 0 EEABLO c1csc(C[N@@H+]2CCO[C@@]3(CCCN(c4nncs4)C3)C2)c1 ZINC000096226621 463221228 /nfs/dbraw/zinc/22/12/28/463221228.db2.gz WHAPJLZZFYJGEC-HNNXBMFYSA-N 1 2 336.486 2.471 40 0 EEABLO c1csc(C[N@H+]2CCO[C@@]3(CCCN(c4nncs4)C3)C2)c1 ZINC000096226621 463221235 /nfs/dbraw/zinc/22/12/35/463221235.db2.gz WHAPJLZZFYJGEC-HNNXBMFYSA-N 1 2 336.486 2.471 40 0 EEABLO Cc1cc2ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)n2n1 ZINC000028833341 463234058 /nfs/dbraw/zinc/23/40/58/463234058.db2.gz NJLVQELQRMZUTR-UHFFFAOYSA-N 1 2 349.438 2.304 40 0 EEABLO CC(=O)N1CCC(C(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000096436755 463265258 /nfs/dbraw/zinc/26/52/58/463265258.db2.gz QDKFOOGGYOXQCJ-UHFFFAOYSA-N 1 2 340.427 2.021 40 0 EEABLO CCN(CC)C(=O)N1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000096489712 463286568 /nfs/dbraw/zinc/28/65/68/463286568.db2.gz FTJMRNSQTQTJMZ-UHFFFAOYSA-N 1 2 342.447 2.051 40 0 EEABLO C[C@@H](CNC(=O)Cc1cnc2ccccc2c1)[N@@H+]1CCOC[C@H]1C ZINC000097104059 463325372 /nfs/dbraw/zinc/32/53/72/463325372.db2.gz WXOUGIXZRHVXFE-LSDHHAIUSA-N 1 2 327.428 2.003 40 0 EEABLO C[C@@H](CNC(=O)Cc1cnc2ccccc2c1)[N@H+]1CCOC[C@H]1C ZINC000097104059 463325375 /nfs/dbraw/zinc/32/53/75/463325375.db2.gz WXOUGIXZRHVXFE-LSDHHAIUSA-N 1 2 327.428 2.003 40 0 EEABLO COCc1nc(CN2CC[NH+](Cc3c(C)noc3C)CC2)cs1 ZINC000072582792 463522967 /nfs/dbraw/zinc/52/29/67/463522967.db2.gz FPQDLJPVPYZPPT-UHFFFAOYSA-N 1 2 336.461 2.212 40 0 EEABLO COc1ccc([C@H]2C[N@H+](Cc3ccncc3)CCN2C(C)=O)cc1 ZINC000257327109 463780014 /nfs/dbraw/zinc/78/00/14/463780014.db2.gz WZZDRKMBPCUVFC-LJQANCHMSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccc([C@H]2C[N@@H+](Cc3ccncc3)CCN2C(C)=O)cc1 ZINC000257327109 463780018 /nfs/dbraw/zinc/78/00/18/463780018.db2.gz WZZDRKMBPCUVFC-LJQANCHMSA-N 1 2 325.412 2.496 40 0 EEABLO CCc1cc(C(=O)N2CC[N@H+](C)[C@@H](c3ccc(OC)cc3)C2)no1 ZINC000257336138 463782376 /nfs/dbraw/zinc/78/23/76/463782376.db2.gz YNJBFBCSPRMOQZ-QGZVFWFLSA-N 1 2 329.400 2.375 40 0 EEABLO CCc1cc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccc(OC)cc3)C2)no1 ZINC000257336138 463782382 /nfs/dbraw/zinc/78/23/82/463782382.db2.gz YNJBFBCSPRMOQZ-QGZVFWFLSA-N 1 2 329.400 2.375 40 0 EEABLO COc1ccc(C2(C(=O)N3CCOC[C@@H]3c3[nH]cc(C)[nH+]3)CC2)cc1 ZINC000257344364 463788220 /nfs/dbraw/zinc/78/82/20/463788220.db2.gz ZWWVEPOUVLVXLO-MRXNPFEDSA-N 1 2 341.411 2.358 40 0 EEABLO CO[C@@H](CNc1cc(N2CCOCC2)nc[nH+]1)c1ccc(F)cc1 ZINC000225480198 464164166 /nfs/dbraw/zinc/16/41/66/464164166.db2.gz NPCAIKJYDLBVOV-HNNXBMFYSA-N 1 2 332.379 2.252 40 0 EEABLO CO[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)c1ccc(F)cc1 ZINC000225480198 464164169 /nfs/dbraw/zinc/16/41/69/464164169.db2.gz NPCAIKJYDLBVOV-HNNXBMFYSA-N 1 2 332.379 2.252 40 0 EEABLO CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccncc1 ZINC000188190260 464219119 /nfs/dbraw/zinc/21/91/19/464219119.db2.gz OYBHYIJHHZWHJG-ZDUSSCGKSA-N 1 2 333.461 2.173 40 0 EEABLO CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccncc1 ZINC000188190260 464219125 /nfs/dbraw/zinc/21/91/25/464219125.db2.gz OYBHYIJHHZWHJG-ZDUSSCGKSA-N 1 2 333.461 2.173 40 0 EEABLO Nc1ccnc(C[NH+]2CCN(c3cccc(Br)c3)CC2)n1 ZINC000284746760 464320666 /nfs/dbraw/zinc/32/06/66/464320666.db2.gz LFTFBVGECXKYBO-UHFFFAOYSA-N 1 2 348.248 2.144 40 0 EEABLO CC[N@@H+]1CC[C@H](NS(=O)(=O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000239351874 464442034 /nfs/dbraw/zinc/44/20/34/464442034.db2.gz AAGQPRJGKOLKTB-DZGCQCFKSA-N 1 2 348.390 2.321 40 0 EEABLO CC[N@H+]1CC[C@H](NS(=O)(=O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000239351874 464442037 /nfs/dbraw/zinc/44/20/37/464442037.db2.gz AAGQPRJGKOLKTB-DZGCQCFKSA-N 1 2 348.390 2.321 40 0 EEABLO CCn1cc(CN2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)cn1 ZINC000249681044 464903119 /nfs/dbraw/zinc/90/31/19/464903119.db2.gz BDFRKFQWLLSXHC-KRWDZBQOSA-N 1 2 341.459 2.391 40 0 EEABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000252490034 464966681 /nfs/dbraw/zinc/96/66/81/464966681.db2.gz KHRQEYAKQOKVCM-OAHLLOKOSA-N 1 2 342.443 2.165 40 0 EEABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000252490034 464966686 /nfs/dbraw/zinc/96/66/86/464966686.db2.gz KHRQEYAKQOKVCM-OAHLLOKOSA-N 1 2 342.443 2.165 40 0 EEABLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@H]21 ZINC000253418303 465005462 /nfs/dbraw/zinc/00/54/62/465005462.db2.gz GEIQWNFGFPQSCJ-MNOVXSKESA-N 1 2 344.337 2.037 40 0 EEABLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@H]21 ZINC000253418303 465005472 /nfs/dbraw/zinc/00/54/72/465005472.db2.gz GEIQWNFGFPQSCJ-MNOVXSKESA-N 1 2 344.337 2.037 40 0 EEABLO COCCc1c[nH+]c2n1CCN(C(=O)Cc1cccc(F)c1)[C@@H]2C ZINC000585098002 468967740 /nfs/dbraw/zinc/96/77/40/468967740.db2.gz QHBIDVSBWJMCOX-CYBMUJFWSA-N 1 2 331.391 2.357 40 0 EEABLO CCCNC(=O)C1=NO[C@]2(C1)CCC[N@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101238 468969323 /nfs/dbraw/zinc/96/93/23/468969323.db2.gz PUJJRUGSWWXHQL-SFHVURJKSA-N 1 2 347.463 2.101 40 0 EEABLO CCCNC(=O)C1=NO[C@]2(C1)CCC[N@@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101238 468969326 /nfs/dbraw/zinc/96/93/26/468969326.db2.gz PUJJRUGSWWXHQL-SFHVURJKSA-N 1 2 347.463 2.101 40 0 EEABLO Cc1nn(C)c(C)c1OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000072497487 216262989 /nfs/dbraw/zinc/26/29/89/216262989.db2.gz KYJZORNYQFNSIJ-QGZVFWFLSA-N 1 2 343.427 2.233 40 0 EEABLO Cc1nn(C)c(C)c1OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000072497487 216262994 /nfs/dbraw/zinc/26/29/94/216262994.db2.gz KYJZORNYQFNSIJ-QGZVFWFLSA-N 1 2 343.427 2.233 40 0 EEABLO COC(=O)[C@@H](c1ccsc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000253396396 243896735 /nfs/dbraw/zinc/89/67/35/243896735.db2.gz BJPRTZVZIAVYKD-HZPDHXFCSA-N 1 2 338.473 2.149 40 0 EEABLO Cc1cc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c(=O)[nH]c1C ZINC000257269676 244373019 /nfs/dbraw/zinc/37/30/19/244373019.db2.gz MQXHSMHHSMAPEZ-AWEZNQCLSA-N 1 2 326.400 2.198 40 0 EEABLO C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CCN1C(=O)OC(C)(C)C ZINC000079439494 217225253 /nfs/dbraw/zinc/22/52/53/217225253.db2.gz LELXUWRMTZGDNT-LBPRGKRZSA-N 1 2 333.436 2.497 40 0 EEABLO C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)CCN1C(=O)OC(C)(C)C ZINC000079439494 217225255 /nfs/dbraw/zinc/22/52/55/217225255.db2.gz LELXUWRMTZGDNT-LBPRGKRZSA-N 1 2 333.436 2.497 40 0 EEABLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012221881 211323943 /nfs/dbraw/zinc/32/39/43/211323943.db2.gz BDYMAENLXBOXHD-OAHLLOKOSA-N 1 2 327.384 2.072 40 0 EEABLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)[C@@H](C)C2 ZINC000241231195 292360868 /nfs/dbraw/zinc/36/08/68/292360868.db2.gz KSXWBVBPJOKJTP-UDTPNQRGSA-N 1 2 343.471 2.343 40 0 EEABLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)[C@@H](C)C2 ZINC000241231195 292360871 /nfs/dbraw/zinc/36/08/71/292360871.db2.gz KSXWBVBPJOKJTP-UDTPNQRGSA-N 1 2 343.471 2.343 40 0 EEABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ccnc(C)n2)c1 ZINC000257200794 278020841 /nfs/dbraw/zinc/02/08/41/278020841.db2.gz AEYNZULRKATSAS-KRWDZBQOSA-N 1 2 349.394 2.387 40 0 EEABLO Cc1cn2c(ncc(C(=O)Nc3ccc(C)[nH+]c3N(C)C)c2=O)s1 ZINC000089340797 281555591 /nfs/dbraw/zinc/55/55/91/281555591.db2.gz KRUOOOMSKUBGPK-UHFFFAOYSA-N 1 2 343.412 2.086 40 0 EEABLO Cc1cc(C)c(C(=O)NCc2[nH+]ccn2Cc2ccccc2)c(=O)[nH]1 ZINC000074097868 462555461 /nfs/dbraw/zinc/55/54/61/462555461.db2.gz GQBWUGYATVLZHT-UHFFFAOYSA-N 1 2 336.395 2.167 40 0 EEABLO CCOCC[N@H+]1Cc2ncn(C)c2[C@H](COCc2cccc(C)n2)C1 ZINC000096045048 463148911 /nfs/dbraw/zinc/14/89/11/463148911.db2.gz HXVHEHWKZAHURY-INIZCTEOSA-N 1 2 344.459 2.276 40 0 EEABLO CCOCC[N@@H+]1Cc2ncn(C)c2[C@H](COCc2cccc(C)n2)C1 ZINC000096045048 463148914 /nfs/dbraw/zinc/14/89/14/463148914.db2.gz HXVHEHWKZAHURY-INIZCTEOSA-N 1 2 344.459 2.276 40 0 EEABLO c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccccn2)nc1 ZINC000096058015 463160115 /nfs/dbraw/zinc/16/01/15/463160115.db2.gz SWZJHOSNGFOYQQ-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccccn2)nc1 ZINC000096058015 463160121 /nfs/dbraw/zinc/16/01/21/463160121.db2.gz SWZJHOSNGFOYQQ-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096084453 463170125 /nfs/dbraw/zinc/17/01/25/463170125.db2.gz AFPCTMVHJLDTMO-UHFFFAOYSA-N 1 2 335.411 2.186 40 0 EEABLO Cc1ccc(CN2Cc3[nH+]ccn3C[C@H](CN3CCCC3=O)C2)o1 ZINC000096188416 463200344 /nfs/dbraw/zinc/20/03/44/463200344.db2.gz HHWOSNCUXPVQCN-OAHLLOKOSA-N 1 2 328.416 2.039 40 0 EEABLO Cc1ccc(C(=O)N2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)o1 ZINC000096202271 463207226 /nfs/dbraw/zinc/20/72/26/463207226.db2.gz BFNMLAXDCUVTTM-IBGZPJMESA-N 1 2 341.411 2.352 40 0 EEABLO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000096244855 463225774 /nfs/dbraw/zinc/22/57/74/463225774.db2.gz UZFSBBNRIKENLA-MAUKXSAKSA-N 1 2 346.427 2.331 40 0 EEABLO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000096244855 463225779 /nfs/dbraw/zinc/22/57/79/463225779.db2.gz UZFSBBNRIKENLA-MAUKXSAKSA-N 1 2 346.427 2.331 40 0 EEABLO COCCN(C)C(=O)c1cc(-c2cn(C)c(C)[nH+]2)n2ccccc12 ZINC000096266814 463231407 /nfs/dbraw/zinc/23/14/07/463231407.db2.gz SFPBVTSFFSXZHD-UHFFFAOYSA-N 1 2 326.400 2.367 40 0 EEABLO Cc1cc2c(cc1C)O[C@@H](C(=O)NCCc1cn3c([nH+]1)CCCC3)C2 ZINC000096430578 463260542 /nfs/dbraw/zinc/26/05/42/463260542.db2.gz XLJDBJROFNFLRD-GOSISDBHSA-N 1 2 339.439 2.499 40 0 EEABLO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Cl)cc2O)CC1 ZINC000096467522 463277931 /nfs/dbraw/zinc/27/79/31/463277931.db2.gz ZBXDBKPNKWHAPF-ZDUSSCGKSA-N 1 2 339.867 2.049 40 0 EEABLO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(Cl)cc2O)CC1 ZINC000096467522 463277934 /nfs/dbraw/zinc/27/79/34/463277934.db2.gz ZBXDBKPNKWHAPF-ZDUSSCGKSA-N 1 2 339.867 2.049 40 0 EEABLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccco2)CC1 ZINC000096489509 463285225 /nfs/dbraw/zinc/28/52/25/463285225.db2.gz FMUBZWIYUZPFMP-UHFFFAOYSA-N 1 2 338.404 2.315 40 0 EEABLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccco2)CC1 ZINC000096489509 463285230 /nfs/dbraw/zinc/28/52/30/463285230.db2.gz FMUBZWIYUZPFMP-UHFFFAOYSA-N 1 2 338.404 2.315 40 0 EEABLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000163026962 463558274 /nfs/dbraw/zinc/55/82/74/463558274.db2.gz WTFASLRYCMXKKK-OAHLLOKOSA-N 1 2 339.443 2.133 40 0 EEABLO C[N@H+](CC(=O)N1CCC[C@@H](c2nccs2)C1)Cc1cccnc1 ZINC000257325198 463778545 /nfs/dbraw/zinc/77/85/45/463778545.db2.gz WRXNHTHRCANPIO-OAHLLOKOSA-N 1 2 330.457 2.376 40 0 EEABLO C[N@@H+](CC(=O)N1CCC[C@@H](c2nccs2)C1)Cc1cccnc1 ZINC000257325198 463778549 /nfs/dbraw/zinc/77/85/49/463778549.db2.gz WRXNHTHRCANPIO-OAHLLOKOSA-N 1 2 330.457 2.376 40 0 EEABLO C[C@@H]1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000194208976 463814305 /nfs/dbraw/zinc/81/43/05/463814305.db2.gz WZHWBANBXYIEBW-HIFRSBDPSA-N 1 2 336.399 2.392 40 0 EEABLO C[C@H]1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000194209024 463814760 /nfs/dbraw/zinc/81/47/60/463814760.db2.gz WZHWBANBXYIEBW-DZGCQCFKSA-N 1 2 336.399 2.392 40 0 EEABLO Cn1c(=O)c2ccccc2nc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185485138 463831344 /nfs/dbraw/zinc/83/13/44/463831344.db2.gz PRMVDRNAOUHSRE-UHFFFAOYSA-N 1 2 349.434 2.417 40 0 EEABLO C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)[C@H]1COc2ccccc21 ZINC000225482946 464164939 /nfs/dbraw/zinc/16/49/39/464164939.db2.gz QTTYDJMOJCYHCF-UKRRQHHQSA-N 1 2 326.400 2.290 40 0 EEABLO C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)[C@H]1COc2ccccc21 ZINC000225482946 464164941 /nfs/dbraw/zinc/16/49/41/464164941.db2.gz QTTYDJMOJCYHCF-UKRRQHHQSA-N 1 2 326.400 2.290 40 0 EEABLO O=C(CC1CCC2(CC1)OCCO2)NCCc1cn2c([nH+]1)CCCC2 ZINC000225562129 464171820 /nfs/dbraw/zinc/17/18/20/464171820.db2.gz XAEDIZLQAHIRBK-UHFFFAOYSA-N 1 2 347.459 2.202 40 0 EEABLO CN(C)c1noc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000225627647 464176463 /nfs/dbraw/zinc/17/64/63/464176463.db2.gz QXSXPBZACMIIKJ-UHFFFAOYSA-N 1 2 330.432 2.443 40 0 EEABLO CN(C)c1noc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000225627647 464176467 /nfs/dbraw/zinc/17/64/67/464176467.db2.gz QXSXPBZACMIIKJ-UHFFFAOYSA-N 1 2 330.432 2.443 40 0 EEABLO c1cncc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)c1 ZINC000247917644 464715463 /nfs/dbraw/zinc/71/54/63/464715463.db2.gz BREIVCMIJOKYGN-SFHVURJKSA-N 1 2 332.444 2.258 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)n(C)n1 ZINC000248033716 464724892 /nfs/dbraw/zinc/72/48/92/464724892.db2.gz LXKQWGIVLNTTET-KRWDZBQOSA-N 1 2 344.484 2.400 40 0 EEABLO Cn1cc(C[N@H+]2Cc3cccn3[C@H](COCc3ccccn3)C2)cn1 ZINC000306131601 466490996 /nfs/dbraw/zinc/49/09/96/466490996.db2.gz KJRFPZOVICIZEA-IBGZPJMESA-N 1 2 337.427 2.390 40 0 EEABLO Cn1cc(C[N@@H+]2Cc3cccn3[C@H](COCc3ccccn3)C2)cn1 ZINC000306131601 466491003 /nfs/dbraw/zinc/49/10/03/466491003.db2.gz KJRFPZOVICIZEA-IBGZPJMESA-N 1 2 337.427 2.390 40 0 EEABLO CCOCCCNC(=O)c1nc([C@@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306143673 466494108 /nfs/dbraw/zinc/49/41/08/466494108.db2.gz YINFLUJNJHIROH-HNNXBMFYSA-N 1 2 330.432 2.257 40 0 EEABLO CCOCCCNC(=O)c1nc([C@@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306143673 466494113 /nfs/dbraw/zinc/49/41/13/466494113.db2.gz YINFLUJNJHIROH-HNNXBMFYSA-N 1 2 330.432 2.257 40 0 EEABLO Cc1cc(C[N@H+]2CCn3c(COCC4CCC4)nnc3C[C@H]2C)n[nH]1 ZINC000585096856 468964106 /nfs/dbraw/zinc/96/41/06/468964106.db2.gz BQSFWKRPHJMTOM-CQSZACIVSA-N 1 2 344.463 2.073 40 0 EEABLO Cc1cc(C[N@@H+]2CCn3c(COCC4CCC4)nnc3C[C@H]2C)n[nH]1 ZINC000585096856 468964112 /nfs/dbraw/zinc/96/41/12/468964112.db2.gz BQSFWKRPHJMTOM-CQSZACIVSA-N 1 2 344.463 2.073 40 0 EEABLO c1coc(C[N@H+]2Cc3ccnn3CC[C@H]2COc2ncccn2)c1 ZINC000585097687 468965035 /nfs/dbraw/zinc/96/50/35/468965035.db2.gz PNOBVTNVJVPQIZ-HNNXBMFYSA-N 1 2 325.372 2.120 40 0 EEABLO c1coc(C[N@@H+]2Cc3ccnn3CC[C@H]2COc2ncccn2)c1 ZINC000585097687 468965042 /nfs/dbraw/zinc/96/50/42/468965042.db2.gz PNOBVTNVJVPQIZ-HNNXBMFYSA-N 1 2 325.372 2.120 40 0 EEABLO Cc1c(C[N@@H+]2Cc3ccnn3CC[C@H]2COCC2CC2)cnn1C ZINC000585097664 468965583 /nfs/dbraw/zinc/96/55/83/468965583.db2.gz PEBWXYJSSOBITA-SFHVURJKSA-N 1 2 329.448 2.126 40 0 EEABLO Cc1c(C[N@H+]2Cc3ccnn3CC[C@H]2COCC2CC2)cnn1C ZINC000585097664 468965587 /nfs/dbraw/zinc/96/55/87/468965587.db2.gz PEBWXYJSSOBITA-SFHVURJKSA-N 1 2 329.448 2.126 40 0 EEABLO Cc1cccnc1C[N@H+]1CCO[C@H]2CN(C(=O)OC(C)C)CC[C@@H]21 ZINC000585107840 468971483 /nfs/dbraw/zinc/97/14/83/468971483.db2.gz QWPOKRKBTSXWBE-IRXDYDNUSA-N 1 2 333.432 2.210 40 0 EEABLO Cc1cccnc1C[N@@H+]1CCO[C@H]2CN(C(=O)OC(C)C)CC[C@@H]21 ZINC000585107840 468971489 /nfs/dbraw/zinc/97/14/89/468971489.db2.gz QWPOKRKBTSXWBE-IRXDYDNUSA-N 1 2 333.432 2.210 40 0 EEABLO CN(C1CCCCC1)S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604411898 469477033 /nfs/dbraw/zinc/47/70/33/469477033.db2.gz IPAPSZVRDVIHOK-UHFFFAOYSA-N 1 2 348.472 2.471 40 0 EEABLO CN(C)c1cc([C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)cc[nH+]1 ZINC000257211576 536145231 /nfs/dbraw/zinc/14/52/31/536145231.db2.gz BZKCQQCIRSMFQN-AWEZNQCLSA-N 1 2 347.850 2.404 40 0 EEABLO Cc1cnc(NCC[C@H]2CCOC23C[NH+](Cc2ccoc2)C3)nc1 ZINC000253600248 244031015 /nfs/dbraw/zinc/03/10/15/244031015.db2.gz ILKPUWJVUQGCNP-INIZCTEOSA-N 1 2 328.416 2.471 40 0 EEABLO Cc1nc(N2CCC[C@@H](c3cnc(Nc4cnccn4)cn3)C2)cc[nH+]1 ZINC000257209844 244146816 /nfs/dbraw/zinc/14/68/16/244146816.db2.gz BSCQOCZBEHCLKR-CQSZACIVSA-N 1 2 348.414 2.493 40 0 EEABLO Cc1ccn(CCC(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257225353 244199035 /nfs/dbraw/zinc/19/90/35/244199035.db2.gz FFVTYNJIJWAOAA-QGZVFWFLSA-N 1 2 341.459 2.449 40 0 EEABLO Cc1noc(C)c1CC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257248085 244264400 /nfs/dbraw/zinc/26/44/00/244264400.db2.gz JCARDTWTIJBPKI-OAHLLOKOSA-N 1 2 328.416 2.356 40 0 EEABLO c1csc(CN2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)n1 ZINC000096208948 218685592 /nfs/dbraw/zinc/68/55/92/218685592.db2.gz MSJYLUPLXSZVLL-AWEZNQCLSA-N 1 2 341.440 2.446 40 0 EEABLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)n1cccn1 ZINC000270687757 256160944 /nfs/dbraw/zinc/16/09/44/256160944.db2.gz JDFPUWGFIUGYGR-XFBWCDHKSA-N 1 2 334.370 2.284 40 0 EEABLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)n1cccn1 ZINC000270687757 256160945 /nfs/dbraw/zinc/16/09/45/256160945.db2.gz JDFPUWGFIUGYGR-XFBWCDHKSA-N 1 2 334.370 2.284 40 0 EEABLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000195530148 288394697 /nfs/dbraw/zinc/39/46/97/288394697.db2.gz BLBQPMBRBUGGPC-FMKPAKJESA-N 1 2 345.443 2.167 40 0 EEABLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000195530148 288394699 /nfs/dbraw/zinc/39/46/99/288394699.db2.gz BLBQPMBRBUGGPC-FMKPAKJESA-N 1 2 345.443 2.167 40 0 EEABLO O=C(NC[C@H](O)c1cccs1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000077615942 463012698 /nfs/dbraw/zinc/01/26/98/463012698.db2.gz SBTLNUUNGPVXFG-INIZCTEOSA-N 1 2 346.452 2.044 40 0 EEABLO O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088777615 462646417 /nfs/dbraw/zinc/64/64/17/462646417.db2.gz IILLRYSLCAHELN-JTQLQIEISA-N 1 2 327.356 2.256 40 0 EEABLO COc1cccc(Cl)c1CC(=O)NC[C@H](C)[N@@H+]1CCOC[C@@H]1C ZINC000153638831 462673436 /nfs/dbraw/zinc/67/34/36/462673436.db2.gz AXGJTUGFZIWZSG-STQMWFEESA-N 1 2 340.851 2.117 40 0 EEABLO COc1cccc(Cl)c1CC(=O)NC[C@H](C)[N@H+]1CCOC[C@@H]1C ZINC000153638831 462673441 /nfs/dbraw/zinc/67/34/41/462673441.db2.gz AXGJTUGFZIWZSG-STQMWFEESA-N 1 2 340.851 2.117 40 0 EEABLO C=Cn1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)n1 ZINC000012122462 462843722 /nfs/dbraw/zinc/84/37/22/462843722.db2.gz ZUGDXCCAWWGMCL-UHFFFAOYSA-N 1 2 348.410 2.408 40 0 EEABLO C=Cn1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)n1 ZINC000012122462 462843728 /nfs/dbraw/zinc/84/37/28/462843728.db2.gz ZUGDXCCAWWGMCL-UHFFFAOYSA-N 1 2 348.410 2.408 40 0 EEABLO COC[C@H](C)[NH+]1CCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000076615742 462885514 /nfs/dbraw/zinc/88/55/14/462885514.db2.gz DJZIBBGZEIWXJL-JTQLQIEISA-N 1 2 348.415 2.451 40 0 EEABLO C[C@](O)(CNC(=O)NCCc1[nH+]ccn1C(F)F)c1ccsc1 ZINC000077562027 463006615 /nfs/dbraw/zinc/00/66/15/463006615.db2.gz SRAZFBBMLWTRKZ-AWEZNQCLSA-N 1 2 344.387 2.089 40 0 EEABLO Cc1ncoc1C(=O)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096209228 463212599 /nfs/dbraw/zinc/21/25/99/463212599.db2.gz HHOSRCBNMBOIAA-RDTXWAMCSA-N 1 2 342.399 2.254 40 0 EEABLO O=C(Cc1ccco1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096219002 463216298 /nfs/dbraw/zinc/21/62/98/463216298.db2.gz XFZYYRJTRSDVFN-HNNXBMFYSA-N 1 2 329.400 2.104 40 0 EEABLO COCCc1noc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000096414963 463247124 /nfs/dbraw/zinc/24/71/24/463247124.db2.gz DYTCIOBCLIMFJU-CQSZACIVSA-N 1 2 347.390 2.493 40 0 EEABLO COCCc1noc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000096414963 463247127 /nfs/dbraw/zinc/24/71/27/463247127.db2.gz DYTCIOBCLIMFJU-CQSZACIVSA-N 1 2 347.390 2.493 40 0 EEABLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000159346459 463282020 /nfs/dbraw/zinc/28/20/20/463282020.db2.gz QQSZNYRXGBUDDA-OAHLLOKOSA-N 1 2 339.443 2.062 40 0 EEABLO CCS(=O)(=O)N1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000096489615 463284672 /nfs/dbraw/zinc/28/46/72/463284672.db2.gz JFANXDFPOHALOY-UHFFFAOYSA-N 1 2 345.468 2.216 40 0 EEABLO Cc1cc([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CCO2)ccn1 ZINC000257326966 463779110 /nfs/dbraw/zinc/77/91/10/463779110.db2.gz WZHDTXIILSZLJS-QGZVFWFLSA-N 1 2 349.394 2.184 40 0 EEABLO CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nc2ccsc2c1=O ZINC000188293796 464246863 /nfs/dbraw/zinc/24/68/63/464246863.db2.gz NKCVFUDWGQBSRS-NSHDSACASA-N 1 2 339.486 2.291 40 0 EEABLO CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nc2ccsc2c1=O ZINC000188293796 464246867 /nfs/dbraw/zinc/24/68/67/464246867.db2.gz NKCVFUDWGQBSRS-NSHDSACASA-N 1 2 339.486 2.291 40 0 EEABLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000239351876 464442016 /nfs/dbraw/zinc/44/20/16/464442016.db2.gz AAGQPRJGKOLKTB-UKRRQHHQSA-N 1 2 348.390 2.321 40 0 EEABLO CC[N@H+]1CC[C@@H](NS(=O)(=O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000239351876 464442022 /nfs/dbraw/zinc/44/20/22/464442022.db2.gz AAGQPRJGKOLKTB-UKRRQHHQSA-N 1 2 348.390 2.321 40 0 EEABLO CNS(=O)(=O)c1cccc2c1CC[N@@H+]([C@@H](C)c1ccccn1)C2 ZINC000240894776 464449050 /nfs/dbraw/zinc/44/90/50/464449050.db2.gz IPUHTFJQCAGXOD-ZDUSSCGKSA-N 1 2 331.441 2.109 40 0 EEABLO CNS(=O)(=O)c1cccc2c1CC[N@H+]([C@@H](C)c1ccccn1)C2 ZINC000240894776 464449055 /nfs/dbraw/zinc/44/90/55/464449055.db2.gz IPUHTFJQCAGXOD-ZDUSSCGKSA-N 1 2 331.441 2.109 40 0 EEABLO COc1ccccc1C[NH+]1CC2(C1)C[C@H](Oc1cnccn1)CCO2 ZINC000248119162 464730615 /nfs/dbraw/zinc/73/06/15/464730615.db2.gz CWEXIOFQCCOPOI-MRXNPFEDSA-N 1 2 341.411 2.298 40 0 EEABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2ncccc2F)cn1 ZINC000248110696 464731180 /nfs/dbraw/zinc/73/11/80/464731180.db2.gz HBKJRPDZCABEHY-OAHLLOKOSA-N 1 2 346.406 2.014 40 0 EEABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cn(C)cn2)[C@@H](C)C1 ZINC000252490033 464966776 /nfs/dbraw/zinc/96/67/76/464966776.db2.gz KHRQEYAKQOKVCM-HNNXBMFYSA-N 1 2 342.443 2.165 40 0 EEABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cn(C)cn2)[C@@H](C)C1 ZINC000252490033 464966782 /nfs/dbraw/zinc/96/67/82/464966782.db2.gz KHRQEYAKQOKVCM-HNNXBMFYSA-N 1 2 342.443 2.165 40 0 EEABLO O=C1NCC[N@@H+](C[C@@H]2CCOC2)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000582700857 468579026 /nfs/dbraw/zinc/57/90/26/468579026.db2.gz BRPVWZVRNLBOIA-SMDDNHRTSA-N 1 2 344.333 2.095 40 0 EEABLO O=C1NCC[N@H+](C[C@@H]2CCOC2)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000582700857 468579028 /nfs/dbraw/zinc/57/90/28/468579028.db2.gz BRPVWZVRNLBOIA-SMDDNHRTSA-N 1 2 344.333 2.095 40 0 EEABLO O=C(c1cnccn1)N1Cc2c[nH+]cn2CC[C@@H]1COc1ccccc1 ZINC000585097833 468965376 /nfs/dbraw/zinc/96/53/76/468965376.db2.gz RMSHWNQOGLCRHU-OAHLLOKOSA-N 1 2 349.394 2.167 40 0 EEABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccco1)C2)c1ccco1 ZINC000585103078 468971069 /nfs/dbraw/zinc/97/10/69/468971069.db2.gz PQZPBLALMLIORM-CQSZACIVSA-N 1 2 330.384 2.284 40 0 EEABLO Cc1ccccc1C[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000585288439 469009046 /nfs/dbraw/zinc/00/90/46/469009046.db2.gz AKCGNSDTFAQTDF-LLHDCHNASA-N 1 2 325.412 2.183 40 0 EEABLO C[NH+](C)Cc1csc(CNC(=O)Nc2cc3n(n2)CCCC3)n1 ZINC000931399418 1207370337 /nfs/dbraw/zinc/37/03/37/1207370337.db2.gz PNYAGSXSBJPTRF-UHFFFAOYSA-N 1 2 334.449 2.059 40 0 EEABLO O=C(CCn1ncc2c1cccc2Cl)NCCCn1cc[nH+]c1 ZINC000040769128 213384519 /nfs/dbraw/zinc/38/45/19/213384519.db2.gz ZSFURKGHOFVMSU-UHFFFAOYSA-N 1 2 331.807 2.483 40 0 EEABLO Cc1n[nH]c(C)c1Cc1ccc(C(=O)NCCCn2cc[nH+]c2)o1 ZINC000035670808 213044955 /nfs/dbraw/zinc/04/49/55/213044955.db2.gz FLMBVLDKLPGWLR-UHFFFAOYSA-N 1 2 327.388 2.227 40 0 EEABLO Cc1nc(-c2cccs2)ccc1C(=O)NCC[NH+]1CCOCC1 ZINC000130924657 223187923 /nfs/dbraw/zinc/18/79/23/223187923.db2.gz UPDLXUSVZSADQG-UHFFFAOYSA-N 1 2 331.441 2.181 40 0 EEABLO Cc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccccc1 ZINC000021537926 212230312 /nfs/dbraw/zinc/23/03/12/212230312.db2.gz FZUZOYJLYYZLSY-UHFFFAOYSA-N 1 2 349.438 2.401 40 0 EEABLO O=C(CCc1cccs1)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257201463 244122585 /nfs/dbraw/zinc/12/25/85/244122585.db2.gz AHUWFTCXCDBMAP-GOSISDBHSA-N 1 2 345.468 2.223 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)[nH+]1 ZINC000257268280 244366470 /nfs/dbraw/zinc/36/64/70/244366470.db2.gz MKZKXWHUOFLOBB-OAHLLOKOSA-N 1 2 336.399 2.287 40 0 EEABLO C[C@H](c1ccccc1F)[NH+]1CCN(C(=O)CCCn2cncn2)CC1 ZINC000079049916 217181688 /nfs/dbraw/zinc/18/16/88/217181688.db2.gz SFHIHMHBQUFKBQ-OAHLLOKOSA-N 1 2 345.422 2.103 40 0 EEABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1cccc(O)c1)C2 ZINC000012142862 211305486 /nfs/dbraw/zinc/30/54/86/211305486.db2.gz KIXNZSPDEKXLAU-UHFFFAOYSA-N 1 2 334.379 2.096 40 0 EEABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1cccc(O)c1)C2 ZINC000012142862 211305488 /nfs/dbraw/zinc/30/54/88/211305488.db2.gz KIXNZSPDEKXLAU-UHFFFAOYSA-N 1 2 334.379 2.096 40 0 EEABLO O=C(N[C@H]1COc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000097096528 218951213 /nfs/dbraw/zinc/95/12/13/218951213.db2.gz XCEFOOBAHOMFCG-KRWDZBQOSA-N 1 2 338.411 2.043 40 0 EEABLO O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)[NH+](CCO)CCO ZINC000004974187 210345002 /nfs/dbraw/zinc/34/50/02/210345002.db2.gz UWKZKLONMLKSDP-QGZVFWFLSA-N 1 2 348.830 2.306 40 0 EEABLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057363971 132200183 /nfs/dbraw/zinc/20/01/83/132200183.db2.gz ZXKVZWKPQWNGDK-YJBOKZPZSA-N 1 2 331.460 2.209 40 0 EEABLO COc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000166137632 226149239 /nfs/dbraw/zinc/14/92/39/226149239.db2.gz PGUNSHRGGSNLHE-AWEZNQCLSA-N 1 2 347.440 2.038 40 0 EEABLO COc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)on1 ZINC000097373101 323322490 /nfs/dbraw/zinc/32/24/90/323322490.db2.gz SHRZJRPUJBCGKX-UHFFFAOYSA-N 1 2 330.388 2.389 40 0 EEABLO Cc1cc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)sc1C ZINC000091047226 462826584 /nfs/dbraw/zinc/82/65/84/462826584.db2.gz UDNNXRKYSCBMTN-ZDUSSCGKSA-N 1 2 337.470 2.317 40 0 EEABLO Cc1nnc(C[N@H+](C)CCOc2ccc3c(C)cc(=O)oc3c2)n1C ZINC000077655446 463017853 /nfs/dbraw/zinc/01/78/53/463017853.db2.gz OPMFZYUPUXPNQE-UHFFFAOYSA-N 1 2 342.399 2.049 40 0 EEABLO Cc1nnc(C[N@@H+](C)CCOc2ccc3c(C)cc(=O)oc3c2)n1C ZINC000077655446 463017858 /nfs/dbraw/zinc/01/78/58/463017858.db2.gz OPMFZYUPUXPNQE-UHFFFAOYSA-N 1 2 342.399 2.049 40 0 EEABLO Cc1occc1C(=O)N1CC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219119 463216655 /nfs/dbraw/zinc/21/66/55/463216655.db2.gz WZPFTCBPGYXEIY-KSSFIOAISA-N 1 2 327.384 2.469 40 0 EEABLO CCOc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccn1 ZINC000096409817 463242664 /nfs/dbraw/zinc/24/26/64/463242664.db2.gz DHEVSLQCHBOPNP-UHFFFAOYSA-N 1 2 326.400 2.406 40 0 EEABLO C[C@H](NC(=O)COC[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432096 463261305 /nfs/dbraw/zinc/26/13/05/463261305.db2.gz YONALOFQUAJLIP-WMLDXEAASA-N 1 2 329.400 2.245 40 0 EEABLO Cc1nc2c(ncnc2NCC2([NH+]3CCOCC3)CCCCC2)[nH]1 ZINC000041121277 463468788 /nfs/dbraw/zinc/46/87/88/463468788.db2.gz ZNTAHNHZTUUJGV-UHFFFAOYSA-N 1 2 330.436 2.108 40 0 EEABLO Cc1n[nH]c(C)c1CCC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257297416 463767736 /nfs/dbraw/zinc/76/77/36/463767736.db2.gz RHEBUQOXFCJOKE-MRXNPFEDSA-N 1 2 341.459 2.482 40 0 EEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)[nH+]1 ZINC000257313175 463773200 /nfs/dbraw/zinc/77/32/00/463773200.db2.gz URHJFEYGDFSXDL-CYBMUJFWSA-N 1 2 327.384 2.129 40 0 EEABLO O=C1c2ccccc2CCN1CC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000195128009 463999737 /nfs/dbraw/zinc/99/97/37/463999737.db2.gz YRSBBPRTXWXSQS-SFHVURJKSA-N 1 2 347.422 2.182 40 0 EEABLO C[C@@](O)(CNc1cc(N2CCOCC2)nc[nH+]1)c1ccccc1Cl ZINC000225485836 464165555 /nfs/dbraw/zinc/16/55/55/464165555.db2.gz ZDCHOCPTTLZSGB-QGZVFWFLSA-N 1 2 348.834 2.286 40 0 EEABLO C[C@@](O)(CNc1cc(N2CCOCC2)[nH+]cn1)c1ccccc1Cl ZINC000225485836 464165556 /nfs/dbraw/zinc/16/55/56/464165556.db2.gz ZDCHOCPTTLZSGB-QGZVFWFLSA-N 1 2 348.834 2.286 40 0 EEABLO COc1ccc2c(c1)CCN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC000225516039 464168334 /nfs/dbraw/zinc/16/83/34/464168334.db2.gz LCFRZSLYQVQHNR-AWEZNQCLSA-N 1 2 325.412 2.417 40 0 EEABLO COc1ccc2c(c1)CCN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC000225516039 464168339 /nfs/dbraw/zinc/16/83/39/464168339.db2.gz LCFRZSLYQVQHNR-AWEZNQCLSA-N 1 2 325.412 2.417 40 0 EEABLO Fc1ccc([C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2ncc[nH]2)cc1 ZINC000188376347 464266534 /nfs/dbraw/zinc/26/65/34/464266534.db2.gz ANDUSRWMLULYOX-HZPDHXFCSA-N 1 2 347.390 2.150 40 0 EEABLO O=C([C@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21)N1CCC1 ZINC000247892465 464712988 /nfs/dbraw/zinc/71/29/88/464712988.db2.gz ZAPNUXVEMSZLLQ-LJQANCHMSA-N 1 2 347.422 2.221 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)o1 ZINC000248077373 464727957 /nfs/dbraw/zinc/72/79/57/464727957.db2.gz HTFCMGOLWFENPO-GUDVDZBRSA-N 1 2 340.423 2.494 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)o1 ZINC000248077373 464727964 /nfs/dbraw/zinc/72/79/64/464727964.db2.gz HTFCMGOLWFENPO-GUDVDZBRSA-N 1 2 340.423 2.494 40 0 EEABLO CO[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000191237503 464805436 /nfs/dbraw/zinc/80/54/36/464805436.db2.gz KMVPOYSLXAMEKY-IAGOWNOFSA-N 1 2 328.416 2.298 40 0 EEABLO Fc1cccc(Cl)c1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000298164919 465320156 /nfs/dbraw/zinc/32/01/56/465320156.db2.gz UUMCZMSSWZFTMV-UHFFFAOYSA-N 1 2 346.797 2.239 40 0 EEABLO C[C@@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1Cc1cn[nH]c1 ZINC000585096781 468964562 /nfs/dbraw/zinc/96/45/62/468964562.db2.gz AFKMAXBKCGXDQQ-CQSZACIVSA-N 1 2 338.415 2.200 40 0 EEABLO C[C@@H]1c2ncc(CCOc3ccccn3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585096781 468964567 /nfs/dbraw/zinc/96/45/67/468964567.db2.gz AFKMAXBKCGXDQQ-CQSZACIVSA-N 1 2 338.415 2.200 40 0 EEABLO C[C@@H]1c2ncc(CCOc3ccccn3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585096781 468964571 /nfs/dbraw/zinc/96/45/71/468964571.db2.gz AFKMAXBKCGXDQQ-CQSZACIVSA-N 1 2 338.415 2.200 40 0 EEABLO O=C(CN1CCCCCC1=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000585124100 468983515 /nfs/dbraw/zinc/98/35/15/468983515.db2.gz WZQADMBFVJSERR-QGZVFWFLSA-N 1 2 344.390 2.157 40 0 EEABLO CO[C@@]1(COc2ccccc2C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000585275813 469000294 /nfs/dbraw/zinc/00/02/94/469000294.db2.gz FSPFTEOGOCCKKG-IBGZPJMESA-N 1 2 343.427 2.278 40 0 EEABLO CC(C)(C)C[N@@H+]1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257211586 534604403 /nfs/dbraw/zinc/60/44/03/534604403.db2.gz BZKWARJLSMWQIU-AWEZNQCLSA-N 1 2 328.420 2.430 40 0 EEABLO CC(C)(C)C[N@H+]1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257211586 534604408 /nfs/dbraw/zinc/60/44/08/534604408.db2.gz BZKWARJLSMWQIU-AWEZNQCLSA-N 1 2 328.420 2.430 40 0 EEABLO COc1cccc(S(=O)(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000257202040 537135959 /nfs/dbraw/zinc/13/59/59/537135959.db2.gz AKFFXIUWBGKXAA-CQSZACIVSA-N 1 2 347.440 2.038 40 0 EEABLO CC[C@@H]1CN(C(=O)CC(C)C)[C@H](CO)[C@@H]1C[N@@H+]1CCC(F)(F)C1 ZINC001772594880 1178831019 /nfs/dbraw/zinc/83/10/19/1178831019.db2.gz CUODJGUMCORNCG-RBSFLKMASA-N 1 2 332.435 2.219 40 0 EEABLO CC[C@@H]1CN(C(=O)CC(C)C)[C@H](CO)[C@@H]1C[N@H+]1CCC(F)(F)C1 ZINC001772594880 1178831026 /nfs/dbraw/zinc/83/10/26/1178831026.db2.gz CUODJGUMCORNCG-RBSFLKMASA-N 1 2 332.435 2.219 40 0 EEABLO CCC[NH+]1CCN(C(=O)CSc2nc3ccc(OC)cc3[nH]2)CC1 ZINC000020197215 212110671 /nfs/dbraw/zinc/11/06/71/212110671.db2.gz MPNYNAXYGYKRIQ-UHFFFAOYSA-N 1 2 348.472 2.218 40 0 EEABLO Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccncc1 ZINC000097953772 219064542 /nfs/dbraw/zinc/06/45/42/219064542.db2.gz QEXRUZULIFTJQF-YESZJQIVSA-N 1 2 329.375 2.427 40 0 EEABLO Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccncc1 ZINC000097953772 219064544 /nfs/dbraw/zinc/06/45/44/219064544.db2.gz QEXRUZULIFTJQF-YESZJQIVSA-N 1 2 329.375 2.427 40 0 EEABLO O=C(NCCOc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068509683 215314406 /nfs/dbraw/zinc/31/44/06/215314406.db2.gz NRFGPKBWIKAFMX-UHFFFAOYSA-N 1 2 340.423 2.328 40 0 EEABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)Cc1cccs1 ZINC000257222158 244188157 /nfs/dbraw/zinc/18/81/57/244188157.db2.gz DSEAXDQLLPOCRS-SFHVURJKSA-N 1 2 345.468 2.176 40 0 EEABLO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257230015 244211328 /nfs/dbraw/zinc/21/13/28/244211328.db2.gz GAKBPXQCBSJGKF-INIZCTEOSA-N 1 2 327.432 2.394 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257267769 244367194 /nfs/dbraw/zinc/36/71/94/244367194.db2.gz MIRSXSGSMIWDSJ-OAHLLOKOSA-N 1 2 338.415 2.341 40 0 EEABLO Cc1cc2nc(C3CCN(C(=O)CCn4cc[nH+]c4)CC3)ccn2n1 ZINC000257275852 244390565 /nfs/dbraw/zinc/39/05/65/244390565.db2.gz NRFGGODHJFLUCX-UHFFFAOYSA-N 1 2 338.415 2.031 40 0 EEABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](Oc3ccccn3)C2)n(C)n1 ZINC000306132484 257920588 /nfs/dbraw/zinc/92/05/88/257920588.db2.gz LKQMLFBCBCNVHL-SFHVURJKSA-N 1 2 337.427 2.388 40 0 EEABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](Oc3ccccn3)C2)n(C)n1 ZINC000306132484 257920589 /nfs/dbraw/zinc/92/05/89/257920589.db2.gz LKQMLFBCBCNVHL-SFHVURJKSA-N 1 2 337.427 2.388 40 0 EEABLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057363973 132200140 /nfs/dbraw/zinc/20/01/40/132200140.db2.gz ZXKVZWKPQWNGDK-MAUKXSAKSA-N 1 2 331.460 2.209 40 0 EEABLO COc1ccc([C@H]2C[N@H+](Cc3cnc(N(C)C)nc3)CCN2C)cc1 ZINC000257276002 274117831 /nfs/dbraw/zinc/11/78/31/274117831.db2.gz NRYSLJWWQXANNS-GOSISDBHSA-N 1 2 341.459 2.040 40 0 EEABLO COc1ccc([C@H]2C[N@@H+](Cc3cnc(N(C)C)nc3)CCN2C)cc1 ZINC000257276002 274117833 /nfs/dbraw/zinc/11/78/33/274117833.db2.gz NRYSLJWWQXANNS-GOSISDBHSA-N 1 2 341.459 2.040 40 0 EEABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530076563 317683874 /nfs/dbraw/zinc/68/38/74/317683874.db2.gz QMZFJGUZBABFLL-QGZVFWFLSA-N 1 2 349.394 2.404 40 0 EEABLO COCCCNC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013836813 462905382 /nfs/dbraw/zinc/90/53/82/462905382.db2.gz FDMDDKVOSMFINF-WEVVVXLNSA-N 1 2 333.501 2.228 40 0 EEABLO O=C(NCCNc1ccc2ccccc2[nH+]1)C(=O)Nc1ccccc1 ZINC000077821335 463056281 /nfs/dbraw/zinc/05/62/81/463056281.db2.gz ZTKBJMARBPJXSN-UHFFFAOYSA-N 1 2 334.379 2.402 40 0 EEABLO COc1ccc(OCc2n[nH]c([C@@H]([NH3+])c3cccc(OC)c3)n2)cc1 ZINC000095533549 463107422 /nfs/dbraw/zinc/10/74/22/463107422.db2.gz BYJLYRZBVVPDKE-KRWDZBQOSA-N 1 2 340.383 2.449 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)o1 ZINC000096080571 463169150 /nfs/dbraw/zinc/16/91/50/463169150.db2.gz NUEJYBTUKRXYIW-WMZOPIPTSA-N 1 2 346.452 2.234 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)o1 ZINC000096080571 463169152 /nfs/dbraw/zinc/16/91/52/463169152.db2.gz NUEJYBTUKRXYIW-WMZOPIPTSA-N 1 2 346.452 2.234 40 0 EEABLO Cc1nc(CN2CCCn3c(C[NH+]4CCCC4)nnc3C2)cs1 ZINC000096084803 463171019 /nfs/dbraw/zinc/17/10/19/463171019.db2.gz OYGYIVNQOAGGQN-UHFFFAOYSA-N 1 2 332.477 2.045 40 0 EEABLO Cn1c(CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2F)nc2ccccc21 ZINC000096112201 463179867 /nfs/dbraw/zinc/17/98/67/463179867.db2.gz SMBZESRYYBNCOX-DOMZBBRYSA-N 1 2 329.379 2.036 40 0 biogenic,in-vitro EEABLO Cc1ccsc1C(=O)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188577 463200678 /nfs/dbraw/zinc/20/06/78/463200678.db2.gz RNLSXVRYXABEDU-CQSZACIVSA-N 1 2 341.440 2.422 40 0 EEABLO CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@@H](C)O1 ZINC000096405586 463239452 /nfs/dbraw/zinc/23/94/52/463239452.db2.gz IWVOTPQMZAMZIG-GHMZBOCLSA-N 1 2 334.342 2.154 40 0 EEABLO Cc1cc(C)c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c(=O)[nH]1 ZINC000096444608 463269860 /nfs/dbraw/zinc/26/98/60/463269860.db2.gz FABNFOAIWXJABI-UHFFFAOYSA-N 1 2 340.427 2.307 40 0 EEABLO Cc1ncsc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000096503148 463292514 /nfs/dbraw/zinc/29/25/14/463292514.db2.gz GIBQZBNHMZRZLJ-AWEZNQCLSA-N 1 2 345.472 2.435 40 0 EEABLO Cc1nc(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)cc[nH+]1 ZINC000097376476 463356930 /nfs/dbraw/zinc/35/69/30/463356930.db2.gz QPVPICDSHMMKIR-DLBZAZTESA-N 1 2 337.427 2.173 40 0 EEABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000044448783 463678901 /nfs/dbraw/zinc/67/89/01/463678901.db2.gz BVGROZCKXVQLDB-UHFFFAOYSA-N 1 2 347.390 2.154 40 0 EEABLO CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000044896767 463699755 /nfs/dbraw/zinc/69/97/55/463699755.db2.gz IZYUHTPLOSEXAY-UHFFFAOYSA-N 1 2 336.351 2.268 40 0 EEABLO Cc1[nH+]cc(-c2cncc(C3CCN(c4ccncn4)CC3)n2)n1C ZINC000257281747 463759455 /nfs/dbraw/zinc/75/94/55/463759455.db2.gz OQUDMDADNJUXCP-UHFFFAOYSA-N 1 2 335.415 2.360 40 0 EEABLO COc1ccc([C@H]2C[N@H+](Cc3cccnc3)CCN2C(C)=O)cc1 ZINC000257306011 463770565 /nfs/dbraw/zinc/77/05/65/463770565.db2.gz SSMPSCGQNBGNHB-LJQANCHMSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccc([C@H]2C[N@@H+](Cc3cccnc3)CCN2C(C)=O)cc1 ZINC000257306011 463770568 /nfs/dbraw/zinc/77/05/68/463770568.db2.gz SSMPSCGQNBGNHB-LJQANCHMSA-N 1 2 325.412 2.496 40 0 EEABLO Cc1[nH+]cc(-c2nccnc2C[C@H]2CCCN(c3cnccn3)C2)n1C ZINC000257308227 463772495 /nfs/dbraw/zinc/77/24/95/463772495.db2.gz TVXSWIGKYIZMLK-OAHLLOKOSA-N 1 2 349.442 2.435 40 0 EEABLO CCCn1nc(C)c(C(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)c1C ZINC000257319364 463776436 /nfs/dbraw/zinc/77/64/36/463776436.db2.gz VSBKGLNSBWAYIS-AWEZNQCLSA-N 1 2 331.420 2.155 40 0 EEABLO Cc1c(CCC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)cnn1C ZINC000257319995 463776841 /nfs/dbraw/zinc/77/68/41/463776841.db2.gz VUXOHYKHBGPRGC-QGZVFWFLSA-N 1 2 341.459 2.184 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)CC3CCCC3)CC[N@@H+]2C)c1 ZINC000257330825 463780834 /nfs/dbraw/zinc/78/08/34/463780834.db2.gz XQFJGLSSZKAUGZ-SFHVURJKSA-N 1 2 343.471 2.442 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)CC3CCCC3)CC[N@H+]2C)c1 ZINC000257330825 463780840 /nfs/dbraw/zinc/78/08/40/463780840.db2.gz XQFJGLSSZKAUGZ-SFHVURJKSA-N 1 2 343.471 2.442 40 0 EEABLO Cc1cccc(OC[C@H](O)CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000277359414 463912490 /nfs/dbraw/zinc/91/24/90/463912490.db2.gz GVBXSDIRYLYXBL-OAHLLOKOSA-N 1 2 328.416 2.237 40 0 EEABLO Cc1cccc(OC[C@H](O)CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000277359414 463912495 /nfs/dbraw/zinc/91/24/95/463912495.db2.gz GVBXSDIRYLYXBL-OAHLLOKOSA-N 1 2 328.416 2.237 40 0 EEABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Cc1ccccc1 ZINC000224352222 464151738 /nfs/dbraw/zinc/15/17/38/464151738.db2.gz YARWIYNBINOYOG-UHFFFAOYSA-N 1 2 325.416 2.324 40 0 EEABLO Nc1[nH+]cnc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)c1Cl ZINC000225480921 464163298 /nfs/dbraw/zinc/16/32/98/464163298.db2.gz KTTHWSZQFMCDMI-CYBMUJFWSA-N 1 2 345.834 2.215 40 0 EEABLO Nc1nc[nH+]c(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)c1Cl ZINC000225480921 464163303 /nfs/dbraw/zinc/16/33/03/464163303.db2.gz KTTHWSZQFMCDMI-CYBMUJFWSA-N 1 2 345.834 2.215 40 0 EEABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccnc1OC(C)C)C2 ZINC000225520879 464168045 /nfs/dbraw/zinc/16/80/45/464168045.db2.gz DTFOHWJLNJXNEE-CYBMUJFWSA-N 1 2 328.416 2.322 40 0 EEABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccnc1OC(C)C)CC2 ZINC000225520879 464168050 /nfs/dbraw/zinc/16/80/50/464168050.db2.gz DTFOHWJLNJXNEE-CYBMUJFWSA-N 1 2 328.416 2.322 40 0 EEABLO Cc1n[nH]c(C)c1CC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000225547404 464171324 /nfs/dbraw/zinc/17/13/24/464171324.db2.gz CERBYLANHZWMBW-CYBMUJFWSA-N 1 2 344.434 2.441 40 0 EEABLO Cc1n[nH]c(C)c1CC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000225547404 464171328 /nfs/dbraw/zinc/17/13/28/464171328.db2.gz CERBYLANHZWMBW-CYBMUJFWSA-N 1 2 344.434 2.441 40 0 EEABLO O=C(CO[C@@H]1Cn2cccc2C[N@H+](Cc2ccco2)C1)N1CCCC1 ZINC000247741246 464705162 /nfs/dbraw/zinc/70/51/62/464705162.db2.gz OMNGAAFGQRZBCP-SFHVURJKSA-N 1 2 343.427 2.105 40 0 EEABLO O=C(CO[C@@H]1Cn2cccc2C[N@@H+](Cc2ccco2)C1)N1CCCC1 ZINC000247741246 464705168 /nfs/dbraw/zinc/70/51/68/464705168.db2.gz OMNGAAFGQRZBCP-SFHVURJKSA-N 1 2 343.427 2.105 40 0 EEABLO Cc1cc(C(=O)N2CC[C@@H]3CCN(c4cccc[nH+]4)[C@H]3CC2)[nH]n1 ZINC000306131222 466492290 /nfs/dbraw/zinc/49/22/90/466492290.db2.gz JYULBKPQFRTIBD-ZBFHGGJFSA-N 1 2 325.416 2.244 40 0 EEABLO Cc1cc(C(=O)N2CC[C@@H]3CCN(c4cccc[nH+]4)[C@H]3CC2)n[nH]1 ZINC000306131222 466492296 /nfs/dbraw/zinc/49/22/96/466492296.db2.gz JYULBKPQFRTIBD-ZBFHGGJFSA-N 1 2 325.416 2.244 40 0 EEABLO O=C1NCC[N@@H+](C[C@@H]2CCOC2)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000582700855 468578395 /nfs/dbraw/zinc/57/83/95/468578395.db2.gz BRPVWZVRNLBOIA-FZMZJTMJSA-N 1 2 344.333 2.095 40 0 EEABLO O=C1NCC[N@H+](C[C@@H]2CCOC2)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000582700855 468578397 /nfs/dbraw/zinc/57/83/97/468578397.db2.gz BRPVWZVRNLBOIA-FZMZJTMJSA-N 1 2 344.333 2.095 40 0 EEABLO COC[C@@]1(CC(=O)N(C)C)C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000585278006 469003635 /nfs/dbraw/zinc/00/36/35/469003635.db2.gz ONVSCEHSMHQHKV-QGZVFWFLSA-N 1 2 340.851 2.036 40 0 EEABLO COC[C@@]1(CC(=O)N(C)C)C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000585278006 469003639 /nfs/dbraw/zinc/00/36/39/469003639.db2.gz ONVSCEHSMHQHKV-QGZVFWFLSA-N 1 2 340.851 2.036 40 0 EEABLO Cc1cc(N2CCC[C@@H](c3nccnc3Nc3ncccn3)C2)nc[nH+]1 ZINC000072369016 216176492 /nfs/dbraw/zinc/17/64/92/216176492.db2.gz KNAJKZBULMLPTH-CQSZACIVSA-N 1 2 348.414 2.493 40 0 EEABLO CC(C)C[C@@H]1COCCN1C(=O)NCCc1[nH+]ccn1C(F)F ZINC000073056381 216345587 /nfs/dbraw/zinc/34/55/87/216345587.db2.gz BCBPXNHKVQUWPK-GFCCVEGCSA-N 1 2 330.379 2.277 40 0 EEABLO CC(C)CC(=O)Nc1cnc(N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000075161882 216590960 /nfs/dbraw/zinc/59/09/60/216590960.db2.gz ASESDWQFWGCBNI-UHFFFAOYSA-N 1 2 340.431 2.183 40 0 EEABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cccc(-n2cnnc2)c1 ZINC000257245811 244256145 /nfs/dbraw/zinc/25/61/45/244256145.db2.gz IREIRFDUZKVWJS-INIZCTEOSA-N 1 2 348.410 2.061 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000257242560 244247053 /nfs/dbraw/zinc/24/70/53/244247053.db2.gz IDCWXXCSLWLAHV-RTBURBONSA-N 1 2 337.423 2.002 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000257242560 244247058 /nfs/dbraw/zinc/24/70/58/244247058.db2.gz IDCWXXCSLWLAHV-RTBURBONSA-N 1 2 337.423 2.002 40 0 EEABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000019500348 212034146 /nfs/dbraw/zinc/03/41/46/212034146.db2.gz NAFBMLISHYDOIJ-OAHLLOKOSA-N 1 2 347.434 2.385 40 0 EEABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1cccc(O)c1)CC2 ZINC000019403176 212025509 /nfs/dbraw/zinc/02/55/09/212025509.db2.gz KMDDXOKOGSLLNN-UHFFFAOYSA-N 1 2 334.379 2.096 40 0 EEABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1cccc(O)c1)CC2 ZINC000019403176 212025514 /nfs/dbraw/zinc/02/55/14/212025514.db2.gz KMDDXOKOGSLLNN-UHFFFAOYSA-N 1 2 334.379 2.096 40 0 EEABLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cnn(C)c2)c(OC)c1 ZINC000019290724 212012144 /nfs/dbraw/zinc/01/21/44/212012144.db2.gz IONPCDBFNBHIMR-MRXNPFEDSA-N 1 2 344.415 2.213 40 0 EEABLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cnn(C)c2)c(OC)c1 ZINC000019290724 212012148 /nfs/dbraw/zinc/01/21/48/212012148.db2.gz IONPCDBFNBHIMR-MRXNPFEDSA-N 1 2 344.415 2.213 40 0 EEABLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000265282719 247369038 /nfs/dbraw/zinc/36/90/38/247369038.db2.gz NJLOUYOANTVSSC-CYBMUJFWSA-N 1 2 326.400 2.466 40 0 EEABLO Cn1cc[nH+]c1CNC(=O)NCCc1ccccc1OC(F)(F)F ZINC000096461978 218844396 /nfs/dbraw/zinc/84/43/96/218844396.db2.gz SQGJIFZWDCGRSC-UHFFFAOYSA-N 1 2 342.321 2.361 40 0 EEABLO CC(C)[C@@H](O)Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000097379287 219020110 /nfs/dbraw/zinc/02/01/10/219020110.db2.gz VEZZKUHPNFRNIW-INIZCTEOSA-N 1 2 331.416 2.128 40 0 EEABLO O=C(Cn1cc[nH+]c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000097375207 323322272 /nfs/dbraw/zinc/32/22/72/323322272.db2.gz SBXHATHNMWZSDF-UHFFFAOYSA-N 1 2 338.180 2.370 40 0 EEABLO CC[C@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1nccs1 ZINC000097376461 323322312 /nfs/dbraw/zinc/32/23/12/323322312.db2.gz RVPGXZYIZTZFHT-ZDUSSCGKSA-N 1 2 346.460 2.224 40 0 EEABLO O=C(NC[C@H](O)c1cccc(OC(F)F)c1)c1ccn2cc[nH+]c2c1 ZINC000089332394 462667279 /nfs/dbraw/zinc/66/72/79/462667279.db2.gz UJCOSNPHAVMMMZ-AWEZNQCLSA-N 1 2 347.321 2.399 40 0 EEABLO CC(C)Cn1cnc(S(=O)(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000153889863 462705422 /nfs/dbraw/zinc/70/54/22/462705422.db2.gz HQWVQBBZCQXITD-UHFFFAOYSA-N 1 2 336.461 2.402 40 0 EEABLO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)cc1OC ZINC000095533816 463107293 /nfs/dbraw/zinc/10/72/93/463107293.db2.gz UBZMFIGWGWFSLY-HNNXBMFYSA-N 1 2 326.356 2.243 40 0 EEABLO COc1ccc([C@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)cc1OC ZINC000095533816 463107298 /nfs/dbraw/zinc/10/72/98/463107298.db2.gz UBZMFIGWGWFSLY-HNNXBMFYSA-N 1 2 326.356 2.243 40 0 EEABLO Cc1nc(C)n(C[C@H]2Cn3cc[nH+]c3CN(Cc3ccoc3)C2)n1 ZINC000096067145 463164939 /nfs/dbraw/zinc/16/49/39/463164939.db2.gz JXAYHVDAQFGLRX-MRXNPFEDSA-N 1 2 326.404 2.017 40 0 EEABLO O=C(Cc1ccco1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096219000 463216960 /nfs/dbraw/zinc/21/69/60/463216960.db2.gz XFZYYRJTRSDVFN-OAHLLOKOSA-N 1 2 329.400 2.104 40 0 EEABLO C[C@H](Oc1cccc(Br)c1)C(=O)NCc1[nH+]ccn1C ZINC000096426403 463256173 /nfs/dbraw/zinc/25/61/73/463256173.db2.gz UKRBPRZGLIERMU-JTQLQIEISA-N 1 2 338.205 2.266 40 0 EEABLO O=C(NCC[NH+]1CCOCC1)Nc1ccc(Br)c(F)c1 ZINC000096435443 463263889 /nfs/dbraw/zinc/26/38/89/463263889.db2.gz FELCDODFGAFPJI-UHFFFAOYSA-N 1 2 346.200 2.042 40 0 EEABLO Clc1cnc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc1 ZINC000096469777 463278318 /nfs/dbraw/zinc/27/83/18/463278318.db2.gz XKSHHNVKVJFNCU-JKSUJKDBSA-N 1 2 330.819 2.220 40 0 EEABLO Clc1cnc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc1 ZINC000096469777 463278321 /nfs/dbraw/zinc/27/83/21/463278321.db2.gz XKSHHNVKVJFNCU-JKSUJKDBSA-N 1 2 330.819 2.220 40 0 EEABLO O=C(CC1CCCCC1)NC1CC[NH+](Cc2cc(=O)c(O)co2)CC1 ZINC000084338721 463595245 /nfs/dbraw/zinc/59/52/45/463595245.db2.gz SJMRHWPESODTCO-UHFFFAOYSA-N 1 2 348.443 2.396 40 0 EEABLO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257294915 463765778 /nfs/dbraw/zinc/76/57/78/463765778.db2.gz QWGYZPIHWTYCOR-OAHLLOKOSA-N 1 2 333.457 2.122 40 0 EEABLO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257294915 463765783 /nfs/dbraw/zinc/76/57/83/463765783.db2.gz QWGYZPIHWTYCOR-OAHLLOKOSA-N 1 2 333.457 2.122 40 0 EEABLO Cc1cn(C)c([C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000257294915 463765787 /nfs/dbraw/zinc/76/57/87/463765787.db2.gz QWGYZPIHWTYCOR-OAHLLOKOSA-N 1 2 333.457 2.122 40 0 EEABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1ccsc1 ZINC000257293892 463766347 /nfs/dbraw/zinc/76/63/47/463766347.db2.gz QRQBEBSFZBVILX-QGZVFWFLSA-N 1 2 331.441 2.247 40 0 EEABLO O=C(CO[C@H]1Cn2cccc2C[N@H+](Cc2ccco2)C1)N1CCCC1 ZINC000247741241 464705315 /nfs/dbraw/zinc/70/53/15/464705315.db2.gz OMNGAAFGQRZBCP-GOSISDBHSA-N 1 2 343.427 2.105 40 0 EEABLO O=C(CO[C@H]1Cn2cccc2C[N@@H+](Cc2ccco2)C1)N1CCCC1 ZINC000247741241 464705321 /nfs/dbraw/zinc/70/53/21/464705321.db2.gz OMNGAAFGQRZBCP-GOSISDBHSA-N 1 2 343.427 2.105 40 0 EEABLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000192061626 464858413 /nfs/dbraw/zinc/85/84/13/464858413.db2.gz CIOZFQXCPYEKNL-XJKSGUPXSA-N 1 2 335.452 2.119 40 0 EEABLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@@H]21 ZINC000253418309 465006526 /nfs/dbraw/zinc/00/65/26/465006526.db2.gz GEIQWNFGFPQSCJ-WDEREUQCSA-N 1 2 344.337 2.037 40 0 EEABLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@@H]21 ZINC000253418309 465006531 /nfs/dbraw/zinc/00/65/31/465006531.db2.gz GEIQWNFGFPQSCJ-WDEREUQCSA-N 1 2 344.337 2.037 40 0 EEABLO COc1cc[nH+]c(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1OC ZINC000253428832 465012567 /nfs/dbraw/zinc/01/25/67/465012567.db2.gz MDPHZGIWDDKXOR-CQSZACIVSA-N 1 2 332.404 2.012 40 0 EEABLO CN1C(=O)c2cccnc2O[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000514289645 467941999 /nfs/dbraw/zinc/94/19/99/467941999.db2.gz MWLKANGDXKQPKR-CVEARBPZSA-N 1 2 343.814 2.452 40 0 biogenic,in-vitro EEABLO CN1C(=O)c2cccnc2O[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000514289645 467942001 /nfs/dbraw/zinc/94/20/01/467942001.db2.gz MWLKANGDXKQPKR-CVEARBPZSA-N 1 2 343.814 2.452 40 0 biogenic,in-vitro EEABLO O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)[NH+](CCO)CCO ZINC000004974186 304001879 /nfs/dbraw/zinc/00/18/79/304001879.db2.gz UWKZKLONMLKSDP-KRWDZBQOSA-N 1 2 348.830 2.306 40 0 EEABLO Cc1oc(-c2ccccc2)nc1C(=O)NCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000040047526 213254649 /nfs/dbraw/zinc/25/46/49/213254649.db2.gz ZRXVDOYCFIHLOY-KBPBESRZSA-N 1 2 343.427 2.489 40 0 EEABLO c1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2C2CC2)ccn1 ZINC000072340326 216158470 /nfs/dbraw/zinc/15/84/70/216158470.db2.gz QKHIHFJVGIREKL-UHFFFAOYSA-N 1 2 325.416 2.160 40 0 EEABLO Cc1cc(N2CCC[C@H](c3nccnc3Nc3ncccn3)C2)nc[nH+]1 ZINC000072369015 216176081 /nfs/dbraw/zinc/17/60/81/216176081.db2.gz KNAJKZBULMLPTH-AWEZNQCLSA-N 1 2 348.414 2.493 40 0 EEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)[nH+]1 ZINC000257273925 244387118 /nfs/dbraw/zinc/38/71/18/244387118.db2.gz NIUHPOGSBWJZOD-CYBMUJFWSA-N 1 2 337.379 2.465 40 0 EEABLO Cc1cc(OCC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)no1 ZINC000079362621 217215688 /nfs/dbraw/zinc/21/56/88/217215688.db2.gz FUGRAHKVLWAIHX-ZDUSSCGKSA-N 1 2 339.342 2.059 40 0 EEABLO CN(C[C@H](O)C1CC1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000095411264 218348303 /nfs/dbraw/zinc/34/83/03/218348303.db2.gz HFCYLIGWURHLLL-KRWDZBQOSA-N 1 2 346.475 2.374 40 0 EEABLO O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828491 462640618 /nfs/dbraw/zinc/64/06/18/462640618.db2.gz SEQYZWIUDPVCKF-UHFFFAOYSA-N 1 2 331.441 2.467 40 0 EEABLO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(Br)c1O ZINC000008091781 462765559 /nfs/dbraw/zinc/76/55/59/462765559.db2.gz YJBYRQMPPAYRJT-UHFFFAOYSA-N 1 2 345.262 2.086 40 0 EEABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccncc1 ZINC000096041898 463146158 /nfs/dbraw/zinc/14/61/58/463146158.db2.gz QEXRUZULIFTJQF-GVDBMIGSSA-N 1 2 329.375 2.427 40 0 EEABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccncc1 ZINC000096041898 463146161 /nfs/dbraw/zinc/14/61/61/463146161.db2.gz QEXRUZULIFTJQF-GVDBMIGSSA-N 1 2 329.375 2.427 40 0 EEABLO O=C(N1CCCC1)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096044173 463149398 /nfs/dbraw/zinc/14/93/98/463149398.db2.gz NXWPLVJOKOHZOU-OAHLLOKOSA-N 1 2 341.415 2.005 40 0 EEABLO CCOC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000096066810 463164994 /nfs/dbraw/zinc/16/49/94/463164994.db2.gz TWUJBFZQSHXFBJ-HNNXBMFYSA-N 1 2 329.400 2.280 40 0 EEABLO CCOC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000096066810 463164996 /nfs/dbraw/zinc/16/49/96/463164996.db2.gz TWUJBFZQSHXFBJ-HNNXBMFYSA-N 1 2 329.400 2.280 40 0 EEABLO O=C(c1ccoc1)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158798 463188642 /nfs/dbraw/zinc/18/86/42/463188642.db2.gz WOPYUSRECBAWJW-UHFFFAOYSA-N 1 2 341.411 2.182 40 0 EEABLO O=C(c1ccoc1)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158798 463188646 /nfs/dbraw/zinc/18/86/46/463188646.db2.gz WOPYUSRECBAWJW-UHFFFAOYSA-N 1 2 341.411 2.182 40 0 EEABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000096206540 463208541 /nfs/dbraw/zinc/20/85/41/463208541.db2.gz MNNKWUOTBWLVNC-LBPRGKRZSA-N 1 2 330.388 2.057 40 0 EEABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(C(=O)C1CC1)CC2 ZINC000096254269 463228916 /nfs/dbraw/zinc/22/89/16/463228916.db2.gz PFDNQXOZAWYXEC-UHFFFAOYSA-N 1 2 329.448 2.192 40 0 EEABLO C[C@@H]1COCCN1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000096459720 463276795 /nfs/dbraw/zinc/27/67/95/463276795.db2.gz YUBCLIKLUXWGPU-MRXNPFEDSA-N 1 2 342.443 2.446 40 0 EEABLO COc1cc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)ccn1 ZINC000096490477 463286846 /nfs/dbraw/zinc/28/68/46/463286846.db2.gz XBQNXYVEMDEHSH-UHFFFAOYSA-N 1 2 337.427 2.284 40 0 EEABLO CC(C)(C(=O)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000097377997 463356901 /nfs/dbraw/zinc/35/69/01/463356901.db2.gz DIRCRYPMJJADGK-AWEZNQCLSA-N 1 2 344.377 2.032 40 0 EEABLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ncccc2F)CC1 ZINC000084486261 463606333 /nfs/dbraw/zinc/60/63/33/463606333.db2.gz XLCQXLSCOKVHFI-OAHLLOKOSA-N 1 2 334.439 2.134 40 0 EEABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCN(c2ccccn2)CC1 ZINC000044849118 463695394 /nfs/dbraw/zinc/69/53/94/463695394.db2.gz AQXZIGXKPDJIAS-UHFFFAOYSA-N 1 2 347.422 2.289 40 0 EEABLO Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000044892989 463699114 /nfs/dbraw/zinc/69/91/14/463699114.db2.gz NUYHIUXIJRDOMW-GOSISDBHSA-N 1 2 337.427 2.219 40 0 EEABLO O=C(CC[NH2+][C@H](c1ccc(F)cc1)c1ncccn1)N1CCCC1 ZINC000195560583 464076400 /nfs/dbraw/zinc/07/64/00/464076400.db2.gz XPHDVAUZGYWEMH-QGZVFWFLSA-N 1 2 328.391 2.307 40 0 EEABLO S=C(NCCCn1cc[nH+]c1)Nc1ccc(Br)cn1 ZINC000225194685 464154748 /nfs/dbraw/zinc/15/47/48/464154748.db2.gz CMBMRKMKCYOBKP-UHFFFAOYSA-N 1 2 340.250 2.417 40 0 EEABLO CCCCNc1cc(N2CCC[C@H](c3nc(C)no3)C2)nc(N)[nH+]1 ZINC000225538804 464171030 /nfs/dbraw/zinc/17/10/30/464171030.db2.gz AAUPRBJIGQUELG-LBPRGKRZSA-N 1 2 331.424 2.346 40 0 EEABLO CCCCNc1cc(N2CCC[C@H](c3nc(C)no3)C2)[nH+]c(N)n1 ZINC000225538804 464171035 /nfs/dbraw/zinc/17/10/35/464171035.db2.gz AAUPRBJIGQUELG-LBPRGKRZSA-N 1 2 331.424 2.346 40 0 EEABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CCN(CC(F)F)CC1 ZINC000225559261 464171969 /nfs/dbraw/zinc/17/19/69/464171969.db2.gz DXONGLNSBOETMM-UHFFFAOYSA-N 1 2 348.397 2.466 40 0 EEABLO COc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)c1 ZINC000247878526 464712516 /nfs/dbraw/zinc/71/25/16/464712516.db2.gz IELWUBAULNVGKX-KRWDZBQOSA-N 1 2 341.411 2.298 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CS3)n(C)n1 ZINC000248075623 464727638 /nfs/dbraw/zinc/72/76/38/464727638.db2.gz YVCGCQYCMPGMPG-OAHLLOKOSA-N 1 2 330.457 2.262 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]32)o1 ZINC000248100210 464728765 /nfs/dbraw/zinc/72/87/65/464728765.db2.gz NUEJYBTUKRXYIW-SJLPKXTDSA-N 1 2 346.452 2.234 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]32)o1 ZINC000248100210 464728770 /nfs/dbraw/zinc/72/87/70/464728770.db2.gz NUEJYBTUKRXYIW-SJLPKXTDSA-N 1 2 346.452 2.234 40 0 EEABLO Cc1nc(N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c2c([nH+]1)CCCC2 ZINC000253425694 465010607 /nfs/dbraw/zinc/01/06/07/465010607.db2.gz BOWGPBZPOLJZER-RHSMWYFYSA-N 1 2 341.459 2.347 40 0 EEABLO CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@]12CCN(C(=O)NC1CC1)C2 ZINC000306143625 466493580 /nfs/dbraw/zinc/49/35/80/466493580.db2.gz YHAHWYYQMUUPTO-PKOBYXMFSA-N 1 2 329.444 2.396 40 0 EEABLO CC[N@H+]1C[C@@H](c2ccccc2)OC[C@]12CCN(C(=O)NC1CC1)C2 ZINC000306143625 466493588 /nfs/dbraw/zinc/49/35/88/466493588.db2.gz YHAHWYYQMUUPTO-PKOBYXMFSA-N 1 2 329.444 2.396 40 0 EEABLO c1coc(C[N@H+]2Cc3ccnn3CC[C@@H]2COc2cnccn2)c1 ZINC000585096743 468964463 /nfs/dbraw/zinc/96/44/63/468964463.db2.gz BTOVBWBVLFXDTD-OAHLLOKOSA-N 1 2 325.372 2.120 40 0 EEABLO c1coc(C[N@@H+]2Cc3ccnn3CC[C@@H]2COc2cnccn2)c1 ZINC000585096743 468964468 /nfs/dbraw/zinc/96/44/68/468964468.db2.gz BTOVBWBVLFXDTD-OAHLLOKOSA-N 1 2 325.372 2.120 40 0 EEABLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cscc2Br)CCO1 ZINC000931626575 1207428177 /nfs/dbraw/zinc/42/81/77/1207428177.db2.gz DJQPHMMIQIKEAE-SECBINFHSA-N 1 2 348.266 2.353 40 0 EEABLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cscc2Br)CCO1 ZINC000931626575 1207428179 /nfs/dbraw/zinc/42/81/79/1207428179.db2.gz DJQPHMMIQIKEAE-SECBINFHSA-N 1 2 348.266 2.353 40 0 EEABLO COCC(=O)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2C(C)C)n1 ZINC000072378466 216181591 /nfs/dbraw/zinc/18/15/91/216181591.db2.gz XWOXKTUCWOADIY-AWEZNQCLSA-N 1 2 329.404 2.096 40 0 EEABLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CSCc1c(C)noc1C)C2 ZINC000253392278 243887582 /nfs/dbraw/zinc/88/75/82/243887582.db2.gz LEMZRMJAFHWSAM-CYBMUJFWSA-N 1 2 334.445 2.161 40 0 EEABLO CNc1cc([C@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)cc[nH+]1 ZINC000257260590 244347417 /nfs/dbraw/zinc/34/74/17/244347417.db2.gz LDMVVQDSYMLZBO-HNNXBMFYSA-N 1 2 327.432 2.412 40 0 EEABLO CCn1cc(C[NH+]2CCN(C(=O)C3[C@@H]4CCCC[C@H]34)CC2)c(C)n1 ZINC000019524564 212037990 /nfs/dbraw/zinc/03/79/90/212037990.db2.gz GRUYFDNHGQDMER-JWTNVVGKSA-N 1 2 330.476 2.292 40 0 EEABLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3cccc(F)c3)CC2)nn1C ZINC000019119114 212001043 /nfs/dbraw/zinc/00/10/43/212001043.db2.gz QKHANJQEMOHPQU-UHFFFAOYSA-N 1 2 346.406 2.350 40 0 EEABLO CCOc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000078556733 217076829 /nfs/dbraw/zinc/07/68/29/217076829.db2.gz JRDLFMOTYLROPO-UHFFFAOYSA-N 1 2 344.396 2.467 40 0 EEABLO O=c1[nH]nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000092616905 218155115 /nfs/dbraw/zinc/15/51/15/218155115.db2.gz NUQVSFKQUWZNLX-UHFFFAOYSA-N 1 2 349.438 2.005 40 0 EEABLO C[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096462588 218844777 /nfs/dbraw/zinc/84/47/77/218844777.db2.gz JPELHHKBEVUSGR-YOEHRIQHSA-N 1 2 349.456 2.422 40 0 EEABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@@H+]2Cc2cccnc2)cc1 ZINC000257213090 286363556 /nfs/dbraw/zinc/36/35/56/286363556.db2.gz CGDLHQJJYMICPZ-IBGZPJMESA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@H+]2Cc2cccnc2)cc1 ZINC000257213090 286363557 /nfs/dbraw/zinc/36/35/57/286363557.db2.gz CGDLHQJJYMICPZ-IBGZPJMESA-N 1 2 325.412 2.496 40 0 EEABLO O=S(=O)(c1ccco1)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000188727824 464353189 /nfs/dbraw/zinc/35/31/89/464353189.db2.gz KJOHHHZDCHRRNE-AWEZNQCLSA-N 1 2 329.381 2.469 40 0 EEABLO O=C(CCn1cc[nH+]c1)NCc1nnc(-c2nccc3ccccc32)o1 ZINC000019376542 463017939 /nfs/dbraw/zinc/01/79/39/463017939.db2.gz FNXVJHFKBLRDNG-UHFFFAOYSA-N 1 2 348.366 2.188 40 0 EEABLO O=C1[C@@H]2C[C@@H](CN2Cc2[nH]cc[nH+]2)Oc2ccccc2N1CC1CC1 ZINC000096111817 463180160 /nfs/dbraw/zinc/18/01/60/463180160.db2.gz VPXLRDWTQAPCIV-HOCLYGCPSA-N 1 2 338.411 2.188 40 0 biogenic,in-vitro EEABLO O=C(c1ccco1)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158797 463189556 /nfs/dbraw/zinc/18/95/56/463189556.db2.gz BMPFXBSUJPSQTP-UHFFFAOYSA-N 1 2 341.411 2.182 40 0 EEABLO O=C(c1ccco1)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158797 463189562 /nfs/dbraw/zinc/18/95/62/463189562.db2.gz BMPFXBSUJPSQTP-UHFFFAOYSA-N 1 2 341.411 2.182 40 0 EEABLO O=C(c1ccco1)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202253 463207148 /nfs/dbraw/zinc/20/71/48/463207148.db2.gz YFYMEIXQHHZQNL-GOSISDBHSA-N 1 2 327.384 2.044 40 0 EEABLO O=C(c1cc[nH]n1)N1CCC(F)(F)[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239624 463224465 /nfs/dbraw/zinc/22/44/65/463224465.db2.gz OXEAGEKKKQEGOQ-MRXNPFEDSA-N 1 2 347.369 2.183 40 0 EEABLO O=C(c1ccn[nH]1)N1CCC(F)(F)[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239624 463224467 /nfs/dbraw/zinc/22/44/67/463224467.db2.gz OXEAGEKKKQEGOQ-MRXNPFEDSA-N 1 2 347.369 2.183 40 0 EEABLO CC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@@H](C)O1 ZINC000096405587 463239029 /nfs/dbraw/zinc/23/90/29/463239029.db2.gz IWVOTPQMZAMZIG-MNOVXSKESA-N 1 2 334.342 2.154 40 0 EEABLO COC(=O)Cn1ncc2c1nc[nH+]c2N(C)C[C@H](C)c1ccccc1 ZINC000096408663 463241501 /nfs/dbraw/zinc/24/15/01/463241501.db2.gz SLPMZXNWYKIZBK-ZDUSSCGKSA-N 1 2 339.399 2.239 40 0 EEABLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)N[C@H]1COc2ccccc2C1 ZINC000096495959 463288663 /nfs/dbraw/zinc/28/86/63/463288663.db2.gz HPXQVQWXXLPHFX-CQSZACIVSA-N 1 2 342.361 2.381 40 0 EEABLO C[C@@H](CNC(=O)CCc1ccc(O)c(Cl)c1)[N@@H+]1CCOC[C@H]1C ZINC000097236988 463352030 /nfs/dbraw/zinc/35/20/30/463352030.db2.gz VIAOUGNOWVTHMG-QWHCGFSZSA-N 1 2 340.851 2.204 40 0 EEABLO C[C@@H](CNC(=O)CCc1ccc(O)c(Cl)c1)[N@H+]1CCOC[C@H]1C ZINC000097236988 463352033 /nfs/dbraw/zinc/35/20/33/463352033.db2.gz VIAOUGNOWVTHMG-QWHCGFSZSA-N 1 2 340.851 2.204 40 0 EEABLO CSCc1cccc(S(=O)(=O)NCCCn2cc[nH+]c2)c1 ZINC000071195379 463411642 /nfs/dbraw/zinc/41/16/42/463411642.db2.gz KARLNUFKMLBISV-UHFFFAOYSA-N 1 2 325.459 2.115 40 0 EEABLO CC(=O)N1CCN(c2cc(C)c([C@@H](O)c3ccccc3)c[nH+]2)CC1 ZINC000072223736 463484050 /nfs/dbraw/zinc/48/40/50/463484050.db2.gz DUUSQWZFBJVSRA-IBGZPJMESA-N 1 2 325.412 2.140 40 0 EEABLO CN(C(=O)OC(C)(C)C)C1CCC2(Cc3c([nH+]c(N)nc3N)O2)CC1 ZINC000257263648 463757968 /nfs/dbraw/zinc/75/79/68/463757968.db2.gz LQVYXJNIIQEMEL-UHFFFAOYSA-N 1 2 349.435 2.124 40 0 EEABLO CN(C(=O)OC(C)(C)C)C1CCC2(Cc3c(nc(N)[nH+]c3N)O2)CC1 ZINC000257263648 463757974 /nfs/dbraw/zinc/75/79/74/463757974.db2.gz LQVYXJNIIQEMEL-UHFFFAOYSA-N 1 2 349.435 2.124 40 0 EEABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)Nc3nccs3)C2)nc[nH+]1 ZINC000257306388 463770319 /nfs/dbraw/zinc/77/03/19/463770319.db2.gz SUCQDUKGVGPSKD-MRXNPFEDSA-N 1 2 346.460 2.244 40 0 EEABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)Nc3nccs3)C2)[nH+]cn1 ZINC000257306388 463770322 /nfs/dbraw/zinc/77/03/22/463770322.db2.gz SUCQDUKGVGPSKD-MRXNPFEDSA-N 1 2 346.460 2.244 40 0 EEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)C2(c3ccccc3F)CC2)[nH+]1 ZINC000257337349 463784020 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342.399 2.097 40 0 EEABLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(OC)nn2)cc1 ZINC000330033211 258002524 /nfs/dbraw/zinc/00/25/24/258002524.db2.gz XIGNMBRZKKPPSU-MRXNPFEDSA-N 1 2 342.399 2.097 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)c2c(C)noc2C)CC[N@@H+]1C ZINC000257280392 295391903 /nfs/dbraw/zinc/39/19/03/295391903.db2.gz OKQUEAVLVZRKSR-HNNXBMFYSA-N 1 2 329.400 2.429 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)c2c(C)noc2C)CC[N@H+]1C ZINC000257280392 295391906 /nfs/dbraw/zinc/39/19/06/295391906.db2.gz OKQUEAVLVZRKSR-HNNXBMFYSA-N 1 2 329.400 2.429 40 0 EEABLO Cn1c(=O)[nH]c2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc21 ZINC000328660379 465092683 /nfs/dbraw/zinc/09/26/83/465092683.db2.gz VGVIHIFNWFUHLG-UHFFFAOYSA-N 1 2 325.372 2.022 40 0 EEABLO Cn1c(=O)[nH]c2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc21 ZINC000328660379 465092689 /nfs/dbraw/zinc/09/26/89/465092689.db2.gz VGVIHIFNWFUHLG-UHFFFAOYSA-N 1 2 325.372 2.022 40 0 EEABLO O=C(NCc1[nH+]ccn1Cc1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000074818070 462638122 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EEABLO Cc1cccc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)n1 ZINC000096074838 463166952 /nfs/dbraw/zinc/16/69/52/463166952.db2.gz LXBXHIPVZTZKFB-IBGZPJMESA-N 1 2 339.443 2.051 40 0 EEABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)c4ccoc4)C[C@@H]3C2)cs1 ZINC000096108142 463174870 /nfs/dbraw/zinc/17/48/70/463174870.db2.gz HHQKYBLRCNEJCJ-GOEBONIOSA-N 1 2 347.440 2.018 40 0 EEABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)c4ccoc4)C[C@@H]3C2)cs1 ZINC000096108142 463174876 /nfs/dbraw/zinc/17/48/76/463174876.db2.gz HHQKYBLRCNEJCJ-GOEBONIOSA-N 1 2 347.440 2.018 40 0 EEABLO C[N@H+](Cc1cccnc1)[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096186001 463197059 /nfs/dbraw/zinc/19/70/59/463197059.db2.gz MYBJSXQIPZENDI-AQNXPRMDSA-N 1 2 338.455 2.340 40 0 EEABLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096186001 463197065 /nfs/dbraw/zinc/19/70/65/463197065.db2.gz MYBJSXQIPZENDI-AQNXPRMDSA-N 1 2 338.455 2.340 40 0 EEABLO Cc1cc(CN2Cc3c[nH+]cn3C[C@@H](COc3ccccn3)C2)no1 ZINC000096209185 463211885 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Cc1csc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)c1 ZINC000257300438 463768655 /nfs/dbraw/zinc/76/86/55/463768655.db2.gz RUGLMQGTXYGJLX-QGZVFWFLSA-N 1 2 331.441 2.165 40 0 EEABLO Cn1c(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)nc2cc(Cl)ccc21 ZINC000283658770 463962903 /nfs/dbraw/zinc/96/29/03/463962903.db2.gz BRLYCRFMOVODRM-SNVBAGLBSA-N 1 2 347.806 2.283 40 0 EEABLO Cn1c(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)nc2cc(Cl)ccc21 ZINC000283658770 463962911 /nfs/dbraw/zinc/96/29/11/463962911.db2.gz BRLYCRFMOVODRM-SNVBAGLBSA-N 1 2 347.806 2.283 40 0 EEABLO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)cn1 ZINC000225520639 464168383 /nfs/dbraw/zinc/16/83/83/464168383.db2.gz WQWDEGRCNYYUIQ-OAHLLOKOSA-N 1 2 341.459 2.381 40 0 EEABLO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)cn1 ZINC000225520639 464168389 /nfs/dbraw/zinc/16/83/89/464168389.db2.gz WQWDEGRCNYYUIQ-OAHLLOKOSA-N 1 2 341.459 2.381 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccco1)c1ccco1 ZINC000247490638 464684602 /nfs/dbraw/zinc/68/46/02/464684602.db2.gz MISXUPRCZWPXAB-LXZKKBNFSA-N 1 2 330.384 2.282 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccco1)c1ccco1 ZINC000247490638 464684607 /nfs/dbraw/zinc/68/46/07/464684607.db2.gz MISXUPRCZWPXAB-LXZKKBNFSA-N 1 2 330.384 2.282 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1)c1ccco1 ZINC000247505949 464687365 /nfs/dbraw/zinc/68/73/65/464687365.db2.gz RNANTIGPSUUVHE-BQFCYCMXSA-N 1 2 341.411 2.084 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1)c1ccco1 ZINC000247505949 464687374 /nfs/dbraw/zinc/68/73/74/464687374.db2.gz RNANTIGPSUUVHE-BQFCYCMXSA-N 1 2 341.411 2.084 40 0 EEABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Cc2cc[nH]n2)[C@H](C)C1 ZINC000252497395 464969836 /nfs/dbraw/zinc/96/98/36/464969836.db2.gz QFUUAAFZAKUCLX-OAHLLOKOSA-N 1 2 342.443 2.084 40 0 EEABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Cc2cc[nH]n2)[C@H](C)C1 ZINC000252497395 464969839 /nfs/dbraw/zinc/96/98/39/464969839.db2.gz QFUUAAFZAKUCLX-OAHLLOKOSA-N 1 2 342.443 2.084 40 0 EEABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Cc2ccn[nH]2)[C@H](C)C1 ZINC000252497395 464969841 /nfs/dbraw/zinc/96/98/41/464969841.db2.gz QFUUAAFZAKUCLX-OAHLLOKOSA-N 1 2 342.443 2.084 40 0 EEABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Cc2ccn[nH]2)[C@H](C)C1 ZINC000252497395 464969845 /nfs/dbraw/zinc/96/98/45/464969845.db2.gz QFUUAAFZAKUCLX-OAHLLOKOSA-N 1 2 342.443 2.084 40 0 EEABLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)C[C@H]21 ZINC000253420864 465008531 /nfs/dbraw/zinc/00/85/31/465008531.db2.gz DNCBKYSIQCQTJZ-MCIONIFRSA-N 1 2 349.397 2.222 40 0 EEABLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)C[C@H]21 ZINC000253420864 465008535 /nfs/dbraw/zinc/00/85/35/465008535.db2.gz DNCBKYSIQCQTJZ-MCIONIFRSA-N 1 2 349.397 2.222 40 0 EEABLO O=S1(=O)CC[C@@H]([N@H+](CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419513 468144014 /nfs/dbraw/zinc/14/40/14/468144014.db2.gz AHGXAWXNMGNHEO-GOSISDBHSA-N 1 2 345.464 2.257 40 0 EEABLO O=S1(=O)CC[C@@H]([N@@H+](CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419513 468144016 /nfs/dbraw/zinc/14/40/16/468144016.db2.gz AHGXAWXNMGNHEO-GOSISDBHSA-N 1 2 345.464 2.257 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585272795 468999092 /nfs/dbraw/zinc/99/90/92/468999092.db2.gz QWMDZHVIFSQQBX-ROUUACIJSA-N 1 2 327.428 2.258 40 0 EEABLO CCCn1cc(C[N@@H+]2CCO[C@@](CO)(Cc3ccccc3F)C2)cn1 ZINC000585277560 469002329 /nfs/dbraw/zinc/00/23/29/469002329.db2.gz NCAANTSEFQGHES-IBGZPJMESA-N 1 2 347.434 2.238 40 0 EEABLO CCCn1cc(C[N@H+]2CCO[C@@](CO)(Cc3ccccc3F)C2)cn1 ZINC000585277560 469002331 /nfs/dbraw/zinc/00/23/31/469002331.db2.gz NCAANTSEFQGHES-IBGZPJMESA-N 1 2 347.434 2.238 40 0 EEABLO COc1cccc(S(=O)(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000257202039 537136225 /nfs/dbraw/zinc/13/62/25/537136225.db2.gz AKFFXIUWBGKXAA-AWEZNQCLSA-N 1 2 347.440 2.038 40 0 EEABLO c1cnc2cc(-c3ccncc3)nc(NCC[NH+]3CCOCC3)c2c1 ZINC000019345355 202005017 /nfs/dbraw/zinc/00/50/17/202005017.db2.gz CZBXGITUQNHBOY-UHFFFAOYSA-N 1 2 335.411 2.436 40 0 EEABLO COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000067898803 202048936 /nfs/dbraw/zinc/04/89/36/202048936.db2.gz XBKVEWLDTAADJH-INIZCTEOSA-N 1 2 339.399 2.382 40 0 biogenic,in-vitro EEABLO O=C(NCc1ccc(Cl)cc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000187656204 236270063 /nfs/dbraw/zinc/27/00/63/236270063.db2.gz YGSXBKNYOFIPHE-AWEZNQCLSA-N 1 2 341.814 2.095 40 0 EEABLO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2nncs2)c1 ZINC000072665414 202364731 /nfs/dbraw/zinc/36/47/31/202364731.db2.gz LQZFEMYGPPRWGF-CQSZACIVSA-N 1 2 331.445 2.380 40 0 EEABLO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2nncs2)c1 ZINC000072665414 202364734 /nfs/dbraw/zinc/36/47/34/202364734.db2.gz LQZFEMYGPPRWGF-CQSZACIVSA-N 1 2 331.445 2.380 40 0 EEABLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CC[N@@H+]2C(C)(C)C1 ZINC000253398240 201186487 /nfs/dbraw/zinc/18/64/87/201186487.db2.gz GTABZUAWULXXNB-INIZCTEOSA-N 1 2 349.862 2.107 40 0 biogenic,in-vitro EEABLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CC[N@H+]2C(C)(C)C1 ZINC000253398240 201186490 /nfs/dbraw/zinc/18/64/90/201186490.db2.gz GTABZUAWULXXNB-INIZCTEOSA-N 1 2 349.862 2.107 40 0 biogenic,in-vitro EEABLO CCCc1[nH][nH]c(=O)c1[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000019690969 284099895 /nfs/dbraw/zinc/09/98/95/284099895.db2.gz FNZWLBMEHLMPNB-HNNXBMFYSA-N 1 2 345.399 2.382 40 0 EEABLO CCCc1[nH][nH]c(=O)c1[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000019690969 284099897 /nfs/dbraw/zinc/09/98/97/284099897.db2.gz FNZWLBMEHLMPNB-HNNXBMFYSA-N 1 2 345.399 2.382 40 0 EEABLO CN(C)c1nccnc1[C@@H]1C[N@H+](CCc2ccc(F)cc2)CCO1 ZINC000257223980 244193654 /nfs/dbraw/zinc/19/36/54/244193654.db2.gz DZTKYHKPDONIMW-INIZCTEOSA-N 1 2 330.407 2.298 40 0 EEABLO CN(C)c1nccnc1[C@@H]1C[N@@H+](CCc2ccc(F)cc2)CCO1 ZINC000257223980 244193663 /nfs/dbraw/zinc/19/36/63/244193663.db2.gz DZTKYHKPDONIMW-INIZCTEOSA-N 1 2 330.407 2.298 40 0 EEABLO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCC[N@@H+]3CCO)n2)n1 ZINC000072382369 203211240 /nfs/dbraw/zinc/21/12/40/203211240.db2.gz KOVSMKFLWIUPJU-AWEZNQCLSA-N 1 2 328.420 2.065 40 0 EEABLO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCC[N@H+]3CCO)n2)n1 ZINC000072382369 203211241 /nfs/dbraw/zinc/21/12/41/203211241.db2.gz KOVSMKFLWIUPJU-AWEZNQCLSA-N 1 2 328.420 2.065 40 0 EEABLO Cc1ncsc1C[N@@H+]1CCO[C@H](c2cc(N(C)C)nc(C)n2)C1 ZINC000072387835 203212039 /nfs/dbraw/zinc/21/20/39/203212039.db2.gz DCRRXFKXDATSQP-AWEZNQCLSA-N 1 2 333.461 2.189 40 0 EEABLO Cc1ncsc1C[N@H+]1CCO[C@H](c2cc(N(C)C)nc(C)n2)C1 ZINC000072387835 203212040 /nfs/dbraw/zinc/21/20/40/203212040.db2.gz DCRRXFKXDATSQP-AWEZNQCLSA-N 1 2 333.461 2.189 40 0 EEABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccc(F)cc1 ZINC000072342253 203203936 /nfs/dbraw/zinc/20/39/36/203203936.db2.gz RZRAMGSFKWFIOT-UHFFFAOYSA-N 1 2 329.375 2.143 40 0 EEABLO Cc1ccc(Oc2nccnc2[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000072361850 203206102 /nfs/dbraw/zinc/20/61/02/203206102.db2.gz ADHSAIYSUYFZFQ-CQSZACIVSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1ccc(Oc2nccnc2[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000072361850 203206106 /nfs/dbraw/zinc/20/61/06/203206106.db2.gz ADHSAIYSUYFZFQ-CQSZACIVSA-N 1 2 326.400 2.242 40 0 EEABLO O=C(COc1ccccc1F)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130023797 205220687 /nfs/dbraw/zinc/22/06/87/205220687.db2.gz XOPQHOYHYSEDJV-CQSZACIVSA-N 1 2 329.375 2.385 40 0 EEABLO CC[C@H](O)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449950 218393960 /nfs/dbraw/zinc/39/39/60/218393960.db2.gz OGOTZCSWJSVETQ-APHBMKBZSA-N 1 2 341.402 2.170 40 0 EEABLO CC[C@H](O)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449950 218393965 /nfs/dbraw/zinc/39/39/65/218393965.db2.gz OGOTZCSWJSVETQ-APHBMKBZSA-N 1 2 341.402 2.170 40 0 EEABLO CC(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000056945896 132198371 /nfs/dbraw/zinc/19/83/71/132198371.db2.gz MJWWBWSPPBJCIH-KRWDZBQOSA-N 1 2 331.391 2.418 40 0 EEABLO COc1cccc(N2CC[NH+](CC(=O)NCc3cccs3)CC2)c1 ZINC000059727190 132804627 /nfs/dbraw/zinc/80/46/27/132804627.db2.gz JBBUTFIOWUCHJG-UHFFFAOYSA-N 1 2 345.468 2.195 40 0 EEABLO Cc1ccc(C[N@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)o1 ZINC000012184723 462846970 /nfs/dbraw/zinc/84/69/70/462846970.db2.gz VSHYAPIAIWWUAM-CYBMUJFWSA-N 1 2 342.443 2.466 40 0 EEABLO Cc1ccc(C[N@@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)o1 ZINC000012184723 462846975 /nfs/dbraw/zinc/84/69/75/462846975.db2.gz VSHYAPIAIWWUAM-CYBMUJFWSA-N 1 2 342.443 2.466 40 0 EEABLO c1csc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096042458 463147590 /nfs/dbraw/zinc/14/75/90/463147590.db2.gz VRVWPAYABHZUPK-INMHGKMJSA-N 1 2 331.441 2.487 40 0 EEABLO c1csc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096042458 463147593 /nfs/dbraw/zinc/14/75/93/463147593.db2.gz VRVWPAYABHZUPK-INMHGKMJSA-N 1 2 331.441 2.487 40 0 EEABLO CCOC[C@@H]1CN(C(=O)COc2ccc(C)cc2)Cc2[nH+]cn(C)c21 ZINC000096068631 463165842 /nfs/dbraw/zinc/16/58/42/463165842.db2.gz MBAFHPWJFKTIFD-HNNXBMFYSA-N 1 2 343.427 2.270 40 0 EEABLO Cc1nc(C[N@@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)cs1 ZINC000096207011 463210325 /nfs/dbraw/zinc/21/03/25/463210325.db2.gz GRGUMEWRDPRCPQ-NVXWUHKLSA-N 1 2 335.473 2.197 40 0 EEABLO Cc1nc(C[N@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)cs1 ZINC000096207011 463210330 /nfs/dbraw/zinc/21/03/30/463210330.db2.gz GRGUMEWRDPRCPQ-NVXWUHKLSA-N 1 2 335.473 2.197 40 0 EEABLO CC(C)n1cc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000096428058 463258255 /nfs/dbraw/zinc/25/82/55/463258255.db2.gz RQJKBLUWLUYFEG-UHFFFAOYSA-N 1 2 345.428 2.128 40 0 EEABLO O=C(Cc1ccn(-c2ccc(F)cc2)n1)NCCNc1cccc[nH+]1 ZINC000096435991 463263394 /nfs/dbraw/zinc/26/33/94/463263394.db2.gz FOLAZROLLVDGKO-UHFFFAOYSA-N 1 2 339.374 2.177 40 0 EEABLO O=C(NCCc1ccccc1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159061637 463267156 /nfs/dbraw/zinc/26/71/56/463267156.db2.gz AFMQZWUQNQBETB-UHFFFAOYSA-N 1 2 342.418 2.291 40 0 EEABLO COCc1noc(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)cn3)C2)n1 ZINC000096495619 463289205 /nfs/dbraw/zinc/28/92/05/463289205.db2.gz RGPDHXRGDNIYMG-GFCCVEGCSA-N 1 2 338.795 2.308 40 0 EEABLO COCc1noc(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)cn3)C2)n1 ZINC000096495619 463289210 /nfs/dbraw/zinc/28/92/10/463289210.db2.gz RGPDHXRGDNIYMG-GFCCVEGCSA-N 1 2 338.795 2.308 40 0 EEABLO Cc1nc(N2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)cc[nH+]1 ZINC000097376475 463356794 /nfs/dbraw/zinc/35/67/94/463356794.db2.gz QPVPICDSHMMKIR-SJORKVTESA-N 1 2 337.427 2.173 40 0 EEABLO CC1(C)C[NH+]=C(N2CCN(Cc3nc(-c4ccoc4)no3)CC2)S1 ZINC000081016831 463382534 /nfs/dbraw/zinc/38/25/34/463382534.db2.gz DAXANGSNXCHVTH-UHFFFAOYSA-N 1 2 347.444 2.329 40 0 EEABLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000032611055 463382877 /nfs/dbraw/zinc/38/28/77/463382877.db2.gz KUYIPKFPRXDJSC-UHFFFAOYSA-N 1 2 348.397 2.273 40 0 EEABLO Cc1nc2c(ncnc2N2CC[NH+](Cc3ccc(F)cc3)CC2)[nH]1 ZINC000041120956 463468074 /nfs/dbraw/zinc/46/80/74/463468074.db2.gz CWEJEFXZZICQRD-UHFFFAOYSA-N 1 2 326.379 2.123 40 0 EEABLO C[C@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@H](C)O1 ZINC000083669020 463553220 /nfs/dbraw/zinc/55/32/20/463553220.db2.gz PSWJOYMCCDLMRG-HOTGVXAUSA-N 1 2 342.443 2.445 40 0 EEABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3cccc(=O)[nH]3)C2)cc[nH+]1 ZINC000257280631 463760101 /nfs/dbraw/zinc/76/01/01/463760101.db2.gz OLQPYFWVLUYTMQ-AWEZNQCLSA-N 1 2 326.400 2.268 40 0 EEABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ccncn2)cc1 ZINC000257322486 463778259 /nfs/dbraw/zinc/77/82/59/463778259.db2.gz WGDRVLFDKWTDDS-MRXNPFEDSA-N 1 2 335.367 2.079 40 0 EEABLO CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccncc1 ZINC000188190232 464219350 /nfs/dbraw/zinc/21/93/50/464219350.db2.gz OYBHYIJHHZWHJG-CYBMUJFWSA-N 1 2 333.461 2.173 40 0 EEABLO CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccncc1 ZINC000188190232 464219356 /nfs/dbraw/zinc/21/93/56/464219356.db2.gz OYBHYIJHHZWHJG-CYBMUJFWSA-N 1 2 333.461 2.173 40 0 EEABLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(F)ccc2C)nc[nH+]1 ZINC000173430769 464259901 /nfs/dbraw/zinc/25/99/01/464259901.db2.gz RIBRISHHHANHSG-CQSZACIVSA-N 1 2 343.406 2.365 40 0 EEABLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(F)ccc2C)[nH+]cn1 ZINC000173430769 464259905 /nfs/dbraw/zinc/25/99/05/464259905.db2.gz RIBRISHHHANHSG-CQSZACIVSA-N 1 2 343.406 2.365 40 0 EEABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nnc(-c2cccs2)o1 ZINC000285733453 464675059 /nfs/dbraw/zinc/67/50/59/464675059.db2.gz VIINJLWLFFNUKH-NSHDSACASA-N 1 2 331.401 2.105 40 0 EEABLO c1cncc(COC[C@H]2CCOC23C[NH+](Cc2cccnc2)C3)c1 ZINC000247889656 464714121 /nfs/dbraw/zinc/71/41/21/464714121.db2.gz SRFYAVDQNXZPTB-GOSISDBHSA-N 1 2 325.412 2.284 40 0 EEABLO CCn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3)CCO2)cn1 ZINC000190780638 464719529 /nfs/dbraw/zinc/71/95/29/464719529.db2.gz SDAQJOQJGURPAD-QGZVFWFLSA-N 1 2 328.416 2.305 40 0 EEABLO CCn1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3)CCO2)cn1 ZINC000190780638 464719534 /nfs/dbraw/zinc/71/95/34/464719534.db2.gz SDAQJOQJGURPAD-QGZVFWFLSA-N 1 2 328.416 2.305 40 0 EEABLO c1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccncc2)CCO3)nc1 ZINC000247987085 464721430 /nfs/dbraw/zinc/72/14/30/464721430.db2.gz ZMPZATCQXSMTHO-GOSISDBHSA-N 1 2 325.412 2.427 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]32)o1 ZINC000248100208 464729575 /nfs/dbraw/zinc/72/95/75/464729575.db2.gz NUEJYBTUKRXYIW-FUHWJXTLSA-N 1 2 346.452 2.234 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]32)o1 ZINC000248100208 464729582 /nfs/dbraw/zinc/72/95/82/464729582.db2.gz NUEJYBTUKRXYIW-FUHWJXTLSA-N 1 2 346.452 2.234 40 0 EEABLO CN(C)c1noc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)n1 ZINC000253396451 465000830 /nfs/dbraw/zinc/00/08/30/465000830.db2.gz FFARJPBDNLFYTF-VIFPVBQESA-N 1 2 344.341 2.257 40 0 EEABLO CN(C)c1noc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)n1 ZINC000253396451 465000837 /nfs/dbraw/zinc/00/08/37/465000837.db2.gz FFARJPBDNLFYTF-VIFPVBQESA-N 1 2 344.341 2.257 40 0 EEABLO Cn1cc([C@H]2C[N@H+](Cc3ccccn3)CCN2Cc2ccccn2)cn1 ZINC000253426986 465011288 /nfs/dbraw/zinc/01/12/88/465011288.db2.gz UIUWSTINKBDAIV-HXUWFJFHSA-N 1 2 348.454 2.269 40 0 EEABLO Cn1cc([C@H]2C[N@@H+](Cc3ccccn3)CCN2Cc2ccccn2)cn1 ZINC000253426986 465011292 /nfs/dbraw/zinc/01/12/92/465011292.db2.gz UIUWSTINKBDAIV-HXUWFJFHSA-N 1 2 348.454 2.269 40 0 EEABLO Cc1cc(C(=O)N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)no1 ZINC000253477889 465016299 /nfs/dbraw/zinc/01/62/99/465016299.db2.gz IAQMXXOVLNQJEM-CQSZACIVSA-N 1 2 342.399 2.111 40 0 EEABLO Cn1ccc(C(=O)N2C[C@@H]3c4[nH+]cc(-c5ccsc5)n4C[C@@H]3C2)n1 ZINC000306138276 466493612 /nfs/dbraw/zinc/49/36/12/466493612.db2.gz RTYOXURHBSSCIG-STQMWFEESA-N 1 2 339.424 2.215 40 0 EEABLO CC[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421371 468143929 /nfs/dbraw/zinc/14/39/29/468143929.db2.gz PLAZFOGHFMPBPF-MSOLQXFVSA-N 1 2 345.464 2.256 40 0 EEABLO CC[N@@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421371 468143932 /nfs/dbraw/zinc/14/39/32/468143932.db2.gz PLAZFOGHFMPBPF-MSOLQXFVSA-N 1 2 345.464 2.256 40 0 EEABLO Cc1ccc(OC[C@@H]2CCn3nccc3C[N@@H+]2Cc2cn[nH]c2)cn1 ZINC000585098365 468967490 /nfs/dbraw/zinc/96/74/90/468967490.db2.gz WXQKXCJGDJTYEO-KRWDZBQOSA-N 1 2 338.415 2.163 40 0 EEABLO Cc1ccc(OC[C@@H]2CCn3nccc3C[N@H+]2Cc2cn[nH]c2)cn1 ZINC000585098365 468967497 /nfs/dbraw/zinc/96/74/97/468967497.db2.gz WXQKXCJGDJTYEO-KRWDZBQOSA-N 1 2 338.415 2.163 40 0 EEABLO Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)CCn2cc[nH+]c2)cc1 ZINC000585278505 469003210 /nfs/dbraw/zinc/00/32/10/469003210.db2.gz TVJUEQOZNXMLNL-ROUUACIJSA-N 1 2 327.428 2.176 40 0 EEABLO CN(C)c1cc([C@@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)cc[nH+]1 ZINC000257211577 536145465 /nfs/dbraw/zinc/14/54/65/536145465.db2.gz BZKCQQCIRSMFQN-CQSZACIVSA-N 1 2 347.850 2.404 40 0 EEABLO O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(Cn2cc[nH+]c2)o1 ZINC000019335019 202004371 /nfs/dbraw/zinc/00/43/71/202004371.db2.gz HVCDPVSMWXOZLR-UHFFFAOYSA-N 1 2 348.366 2.417 40 0 EEABLO CC(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000072584919 202365372 /nfs/dbraw/zinc/36/53/72/202365372.db2.gz FJFMSFSKQDQISX-ZDUSSCGKSA-N 1 2 345.896 2.275 40 0 EEABLO CC(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000072584919 202365376 /nfs/dbraw/zinc/36/53/76/202365376.db2.gz FJFMSFSKQDQISX-ZDUSSCGKSA-N 1 2 345.896 2.275 40 0 EEABLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)nc(N2CCCCCC2)n1 ZINC000072241504 202358007 /nfs/dbraw/zinc/35/80/07/202358007.db2.gz NEJMHGXUQMQBOH-UHFFFAOYSA-N 1 2 342.447 2.182 40 0 EEABLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000253430927 243981804 /nfs/dbraw/zinc/98/18/04/243981804.db2.gz OUVDPXSKLJTTDU-GFCCVEGCSA-N 1 2 325.459 2.125 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)c2cnc(C)nc2C)CC[N@@H+]1C ZINC000257204901 244129694 /nfs/dbraw/zinc/12/96/94/244129694.db2.gz AWUMPJQGKAZUOL-KRWDZBQOSA-N 1 2 340.427 2.231 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)c2cnc(C)nc2C)CC[N@H+]1C ZINC000257204901 244129701 /nfs/dbraw/zinc/12/97/01/244129701.db2.gz AWUMPJQGKAZUOL-KRWDZBQOSA-N 1 2 340.427 2.231 40 0 EEABLO C[C@]1(c2ncc(CNC(=O)CCCn3cc[nH+]c3)cn2)CCCCO1 ZINC000257202568 244123574 /nfs/dbraw/zinc/12/35/74/244123574.db2.gz AMKJJWBWWDIGHL-GOSISDBHSA-N 1 2 343.431 2.185 40 0 EEABLO Cc1nc2ccccn2c1CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257214443 244164377 /nfs/dbraw/zinc/16/43/77/244164377.db2.gz CMAGRUUFJAOIPO-INIZCTEOSA-N 1 2 349.438 2.365 40 0 EEABLO O=C(Cn1cnc2ccccc21)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257307749 244481479 /nfs/dbraw/zinc/48/14/79/244481479.db2.gz TTXWGHVDTZLVQT-HNNXBMFYSA-N 1 2 335.411 2.217 40 0 EEABLO O=C(C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCC1 ZINC000046167856 204335706 /nfs/dbraw/zinc/33/57/06/204335706.db2.gz VCRVKHWJRDXEFR-UHFFFAOYSA-N 1 2 339.842 2.219 40 0 EEABLO O=C(NCC1CC1)C1([NH2+]Cc2nc(-c3ccncc3)no2)CCCC1 ZINC000095409824 218346834 /nfs/dbraw/zinc/34/68/34/218346834.db2.gz GLDQQVPIMQQMKG-UHFFFAOYSA-N 1 2 341.415 2.060 40 0 EEABLO CO[C@H](C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000195438253 294298277 /nfs/dbraw/zinc/29/82/77/294298277.db2.gz FPQPNORIBKFNDE-BYCMXARLSA-N 1 2 346.880 2.040 40 0 EEABLO CO[C@H](C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000195438253 294298283 /nfs/dbraw/zinc/29/82/83/294298283.db2.gz FPQPNORIBKFNDE-BYCMXARLSA-N 1 2 346.880 2.040 40 0 EEABLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000333465728 312151692 /nfs/dbraw/zinc/15/16/92/312151692.db2.gz ZVQWFSNFAXVOEQ-IBGZPJMESA-N 1 2 337.379 2.454 40 0 EEABLO Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000004190449 462629490 /nfs/dbraw/zinc/62/94/90/462629490.db2.gz TWSYWSNEZGWCDO-IRXDYDNUSA-N 1 2 327.432 2.346 40 0 EEABLO CC(C)COC[C@@H]1CN(C(=O)c2cscn2)Cc2[nH+]cn(C)c21 ZINC000096044848 463149207 /nfs/dbraw/zinc/14/92/07/463149207.db2.gz ZZKCOROIXNUWSV-LBPRGKRZSA-N 1 2 334.445 2.289 40 0 EEABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2cccs2)CCO3)o1 ZINC000096049187 463152597 /nfs/dbraw/zinc/15/25/97/463152597.db2.gz ZDQUCZMSBIXOFM-INIZCTEOSA-N 1 2 334.445 2.311 40 0 EEABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cccs2)CCO3)o1 ZINC000096049187 463152598 /nfs/dbraw/zinc/15/25/98/463152598.db2.gz ZDQUCZMSBIXOFM-INIZCTEOSA-N 1 2 334.445 2.311 40 0 EEABLO CN(C(=O)C[N@@H+](Cc1cccnc1)C[C@H]1CCCO1)c1nccs1 ZINC000079099747 463188684 /nfs/dbraw/zinc/18/86/84/463188684.db2.gz GEYNEDQYEXXDDH-OAHLLOKOSA-N 1 2 346.456 2.182 40 0 EEABLO CN(C(=O)C[N@H+](Cc1cccnc1)C[C@H]1CCCO1)c1nccs1 ZINC000079099747 463188689 /nfs/dbraw/zinc/18/86/89/463188689.db2.gz GEYNEDQYEXXDDH-OAHLLOKOSA-N 1 2 346.456 2.182 40 0 EEABLO Cc1nc(C[N@@H+]2CCOC3(CCN(c4ncccn4)CC3)C2)cs1 ZINC000096158812 463191092 /nfs/dbraw/zinc/19/10/92/463191092.db2.gz YWIPRELPWJTJPU-UHFFFAOYSA-N 1 2 345.472 2.113 40 0 EEABLO Cc1nc(C[N@H+]2CCOC3(CCN(c4ncccn4)CC3)C2)cs1 ZINC000096158812 463191098 /nfs/dbraw/zinc/19/10/98/463191098.db2.gz YWIPRELPWJTJPU-UHFFFAOYSA-N 1 2 345.472 2.113 40 0 EEABLO O=C1CCCN1C[C@@H]1Cn2cc[nH+]c2CN(Cc2cccc(F)c2)C1 ZINC000096188459 463200155 /nfs/dbraw/zinc/20/01/55/463200155.db2.gz XHSDGRTZBKFSDO-INIZCTEOSA-N 1 2 342.418 2.277 40 0 EEABLO O=C(CCc1ccccc1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188581 463200297 /nfs/dbraw/zinc/20/02/97/463200297.db2.gz 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ZINC000096226680 463221202 /nfs/dbraw/zinc/22/12/02/463221202.db2.gz UKAROBVSYZVWBR-SFHVURJKSA-N 1 2 346.406 2.389 40 0 EEABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccc(F)cc2)CCO3)o1 ZINC000096226680 463221207 /nfs/dbraw/zinc/22/12/07/463221207.db2.gz UKAROBVSYZVWBR-SFHVURJKSA-N 1 2 346.406 2.389 40 0 EEABLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC000039490758 463450310 /nfs/dbraw/zinc/45/03/10/463450310.db2.gz AIQIZAOEWWVZBX-INIZCTEOSA-N 1 2 338.407 2.313 40 0 EEABLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC000039490758 463450317 /nfs/dbraw/zinc/45/03/17/463450317.db2.gz AIQIZAOEWWVZBX-INIZCTEOSA-N 1 2 338.407 2.313 40 0 EEABLO Cc1ccc2c(cnn2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000040758910 463464119 /nfs/dbraw/zinc/46/41/19/463464119.db2.gz BEUHOFRUISHAHD-UHFFFAOYSA-N 1 2 349.438 2.479 40 0 EEABLO Nc1cc(CC[C@@H]2C[N@H+](Cc3ccccc3C(=O)[O-])CCO2)cc[nH+]1 ZINC000257281557 463760077 /nfs/dbraw/zinc/76/00/77/463760077.db2.gz OPUBIHDMFLHEJX-MRXNPFEDSA-N 1 2 341.411 2.196 40 0 EEABLO Nc1cc(CC[C@@H]2C[N@@H+](Cc3ccccc3C(=O)[O-])CCO2)cc[nH+]1 ZINC000257281557 463760081 /nfs/dbraw/zinc/76/00/81/463760081.db2.gz OPUBIHDMFLHEJX-MRXNPFEDSA-N 1 2 341.411 2.196 40 0 EEABLO CCn1cc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3OC)C2)cn1 ZINC000257287533 463762698 /nfs/dbraw/zinc/76/26/98/463762698.db2.gz PQJJHILQKMTCIF-MRXNPFEDSA-N 1 2 328.416 2.041 40 0 EEABLO CCn1cc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3OC)C2)cn1 ZINC000257287533 463762706 /nfs/dbraw/zinc/76/27/06/463762706.db2.gz PQJJHILQKMTCIF-MRXNPFEDSA-N 1 2 328.416 2.041 40 0 EEABLO C[N@H+](CC(=O)N1CCC(Cc2ccncc2)CC1)Cc1cccnc1 ZINC000257340092 463786315 /nfs/dbraw/zinc/78/63/15/463786315.db2.gz ZEMNUNMDPXXTID-UHFFFAOYSA-N 1 2 338.455 2.390 40 0 EEABLO C[N@@H+](CC(=O)N1CCC(Cc2ccncc2)CC1)Cc1cccnc1 ZINC000257340092 463786317 /nfs/dbraw/zinc/78/63/17/463786317.db2.gz ZEMNUNMDPXXTID-UHFFFAOYSA-N 1 2 338.455 2.390 40 0 EEABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccnc1N1CCCC1)C2 ZINC000225520004 464167779 /nfs/dbraw/zinc/16/77/79/464167779.db2.gz WAUMGUUQUVHMKB-CQSZACIVSA-N 1 2 339.443 2.135 40 0 EEABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccnc1N1CCCC1)CC2 ZINC000225520004 464167783 /nfs/dbraw/zinc/16/77/83/464167783.db2.gz WAUMGUUQUVHMKB-CQSZACIVSA-N 1 2 339.443 2.135 40 0 EEABLO O=C1CCCN1c1cccc(NC(=S)NCCCn2cc[nH+]c2)c1 ZINC000225522147 464168933 /nfs/dbraw/zinc/16/89/33/464168933.db2.gz NOCMGPIEIVSFJP-UHFFFAOYSA-N 1 2 343.456 2.387 40 0 EEABLO Cc1cccc(C[NH+]2CC3(C2)CC[C@@H](CN2CCCCC2=O)CO3)n1 ZINC000247874921 464711673 /nfs/dbraw/zinc/71/16/73/464711673.db2.gz NQPGUPNSIPEJAH-KRWDZBQOSA-N 1 2 343.471 2.384 40 0 EEABLO O=C(NCCOc1ccc(Cl)cn1)C1CC[NH+](CC(F)F)CC1 ZINC000252496546 464969714 /nfs/dbraw/zinc/96/97/14/464969714.db2.gz PKYQPIICTSIYIO-UHFFFAOYSA-N 1 2 347.793 2.207 40 0 EEABLO Cc1nc(N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c2c([nH+]1)CCCC2 ZINC000253425690 465010665 /nfs/dbraw/zinc/01/06/65/465010665.db2.gz BOWGPBZPOLJZER-PBHICJAKSA-N 1 2 341.459 2.347 40 0 EEABLO 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CCOc1ccccc1C[N@H+]1CCN(C(=O)Cc2cc[nH]n2)[C@@H](C)C1 ZINC000252497394 464969150 /nfs/dbraw/zinc/96/91/50/464969150.db2.gz QFUUAAFZAKUCLX-HNNXBMFYSA-N 1 2 342.443 2.084 40 0 EEABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Cc2ccn[nH]2)[C@@H](C)C1 ZINC000252497394 464969155 /nfs/dbraw/zinc/96/91/55/464969155.db2.gz QFUUAAFZAKUCLX-HNNXBMFYSA-N 1 2 342.443 2.084 40 0 EEABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Cc2ccn[nH]2)[C@@H](C)C1 ZINC000252497394 464969163 /nfs/dbraw/zinc/96/91/63/464969163.db2.gz QFUUAAFZAKUCLX-HNNXBMFYSA-N 1 2 342.443 2.084 40 0 EEABLO Cn1cc([C@@H]2C[N@H+](Cc3ccccn3)CCN2Cc2ccccn2)cn1 ZINC000253426984 465011091 /nfs/dbraw/zinc/01/10/91/465011091.db2.gz UIUWSTINKBDAIV-FQEVSTJZSA-N 1 2 348.454 2.269 40 0 EEABLO Cn1cc([C@@H]2C[N@@H+](Cc3ccccn3)CCN2Cc2ccccn2)cn1 ZINC000253426984 465011095 /nfs/dbraw/zinc/01/10/95/465011095.db2.gz UIUWSTINKBDAIV-FQEVSTJZSA-N 1 2 348.454 2.269 40 0 EEABLO CC[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421373 468143384 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ZINC000257262329 244351306 /nfs/dbraw/zinc/35/13/06/244351306.db2.gz LKYSRNBLNYZTCI-SFHVURJKSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccccn2)CCN1C(C)=O ZINC000257262329 244351310 /nfs/dbraw/zinc/35/13/10/244351310.db2.gz LKYSRNBLNYZTCI-SFHVURJKSA-N 1 2 325.412 2.496 40 0 EEABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000044448676 204299802 /nfs/dbraw/zinc/29/98/02/204299802.db2.gz DYCNJNPXEMWSNJ-INIZCTEOSA-N 1 2 343.427 2.403 40 0 EEABLO CC[N@@H+]1CC[C@H](NC(=O)CCOC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000096501402 285399981 /nfs/dbraw/zinc/39/99/81/285399981.db2.gz XJTIVDSEXJZSJF-BBRMVZONSA-N 1 2 330.350 2.392 40 0 EEABLO CC[N@H+]1CC[C@H](NC(=O)CCOC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000096501402 285399982 /nfs/dbraw/zinc/39/99/82/285399982.db2.gz XJTIVDSEXJZSJF-BBRMVZONSA-N 1 2 330.350 2.392 40 0 EEABLO O=S(=O)(c1cccnc1)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000096428606 296472943 /nfs/dbraw/zinc/47/29/43/296472943.db2.gz VOLQLFKZAIAEQV-HNNXBMFYSA-N 1 2 340.408 2.271 40 0 EEABLO Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057363926 132200128 /nfs/dbraw/zinc/20/01/28/132200128.db2.gz YTOKYZBXKVRKBD-UHFFFAOYSA-N 1 2 325.412 2.461 40 0 EEABLO COC(=O)c1sccc1C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000095410299 277174892 /nfs/dbraw/zinc/17/48/92/277174892.db2.gz LTCKUWOUNBPXFM-UHFFFAOYSA-N 1 2 347.440 2.211 40 0 EEABLO COC(=O)c1sccc1C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000095410299 277174893 /nfs/dbraw/zinc/17/48/93/277174893.db2.gz LTCKUWOUNBPXFM-UHFFFAOYSA-N 1 2 347.440 2.211 40 0 EEABLO COC(=O)c1sccc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000088520304 277175057 /nfs/dbraw/zinc/17/50/57/277175057.db2.gz HMFGDIHJKOTDNT-UHFFFAOYSA-N 1 2 332.429 2.037 40 0 EEABLO COC(=O)c1sccc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000088520304 277175058 /nfs/dbraw/zinc/17/50/58/277175058.db2.gz HMFGDIHJKOTDNT-UHFFFAOYSA-N 1 2 332.429 2.037 40 0 EEABLO C[N@@H+]1CCC[C@@H]1c1cccnc1NS(=O)(=O)c1ccc(N)cc1 ZINC000005486033 462660809 /nfs/dbraw/zinc/66/08/09/462660809.db2.gz CNSIMCYISUDFFY-OAHLLOKOSA-N 1 2 332.429 2.231 40 0 EEABLO C[N@H+]1CCC[C@@H]1c1cccnc1NS(=O)(=O)c1ccc(N)cc1 ZINC000005486033 462660816 /nfs/dbraw/zinc/66/08/16/462660816.db2.gz CNSIMCYISUDFFY-OAHLLOKOSA-N 1 2 332.429 2.231 40 0 EEABLO COc1cccc([C@@H](NC(=O)N2CCCC2)c2[nH+]ccn2C)c1OC ZINC000012114965 462843215 /nfs/dbraw/zinc/84/32/15/462843215.db2.gz JJVGUTYEXGCFLJ-OAHLLOKOSA-N 1 2 344.415 2.332 40 0 EEABLO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cnnn1C ZINC000091962094 462914899 /nfs/dbraw/zinc/91/48/99/462914899.db2.gz CWNRFIDLQONCDW-DNVCBOLYSA-N 1 2 342.491 2.251 40 0 EEABLO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cnnn1C ZINC000091962094 462914902 /nfs/dbraw/zinc/91/49/02/462914902.db2.gz CWNRFIDLQONCDW-DNVCBOLYSA-N 1 2 342.491 2.251 40 0 EEABLO COc1ccc([C@@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)cc1OC ZINC000095533827 463106243 /nfs/dbraw/zinc/10/62/43/463106243.db2.gz XDEFATUOXZXNAZ-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc([C@@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)cc1OC ZINC000095533827 463106250 /nfs/dbraw/zinc/10/62/50/463106250.db2.gz XDEFATUOXZXNAZ-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc([C@@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)cc1OC ZINC000095533827 463106256 /nfs/dbraw/zinc/10/62/56/463106256.db2.gz XDEFATUOXZXNAZ-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1cccc(NCc2n[nH]c([C@@H]([NH3+])c3cccc(OC)c3)n2)c1 ZINC000095533552 463106741 /nfs/dbraw/zinc/10/67/41/463106741.db2.gz ODTVUUCYTCKZKE-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COc1cccc(NCc2nnc([C@@H]([NH3+])c3cccc(OC)c3)[nH]2)c1 ZINC000095533552 463106743 /nfs/dbraw/zinc/10/67/43/463106743.db2.gz ODTVUUCYTCKZKE-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COc1cccc(NCc2nc([C@@H]([NH3+])c3cccc(OC)c3)n[nH]2)c1 ZINC000095533552 463106748 /nfs/dbraw/zinc/10/67/48/463106748.db2.gz ODTVUUCYTCKZKE-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COC[C@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)Cc2ncn(C)c21 ZINC000096044791 463148750 /nfs/dbraw/zinc/14/87/50/463148750.db2.gz HMLOQYUYESZNTR-CQSZACIVSA-N 1 2 331.416 2.183 40 0 EEABLO COC[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)Cc2ncn(C)c21 ZINC000096044791 463148756 /nfs/dbraw/zinc/14/87/56/463148756.db2.gz HMLOQYUYESZNTR-CQSZACIVSA-N 1 2 331.416 2.183 40 0 EEABLO COC[C@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2[nH+]cn(C)c21 ZINC000096044791 463148759 /nfs/dbraw/zinc/14/87/59/463148759.db2.gz HMLOQYUYESZNTR-CQSZACIVSA-N 1 2 331.416 2.183 40 0 EEABLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1csnn1 ZINC000078917060 463166801 /nfs/dbraw/zinc/16/68/01/463166801.db2.gz GOZVQHDIAWRTFU-JTQLQIEISA-N 1 2 338.383 2.211 40 0 EEABLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1csnn1 ZINC000078917060 463166806 /nfs/dbraw/zinc/16/68/06/463166806.db2.gz GOZVQHDIAWRTFU-JTQLQIEISA-N 1 2 338.383 2.211 40 0 EEABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN(C(=O)c1cccc(Cl)c1)C2 ZINC000096084486 463170870 /nfs/dbraw/zinc/17/08/70/463170870.db2.gz BWNNIABOAIHPNY-UHFFFAOYSA-N 1 2 341.802 2.474 40 0 EEABLO O=C(c1cccnc1)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096187969 463200540 /nfs/dbraw/zinc/20/05/40/463200540.db2.gz CVEQWODBXDHXHM-HNNXBMFYSA-N 1 2 349.394 2.024 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cn1 ZINC000096226222 463220902 /nfs/dbraw/zinc/22/09/02/463220902.db2.gz ILOQOXJMWVYZNS-IBGZPJMESA-N 1 2 326.444 2.292 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cn1 ZINC000096226222 463220905 /nfs/dbraw/zinc/22/09/05/463220905.db2.gz ILOQOXJMWVYZNS-IBGZPJMESA-N 1 2 326.444 2.292 40 0 EEABLO O=C(C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NCC(F)(F)F ZINC000096414965 463247164 /nfs/dbraw/zinc/24/71/64/463247164.db2.gz SNSOFCJJPLSTPM-LBPRGKRZSA-N 1 2 346.324 2.399 40 0 EEABLO O=C(C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NCC(F)(F)F ZINC000096414965 463247167 /nfs/dbraw/zinc/24/71/67/463247167.db2.gz SNSOFCJJPLSTPM-LBPRGKRZSA-N 1 2 346.324 2.399 40 0 EEABLO Cc1cccn2cc(CCNC(=O)N[C@H]3CCO[C@@H](C4CC4)C3)[nH+]c12 ZINC000097378436 463358469 /nfs/dbraw/zinc/35/84/69/463358469.db2.gz SGTJVLHQNQQVNM-DOTOQJQBSA-N 1 2 342.443 2.442 40 0 EEABLO COc1ccc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)cc1 ZINC000100775083 463375246 /nfs/dbraw/zinc/37/52/46/463375246.db2.gz DSQWDZSYLVUUPX-UHFFFAOYSA-N 1 2 338.411 2.353 40 0 EEABLO COc1ccc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)cc1 ZINC000100775083 463375249 /nfs/dbraw/zinc/37/52/49/463375249.db2.gz DSQWDZSYLVUUPX-UHFFFAOYSA-N 1 2 338.411 2.353 40 0 EEABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](Cc1ccccc1F)CC3 ZINC000100769170 463375381 /nfs/dbraw/zinc/37/53/81/463375381.db2.gz XVGSLXRLGYYDGP-UHFFFAOYSA-N 1 2 326.375 2.483 40 0 EEABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](Cc1ccccc1F)CC3 ZINC000100769170 463375383 /nfs/dbraw/zinc/37/53/83/463375383.db2.gz XVGSLXRLGYYDGP-UHFFFAOYSA-N 1 2 326.375 2.483 40 0 EEABLO Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCC[NH+]1CCOCC1 ZINC000257173353 463756243 /nfs/dbraw/zinc/75/62/43/463756243.db2.gz KZHAAWSSOOYFRI-UHFFFAOYSA-N 1 2 343.402 2.258 40 0 EEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257298454 463766625 /nfs/dbraw/zinc/76/66/25/463766625.db2.gz RLQZEZYOZUZXGU-HNNXBMFYSA-N 1 2 337.427 2.390 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000257314391 463773063 /nfs/dbraw/zinc/77/30/63/463773063.db2.gz UWTBYNLAMJYLMC-ZDUSSCGKSA-N 1 2 331.420 2.184 40 0 EEABLO CCn1cc(C(=O)N2CCC3(CC(Nc4cc(C)[nH+]cn4)C3)C2)cn1 ZINC000257340129 463785541 /nfs/dbraw/zinc/78/55/41/463785541.db2.gz ZERGPSQMVIZRQS-UHFFFAOYSA-N 1 2 340.431 2.108 40 0 EEABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2cnc(C)cn2)cc1 ZINC000257343301 463788181 /nfs/dbraw/zinc/78/81/81/463788181.db2.gz ZSIGMTSRMIZTFD-QGZVFWFLSA-N 1 2 349.394 2.387 40 0 EEABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC000225516428 464167682 /nfs/dbraw/zinc/16/76/82/464167682.db2.gz KSSGBUTVRLINGF-CQSZACIVSA-N 1 2 342.418 2.311 40 0 EEABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000225516428 464167686 /nfs/dbraw/zinc/16/76/86/464167686.db2.gz KSSGBUTVRLINGF-CQSZACIVSA-N 1 2 342.418 2.311 40 0 EEABLO Fc1cccnc1OC[C@@H]1CCOC12C[NH+](Cc1ccccn1)C2 ZINC000247546634 464693749 /nfs/dbraw/zinc/69/37/49/464693749.db2.gz USFFYWFBFFOXCU-AWEZNQCLSA-N 1 2 329.375 2.286 40 0 EEABLO Cc1cnc(OC[C@@H]2Cc3c([nH+]cn3C)CN2Cc2ccco2)nc1 ZINC000585094589 468963255 /nfs/dbraw/zinc/96/32/55/468963255.db2.gz CWMRJKGDXIMTQQ-AWEZNQCLSA-N 1 2 339.399 2.117 40 0 EEABLO O=C(C[C@H]1Cn2cccc2C[N@H+](Cc2nccs2)C1)N1CCCO1 ZINC000585099188 468967261 /nfs/dbraw/zinc/96/72/61/468967261.db2.gz SDQGFOFYTBQYQI-CQSZACIVSA-N 1 2 346.456 2.131 40 0 EEABLO O=C(C[C@H]1Cn2cccc2C[N@@H+](Cc2nccs2)C1)N1CCCO1 ZINC000585099188 468967267 /nfs/dbraw/zinc/96/72/67/468967267.db2.gz SDQGFOFYTBQYQI-CQSZACIVSA-N 1 2 346.456 2.131 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)o1 ZINC000585110882 468973738 /nfs/dbraw/zinc/97/37/38/468973738.db2.gz SPHKFDNKBFMDNH-INIZCTEOSA-N 1 2 342.443 2.337 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)o1 ZINC000585110882 468973740 /nfs/dbraw/zinc/97/37/40/468973740.db2.gz SPHKFDNKBFMDNH-INIZCTEOSA-N 1 2 342.443 2.337 40 0 EEABLO Cc1cc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)nc[nH+]1 ZINC000585149524 468994722 /nfs/dbraw/zinc/99/47/22/468994722.db2.gz YXXQWGBVEBILMP-UHFFFAOYSA-N 1 2 338.337 2.229 40 0 EEABLO CCc1cc(N2CCN(c3cncc(OC)c3)CC2)nc(CC)[nH+]1 ZINC000894746033 683062717 /nfs/dbraw/zinc/06/27/17/683062717.db2.gz TWSVFDJCEHDCCP-UHFFFAOYSA-N 1 2 327.432 2.332 40 0 EEABLO Cc1ccccc1OC1CC[NH+](CC(=O)Nc2cnn(C)c2)CC1 ZINC000019658860 202014990 /nfs/dbraw/zinc/01/49/90/202014990.db2.gz GEHRZKQWUGFQJL-UHFFFAOYSA-N 1 2 328.416 2.210 40 0 EEABLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nncs2)c1 ZINC000072665413 202364836 /nfs/dbraw/zinc/36/48/36/202364836.db2.gz LQZFEMYGPPRWGF-AWEZNQCLSA-N 1 2 331.445 2.380 40 0 EEABLO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nncs2)c1 ZINC000072665413 202364837 /nfs/dbraw/zinc/36/48/37/202364837.db2.gz LQZFEMYGPPRWGF-AWEZNQCLSA-N 1 2 331.445 2.380 40 0 EEABLO CCOc1cccc(S(=O)(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000241930308 243005346 /nfs/dbraw/zinc/00/53/46/243005346.db2.gz UHMXHZUPVZSCLX-AWEZNQCLSA-N 1 2 349.456 2.446 40 0 EEABLO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](Cc2ccoc2)C3)nc1 ZINC000253600250 244033064 /nfs/dbraw/zinc/03/30/64/244033064.db2.gz ILKPUWJVUQGCNP-MRXNPFEDSA-N 1 2 328.416 2.471 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN2C(=O)CCn2nnc3ccccc32)[nH+]1 ZINC000257230876 244212412 /nfs/dbraw/zinc/21/24/12/244212412.db2.gz GEHUGJNDYYRKNO-MRXNPFEDSA-N 1 2 338.415 2.227 40 0 EEABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072382771 203210436 /nfs/dbraw/zinc/21/04/36/203210436.db2.gz CLZQDKDEPDRXGV-CQSZACIVSA-N 1 2 348.414 2.411 40 0 EEABLO CN(C)C(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000072366068 203207062 /nfs/dbraw/zinc/20/70/62/203207062.db2.gz VBSDDFAOKSXRNY-HNNXBMFYSA-N 1 2 333.432 2.270 40 0 EEABLO CO[C@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2F)CC[C@]12CCCO2 ZINC000257253722 244275528 /nfs/dbraw/zinc/27/55/28/244275528.db2.gz JZZVXJLYOWHYGU-FUHWJXTLSA-N 1 2 336.407 2.343 40 0 EEABLO CO[C@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2F)CC[C@]12CCCO2 ZINC000257253722 244275533 /nfs/dbraw/zinc/27/55/33/244275533.db2.gz JZZVXJLYOWHYGU-FUHWJXTLSA-N 1 2 336.407 2.343 40 0 EEABLO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1cccc(F)c1 ZINC000057363961 132200196 /nfs/dbraw/zinc/20/01/96/132200196.db2.gz PCRCYFSZQFPMMR-UHFFFAOYSA-N 1 2 329.375 2.292 40 0 EEABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(C3CC3)no2)cc1 ZINC000015674811 462960049 /nfs/dbraw/zinc/96/00/49/462960049.db2.gz VTPCHLNJNZOGJK-CVEARBPZSA-N 1 2 342.399 2.213 40 0 biogenic,in-vitro EEABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(C3CC3)no2)cc1 ZINC000015674811 462960052 /nfs/dbraw/zinc/96/00/52/462960052.db2.gz VTPCHLNJNZOGJK-CVEARBPZSA-N 1 2 342.399 2.213 40 0 biogenic,in-vitro EEABLO Cc1cc(N2CCN(C(=O)[C@]3(C)CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000019117545 463013712 /nfs/dbraw/zinc/01/37/12/463013712.db2.gz TZTCXEBMMOSKGA-SFHVURJKSA-N 1 2 332.448 2.126 40 0 EEABLO O=C(C[N@H+](Cc1ccco1)Cc1ccc(O)cc1)NC1CCOCC1 ZINC000096414864 463247282 /nfs/dbraw/zinc/24/72/82/463247282.db2.gz PHNMUDXAFUIAPD-UHFFFAOYSA-N 1 2 344.411 2.283 40 0 EEABLO O=C(C[N@@H+](Cc1ccco1)Cc1ccc(O)cc1)NC1CCOCC1 ZINC000096414864 463247287 /nfs/dbraw/zinc/24/72/87/463247287.db2.gz PHNMUDXAFUIAPD-UHFFFAOYSA-N 1 2 344.411 2.283 40 0 EEABLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096416899 463249661 /nfs/dbraw/zinc/24/96/61/463249661.db2.gz YCPCZZRGZWHZKP-SNVBAGLBSA-N 1 2 328.294 2.038 40 0 EEABLO COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1cccnn1 ZINC000257231799 463758492 /nfs/dbraw/zinc/75/84/92/463758492.db2.gz GIGPKQBYNPYGJZ-INIZCTEOSA-N 1 2 349.394 2.387 40 0 EEABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@@H+]2Cc2ccncc2)cc1 ZINC000257333985 463782143 /nfs/dbraw/zinc/78/21/43/463782143.db2.gz YEAHKMGQQAYCHS-LJQANCHMSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@H+]2Cc2ccncc2)cc1 ZINC000257333985 463782149 /nfs/dbraw/zinc/78/21/49/463782149.db2.gz YEAHKMGQQAYCHS-LJQANCHMSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CCN1CCCC1=O ZINC000248149415 464734196 /nfs/dbraw/zinc/73/41/96/464734196.db2.gz VATJGFRHQXPIBV-QGZVFWFLSA-N 1 2 344.455 2.299 40 0 EEABLO CN(CCc1cccs1)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000266243524 464769485 /nfs/dbraw/zinc/76/94/85/464769485.db2.gz XWDGNQFODZQDJD-AWEZNQCLSA-N 1 2 332.473 2.426 40 0 EEABLO CN(CCc1cccs1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000266243524 464769491 /nfs/dbraw/zinc/76/94/91/464769491.db2.gz XWDGNQFODZQDJD-AWEZNQCLSA-N 1 2 332.473 2.426 40 0 EEABLO CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000253398597 465001581 /nfs/dbraw/zinc/00/15/81/465001581.db2.gz XMNMAHLWEBNLTD-INIZCTEOSA-N 1 2 332.448 2.106 40 0 EEABLO FC(F)(F)c1nsc(NCc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000253415256 465002853 /nfs/dbraw/zinc/00/28/53/465002853.db2.gz VZZPAMJQZKALMR-UHFFFAOYSA-N 1 2 345.350 2.401 40 0 EEABLO Cc1noc(C)c1C[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000253417161 465005728 /nfs/dbraw/zinc/00/57/28/465005728.db2.gz IFZVHLZJDDVLQS-UHFFFAOYSA-N 1 2 335.429 2.073 40 0 EEABLO Cc1noc(C)c1C[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000253417161 465005732 /nfs/dbraw/zinc/00/57/32/465005732.db2.gz IFZVHLZJDDVLQS-UHFFFAOYSA-N 1 2 335.429 2.073 40 0 EEABLO Cc1ccc(C[N@H+](Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575422787 468143710 /nfs/dbraw/zinc/14/37/10/468143710.db2.gz WLZKROGEWHPAKK-RBUKOAKNSA-N 1 2 345.464 2.155 40 0 EEABLO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575422787 468143713 /nfs/dbraw/zinc/14/37/13/468143713.db2.gz WLZKROGEWHPAKK-RBUKOAKNSA-N 1 2 345.464 2.155 40 0 EEABLO C[C@@H]1c2[nH+]cc(CCOCC3CC3)n2CCN1C(=O)CC1(O)CCC1 ZINC000585098672 468966903 /nfs/dbraw/zinc/96/69/03/468966903.db2.gz WPYZOCASZYNMLQ-CQSZACIVSA-N 1 2 347.459 2.061 40 0 EEABLO CCCNC(=O)C1=NO[C@@]2(C1)CCC[N@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101237 468968379 /nfs/dbraw/zinc/96/83/79/468968379.db2.gz PUJJRUGSWWXHQL-GOSISDBHSA-N 1 2 347.463 2.101 40 0 EEABLO CCCNC(=O)C1=NO[C@@]2(C1)CCC[N@@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101237 468968389 /nfs/dbraw/zinc/96/83/89/468968389.db2.gz PUJJRUGSWWXHQL-GOSISDBHSA-N 1 2 347.463 2.101 40 0 EEABLO CCc1nnsc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000019521901 202010223 /nfs/dbraw/zinc/01/02/23/202010223.db2.gz FEPXNZIKSQYTJZ-CYBMUJFWSA-N 1 2 345.403 2.493 40 0 EEABLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cc3ccccn3c2)no1 ZINC000073259388 202370067 /nfs/dbraw/zinc/37/00/67/202370067.db2.gz NUNHUEFCIPRHEH-UHFFFAOYSA-N 1 2 327.388 2.049 40 0 EEABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ccnnc2)cc1 ZINC000257201067 244121100 /nfs/dbraw/zinc/12/11/00/244121100.db2.gz AGBJZXTZQIMINF-INIZCTEOSA-N 1 2 335.367 2.079 40 0 EEABLO CN(C)c1nccc([C@@H]2CCCC[N@@H+]2Cc2cnn3cccnc23)n1 ZINC000257218262 244173786 /nfs/dbraw/zinc/17/37/86/244173786.db2.gz DCLBUHZLDDBKJD-INIZCTEOSA-N 1 2 337.431 2.313 40 0 EEABLO CN(C)c1nccc([C@@H]2CCCC[N@H+]2Cc2cnn3cccnc23)n1 ZINC000257218262 244173791 /nfs/dbraw/zinc/17/37/91/244173791.db2.gz DCLBUHZLDDBKJD-INIZCTEOSA-N 1 2 337.431 2.313 40 0 EEABLO Cc1[nH+]c([C@H]2CCCN(S(C)(=O)=O)C2)c2sc(C)c(C)n12 ZINC000072351272 203204602 /nfs/dbraw/zinc/20/46/02/203204602.db2.gz LEKLIJSHOYHQNA-LBPRGKRZSA-N 1 2 327.475 2.460 40 0 EEABLO O=C(CC1CC1)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257247052 244260936 /nfs/dbraw/zinc/26/09/36/244260936.db2.gz IXELAAGHSMNHIM-GOSISDBHSA-N 1 2 329.444 2.377 40 0 EEABLO CCCCNC(=O)N1CCc2[nH+]c(NC(C)C)nc(N(C)C)c2C1 ZINC000096254061 203884790 /nfs/dbraw/zinc/88/47/90/203884790.db2.gz AXCCAAYXANIIKA-UHFFFAOYSA-N 1 2 334.468 2.231 40 0 EEABLO COc1cnccc1[C@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000187490542 533143328 /nfs/dbraw/zinc/14/33/28/533143328.db2.gz DKJFANPGNOLAKP-ZDUSSCGKSA-N 1 2 329.404 2.394 40 0 EEABLO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(c4ncccn4)CCO3)C2)cs1 ZINC000096074920 279083566 /nfs/dbraw/zinc/08/35/66/279083566.db2.gz NSUKLVMOCFAWRC-KRWDZBQOSA-N 1 2 345.472 2.113 40 0 EEABLO Cc1nc(C[N@H+]2CCC[C@@]3(CN(c4ncccn4)CCO3)C2)cs1 ZINC000096074920 279083568 /nfs/dbraw/zinc/08/35/68/279083568.db2.gz NSUKLVMOCFAWRC-KRWDZBQOSA-N 1 2 345.472 2.113 40 0 EEABLO C=COCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116357 462844244 /nfs/dbraw/zinc/84/42/44/462844244.db2.gz MXUDCOFFCIKUKM-UHFFFAOYSA-N 1 2 328.416 2.066 40 0 EEABLO O=S(=O)(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cccc(F)c1 ZINC000078515396 463123343 /nfs/dbraw/zinc/12/33/43/463123343.db2.gz QBIVJEIXUCVNIL-CQSZACIVSA-N 1 2 335.404 2.168 40 0 EEABLO CN(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4nccs4)C[C@H]3O2)n1 ZINC000096046383 463150614 /nfs/dbraw/zinc/15/06/14/463150614.db2.gz ACRSYRFJFIACJH-AEGPPILISA-N 1 2 345.472 2.351 40 0 EEABLO CN(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4nccs4)C[C@H]3O2)n1 ZINC000096046383 463150619 /nfs/dbraw/zinc/15/06/19/463150619.db2.gz ACRSYRFJFIACJH-AEGPPILISA-N 1 2 345.472 2.351 40 0 EEABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)Cc1cccs1 ZINC000096201263 463205387 /nfs/dbraw/zinc/20/53/87/463205387.db2.gz IHRLHNHJZVAGQG-ZDUSSCGKSA-N 1 2 341.440 2.335 40 0 EEABLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000079352906 463208137 /nfs/dbraw/zinc/20/81/37/463208137.db2.gz KHDGALARSOGWFB-HNNXBMFYSA-N 1 2 339.443 2.062 40 0 EEABLO CCOCC(=O)N1CC[C@@]2(C1)CCC[C@@H](CNc1cccc[nH+]1)O2 ZINC000096209593 463213831 /nfs/dbraw/zinc/21/38/31/463213831.db2.gz JUEAWXBBOJNRLM-MAUKXSAKSA-N 1 2 333.432 2.070 40 0 EEABLO Cc1ccc(C(=O)N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)s1 ZINC000096421077 463251659 /nfs/dbraw/zinc/25/16/59/463251659.db2.gz VSHISNBFCHQOPQ-HNNXBMFYSA-N 1 2 338.473 2.010 40 0 EEABLO CC1(C)C[NH+]=C(N2CCN(C(=O)CCCn3cccc3)CC2)S1 ZINC000096484084 463282264 /nfs/dbraw/zinc/28/22/64/463282264.db2.gz ORONDQVZCICMST-UHFFFAOYSA-N 1 2 334.489 2.294 40 0 EEABLO O=C(NCCc1cccc(F)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000097096493 463322431 /nfs/dbraw/zinc/32/24/31/463322431.db2.gz OPSMZGRTXBAUDS-UHFFFAOYSA-N 1 2 342.418 2.291 40 0 EEABLO C[C@H](Sc1ccccn1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000084921873 463637085 /nfs/dbraw/zinc/63/70/85/463637085.db2.gz GOYYBNLIBSNZBV-ZDUSSCGKSA-N 1 2 339.424 2.459 40 0 EEABLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccccc2N2CCOCC2)nc1 ZINC000043985012 463664605 /nfs/dbraw/zinc/66/46/05/463664605.db2.gz UTYVSDMKKJXMLL-WOJGMQOQSA-N 1 2 327.344 2.272 40 0 EEABLO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC[NH+]1CCOCC1 ZINC000044899676 463700266 /nfs/dbraw/zinc/70/02/66/463700266.db2.gz OELWKRHBWBLIBP-LJQANCHMSA-N 1 2 342.439 2.446 40 0 EEABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cnccn3)CC[N@@H+]2C)cc1 ZINC000257280275 463760609 /nfs/dbraw/zinc/76/06/09/463760609.db2.gz OKGICFKPDMROEH-SFHVURJKSA-N 1 2 340.427 2.393 40 0 EEABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cnccn3)CC[N@H+]2C)cc1 ZINC000257280275 463760614 /nfs/dbraw/zinc/76/06/14/463760614.db2.gz OKGICFKPDMROEH-SFHVURJKSA-N 1 2 340.427 2.393 40 0 EEABLO CC(=O)N1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000257318132 463775561 /nfs/dbraw/zinc/77/55/61/463775561.db2.gz VMPRQDUDHUGKSP-SFHVURJKSA-N 1 2 340.427 2.095 40 0 EEABLO CO[C@@H]1CCCC[C@@H](N(C)C(=O)Cn2c(C)[nH+]c3ccccc32)[C@H]1O ZINC000257319260 463776821 /nfs/dbraw/zinc/77/68/21/463776821.db2.gz VROIXFDGYVEJKI-ZHALLVOQSA-N 1 2 345.443 2.122 40 0 EEABLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257327381 463779704 /nfs/dbraw/zinc/77/97/04/463779704.db2.gz XBCMBZXSMWLRAB-HKUYNNGSSA-N 1 2 332.444 2.364 40 0 EEABLO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257327381 463779708 /nfs/dbraw/zinc/77/97/08/463779708.db2.gz XBCMBZXSMWLRAB-HKUYNNGSSA-N 1 2 332.444 2.364 40 0 EEABLO CN(C)c1nccnc1[C@@H]1C[N@H+](CCOc2ccc(F)cc2)CCO1 ZINC000257326807 463779908 /nfs/dbraw/zinc/77/99/08/463779908.db2.gz WYQYAPVIUZVJEQ-INIZCTEOSA-N 1 2 346.406 2.134 40 0 EEABLO CN(C)c1nccnc1[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CCO1 ZINC000257326807 463779911 /nfs/dbraw/zinc/77/99/11/463779911.db2.gz WYQYAPVIUZVJEQ-INIZCTEOSA-N 1 2 346.406 2.134 40 0 EEABLO O=C(Nc1ccc(OC(F)F)nc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000283235895 463814834 /nfs/dbraw/zinc/81/48/34/463814834.db2.gz TWSSUTHAIREJKO-UHFFFAOYSA-N 1 2 349.341 2.432 40 0 EEABLO COc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1Cc1ccccc1 ZINC000195543096 464073129 /nfs/dbraw/zinc/07/31/29/464073129.db2.gz AKIGQZGAJLLDNZ-KRWDZBQOSA-N 1 2 326.396 2.213 40 0 EEABLO Nc1[nH+]cnc(N2CCCN(C(=O)c3cccs3)CC2)c1Cl ZINC000225479027 464164208 /nfs/dbraw/zinc/16/42/08/464164208.db2.gz AJKHVPIENKGCRT-UHFFFAOYSA-N 1 2 337.836 2.126 40 0 EEABLO Nc1nc[nH+]c(N2CCCN(C(=O)c3cccs3)CC2)c1Cl ZINC000225479027 464164211 /nfs/dbraw/zinc/16/42/11/464164211.db2.gz AJKHVPIENKGCRT-UHFFFAOYSA-N 1 2 337.836 2.126 40 0 EEABLO O=C1CCCN1c1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1 ZINC000225521612 464168205 /nfs/dbraw/zinc/16/82/05/464168205.db2.gz GYQPSXLYHYMDKQ-UHFFFAOYSA-N 1 2 343.456 2.387 40 0 EEABLO CCOc1cc(Cl)ccc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000182202892 464597688 /nfs/dbraw/zinc/59/76/88/464597688.db2.gz JHBMGWVWADLOQN-AWEZNQCLSA-N 1 2 338.835 2.285 40 0 EEABLO O=C(NC1CC1)[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247758658 464705816 /nfs/dbraw/zinc/70/58/16/464705816.db2.gz YWZISFZYAIHIQQ-SFHVURJKSA-N 1 2 335.411 2.200 40 0 EEABLO O=C(NC1CC1)[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247758658 464705819 /nfs/dbraw/zinc/70/58/19/464705819.db2.gz YWZISFZYAIHIQQ-SFHVURJKSA-N 1 2 335.411 2.200 40 0 EEABLO c1cncc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)c1 ZINC000247917639 464715591 /nfs/dbraw/zinc/71/55/91/464715591.db2.gz BREIVCMIJOKYGN-GOSISDBHSA-N 1 2 332.444 2.258 40 0 EEABLO Cc1ccsc1C[N@@H+]1Cc2ncn(C)c2[C@@H](C(=O)NCC2CC2)C1 ZINC000248068484 464728016 /nfs/dbraw/zinc/72/80/16/464728016.db2.gz WSGYIJBMYPUJPA-AWEZNQCLSA-N 1 2 344.484 2.416 40 0 EEABLO Cc1ccsc1C[N@H+]1Cc2ncn(C)c2[C@@H](C(=O)NCC2CC2)C1 ZINC000248068484 464728023 /nfs/dbraw/zinc/72/80/23/464728023.db2.gz WSGYIJBMYPUJPA-AWEZNQCLSA-N 1 2 344.484 2.416 40 0 EEABLO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000252535770 464980675 /nfs/dbraw/zinc/98/06/75/464980675.db2.gz GVGKSTHOYNYQAX-SJLPKXTDSA-N 1 2 330.428 2.067 40 0 EEABLO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000252535770 464980678 /nfs/dbraw/zinc/98/06/78/464980678.db2.gz GVGKSTHOYNYQAX-SJLPKXTDSA-N 1 2 330.428 2.067 40 0 EEABLO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1noc(C)n1)CC2 ZINC000253432928 465015213 /nfs/dbraw/zinc/01/52/13/465015213.db2.gz PYOLVCWQNKPQGG-UHFFFAOYSA-N 1 2 333.388 2.005 40 0 EEABLO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1noc(C)n1)CC2 ZINC000253432928 465015217 /nfs/dbraw/zinc/01/52/17/465015217.db2.gz PYOLVCWQNKPQGG-UHFFFAOYSA-N 1 2 333.388 2.005 40 0 EEABLO COCCc1c[nH+]c2n1CCN(C(=O)Cc1ccccc1F)[C@H]2C ZINC000585097128 468965726 /nfs/dbraw/zinc/96/57/26/468965726.db2.gz FYWOPJQCNRNIAI-ZDUSSCGKSA-N 1 2 331.391 2.357 40 0 EEABLO Cc1cc(CN2CCn3c(CCOCC4CC4)c[nH+]c3[C@@H]2C)[nH]n1 ZINC000585097335 468965837 /nfs/dbraw/zinc/96/58/37/468965837.db2.gz IWBIVCVSAOVIQY-AWEZNQCLSA-N 1 2 329.448 2.461 40 0 EEABLO Cc1ncccc1C[N@@H+]1CCO[C@](CO)(Cc2cccc(F)c2)C1 ZINC000585276865 469002109 /nfs/dbraw/zinc/00/21/09/469002109.db2.gz SBYVPVKJZDDEMB-LJQANCHMSA-N 1 2 330.403 2.335 40 0 EEABLO Cc1ncccc1C[N@H+]1CCO[C@](CO)(Cc2cccc(F)c2)C1 ZINC000585276865 469002116 /nfs/dbraw/zinc/00/21/16/469002116.db2.gz SBYVPVKJZDDEMB-LJQANCHMSA-N 1 2 330.403 2.335 40 0 EEABLO Cc1nsc(N2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000072801077 202368736 /nfs/dbraw/zinc/36/87/36/202368736.db2.gz AVLCXVQTWNNYFM-UHFFFAOYSA-N 1 2 349.435 2.136 40 0 EEABLO Cc1nsc(N2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000072801077 202368741 /nfs/dbraw/zinc/36/87/41/202368741.db2.gz AVLCXVQTWNNYFM-UHFFFAOYSA-N 1 2 349.435 2.136 40 0 EEABLO CCOC(=O)c1cnc(N2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000075968523 202380298 /nfs/dbraw/zinc/38/02/98/202380298.db2.gz LFQSQMQMCSHSSJ-UHFFFAOYSA-N 1 2 332.429 2.037 40 0 EEABLO c1cncc(C[NH+]2CC3(C2)C[C@@H](CCOc2cnccn2)CCO3)c1 ZINC000253602910 244033739 /nfs/dbraw/zinc/03/37/39/244033739.db2.gz TVHRPOJLFSJRKX-INIZCTEOSA-N 1 2 340.427 2.322 40 0 EEABLO Cc1nc(Nc2nccs2)cc(C2CN(Cc3[nH]cc[nH+]3)C2)n1 ZINC000072382781 203209930 /nfs/dbraw/zinc/20/99/30/203209930.db2.gz PZPIPUMVGVRTDI-UHFFFAOYSA-N 1 2 327.417 2.308 40 0 EEABLO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCC[N@@H+]3CCO)n2)n1 ZINC000072382370 203210881 /nfs/dbraw/zinc/21/08/81/203210881.db2.gz KOVSMKFLWIUPJU-CQSZACIVSA-N 1 2 328.420 2.065 40 0 EEABLO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCC[N@H+]3CCO)n2)n1 ZINC000072382370 203210884 /nfs/dbraw/zinc/21/08/84/203210884.db2.gz KOVSMKFLWIUPJU-CQSZACIVSA-N 1 2 328.420 2.065 40 0 EEABLO Cc1cc(CC2CCN(C(=O)C(C)(C)n3cncn3)CC2)cc[nH+]1 ZINC000257235700 244229183 /nfs/dbraw/zinc/22/91/83/244229183.db2.gz GYZBEIBZQVPOEE-UHFFFAOYSA-N 1 2 327.432 2.198 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257267768 244366208 /nfs/dbraw/zinc/36/62/08/244366208.db2.gz MIRSXSGSMIWDSJ-HNNXBMFYSA-N 1 2 338.415 2.341 40 0 EEABLO CCn1c(SCC[NH+]2CCOCC2)nnc1-c1ccccc1OC ZINC000019524211 212037795 /nfs/dbraw/zinc/03/77/95/212037795.db2.gz VPGLRDMGJOOKKB-UHFFFAOYSA-N 1 2 348.472 2.398 40 0 EEABLO COc1ccc(OCC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000130417282 205239776 /nfs/dbraw/zinc/23/97/76/205239776.db2.gz TZLBYNGPBJNHDL-HNNXBMFYSA-N 1 2 341.411 2.254 40 0 EEABLO CCOc1ncccc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130777834 205257911 /nfs/dbraw/zinc/25/79/11/205257911.db2.gz NOVJNVXABOLIHG-AWEZNQCLSA-N 1 2 326.400 2.274 40 0 EEABLO c1ccc2c(c1)nc1nc3c(c(NCC[NH+]4CCOCC4)n21)CCC3 ZINC000033945181 285526293 /nfs/dbraw/zinc/52/62/93/285526293.db2.gz REFSZUDXZBEOJO-UHFFFAOYSA-N 1 2 337.427 2.115 40 0 EEABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1CC(=O)N1CCCC1 ZINC000257239854 295395581 /nfs/dbraw/zinc/39/55/81/295395581.db2.gz HRBYOVPKBPJXRK-INIZCTEOSA-N 1 2 340.427 2.071 40 0 EEABLO O=C(Cn1cc[nH+]c1)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012221882 462846819 /nfs/dbraw/zinc/84/68/19/462846819.db2.gz BDYMAENLXBOXHD-HNNXBMFYSA-N 1 2 327.384 2.072 40 0 EEABLO Cc1nn(CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c(C)c1C ZINC000019557202 463019742 /nfs/dbraw/zinc/01/97/42/463019742.db2.gz MOMQWYIPMOVIFP-KRWDZBQOSA-N 1 2 341.459 2.236 40 0 EEABLO O=C(NC1CCCC1)[C@@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038883 463144220 /nfs/dbraw/zinc/14/42/20/463144220.db2.gz MPSAAZCUSFRURR-RRFJBIMHSA-N 1 2 335.473 2.039 40 0 EEABLO O=C(NC1CCCC1)[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038883 463144228 /nfs/dbraw/zinc/14/42/28/463144228.db2.gz MPSAAZCUSFRURR-RRFJBIMHSA-N 1 2 335.473 2.039 40 0 EEABLO CN(Cc1cn2c(n1)C[N@@H+](Cc1ccncc1)CC2)Cc1cccnc1 ZINC000096197487 463203396 /nfs/dbraw/zinc/20/33/96/463203396.db2.gz JTCZUAZNIPNHRQ-UHFFFAOYSA-N 1 2 348.454 2.321 40 0 EEABLO CN(Cc1cn2c(n1)C[N@H+](Cc1ccncc1)CC2)Cc1cccnc1 ZINC000096197487 463203398 /nfs/dbraw/zinc/20/33/98/463203398.db2.gz JTCZUAZNIPNHRQ-UHFFFAOYSA-N 1 2 348.454 2.321 40 0 EEABLO O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2O1)NCc1ccco1 ZINC000096207777 463210059 /nfs/dbraw/zinc/21/00/59/463210059.db2.gz FKVOCMMSUOHNOD-AEGPPILISA-N 1 2 347.440 2.032 40 0 EEABLO O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2O1)NCc1ccco1 ZINC000096207777 463210064 /nfs/dbraw/zinc/21/00/64/463210064.db2.gz FKVOCMMSUOHNOD-AEGPPILISA-N 1 2 347.440 2.032 40 0 EEABLO c1csc(CN2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)n1 ZINC000096208949 463211556 /nfs/dbraw/zinc/21/15/56/463211556.db2.gz MSJYLUPLXSZVLL-CQSZACIVSA-N 1 2 341.440 2.446 40 0 EEABLO Cn1c[nH+]cc1CN1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096226274 463221434 /nfs/dbraw/zinc/22/14/34/463221434.db2.gz OSFDVEUFJJYHNF-LJQANCHMSA-N 1 2 344.434 2.431 40 0 EEABLO C[C@H](c1cccnc1)[NH+]1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000096424293 463255070 /nfs/dbraw/zinc/25/50/70/463255070.db2.gz WTMRDEQMGGAUET-KDOFPFPSSA-N 1 2 342.418 2.126 40 0 EEABLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCOC[C@H]2CCCO2)c1 ZINC000096436558 463264560 /nfs/dbraw/zinc/26/45/60/463264560.db2.gz PNDGAWYRYIXUHR-OAHLLOKOSA-N 1 2 329.400 2.106 40 0 EEABLO Cc1ccc(C)c([C@@H]2C[N@H+](CCN3C(=O)CCC3=O)[C@H](C)CO2)c1 ZINC000096441486 463266800 /nfs/dbraw/zinc/26/68/00/463266800.db2.gz FLOGBWIYGTXXAV-WBVHZDCISA-N 1 2 330.428 2.214 40 0 EEABLO Cc1ccc(C)c([C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)[C@H](C)CO2)c1 ZINC000096441486 463266807 /nfs/dbraw/zinc/26/68/07/463266807.db2.gz FLOGBWIYGTXXAV-WBVHZDCISA-N 1 2 330.428 2.214 40 0 EEABLO C[N@@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096486558 463284111 /nfs/dbraw/zinc/28/41/11/463284111.db2.gz UKVDAYMAARCMQK-WBVHZDCISA-N 1 2 334.370 2.113 40 0 EEABLO C[N@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096486558 463284118 /nfs/dbraw/zinc/28/41/18/463284118.db2.gz UKVDAYMAARCMQK-WBVHZDCISA-N 1 2 334.370 2.113 40 0 EEABLO C[C@H](C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)[NH+]1CCSCC1 ZINC000096486915 463285178 /nfs/dbraw/zinc/28/51/78/463285178.db2.gz ZEBJMBBADHDHQP-ZBFHGGJFSA-N 1 2 338.473 2.225 40 0 EEABLO COc1cccc([C@H](C)N2CC[NH+](CCc3nnc(N)s3)CC2)c1 ZINC000097373526 463355650 /nfs/dbraw/zinc/35/56/50/463355650.db2.gz ZDWXCJBJTPMUMD-ZDUSSCGKSA-N 1 2 347.488 2.050 40 0 EEABLO CCOC(=O)C1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000038862601 463449054 /nfs/dbraw/zinc/44/90/54/463449054.db2.gz RTCJNKVHLOPRPF-UHFFFAOYSA-N 1 2 341.411 2.347 40 0 EEABLO O=C(CCCn1cc[nH+]c1)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257283644 463761942 /nfs/dbraw/zinc/76/19/42/463761942.db2.gz OZESUINGVXILAO-OAHLLOKOSA-N 1 2 329.404 2.011 40 0 EEABLO Cc1ccc(CC(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)s1 ZINC000257286828 463763116 /nfs/dbraw/zinc/76/31/16/463763116.db2.gz PNGADEWSWWVYQU-GOSISDBHSA-N 1 2 345.468 2.142 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@H](OC)[C@@]2(CCCO2)C1 ZINC000257304569 463770366 /nfs/dbraw/zinc/77/03/66/463770366.db2.gz SMGSCMPUNATTJN-IEBWSBKVSA-N 1 2 348.443 2.212 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@H](OC)[C@@]2(CCCO2)C1 ZINC000257304569 463770369 /nfs/dbraw/zinc/77/03/69/463770369.db2.gz SMGSCMPUNATTJN-IEBWSBKVSA-N 1 2 348.443 2.212 40 0 EEABLO Cc1[nH+]cc(-c2nccnc2C[C@@H]2CCCN(c3cnccn3)C2)n1C ZINC000257308226 463772459 /nfs/dbraw/zinc/77/24/59/463772459.db2.gz TVXSWIGKYIZMLK-HNNXBMFYSA-N 1 2 349.442 2.435 40 0 EEABLO CCn1nc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3OC)C2)cc1C ZINC000257319240 463776553 /nfs/dbraw/zinc/77/65/53/463776553.db2.gz VRLVJTCRWJJMHM-KRWDZBQOSA-N 1 2 342.443 2.349 40 0 EEABLO CCn1nc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3OC)C2)cc1C ZINC000257319240 463776561 /nfs/dbraw/zinc/77/65/61/463776561.db2.gz VRLVJTCRWJJMHM-KRWDZBQOSA-N 1 2 342.443 2.349 40 0 EEABLO CCOC(=O)c1c[nH]n(C2CC[NH+](Cc3cncc(C)c3)CC2)c1=N ZINC000225500828 464166430 /nfs/dbraw/zinc/16/64/30/464166430.db2.gz WNAONXNHTSSRKM-UHFFFAOYSA-N 1 2 343.431 2.013 40 0 EEABLO C[N@H+](CC(=O)N1CCOCC1)Cc1cnc(-c2cccs2)s1 ZINC000179676730 464172647 /nfs/dbraw/zinc/17/26/47/464172647.db2.gz GHHAEZKZANXQFX-UHFFFAOYSA-N 1 2 337.470 2.162 40 0 EEABLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cnc(-c2cccs2)s1 ZINC000179676730 464172654 /nfs/dbraw/zinc/17/26/54/464172654.db2.gz GHHAEZKZANXQFX-UHFFFAOYSA-N 1 2 337.470 2.162 40 0 EEABLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000191961245 464835255 /nfs/dbraw/zinc/83/52/55/464835255.db2.gz CRPLEHAIHQPJQX-NSHDSACASA-N 1 2 346.460 2.025 40 0 EEABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccnnc2)[C@H](C)C1 ZINC000252497978 464969934 /nfs/dbraw/zinc/96/99/34/464969934.db2.gz QSTSSNMEUSNSMQ-OAHLLOKOSA-N 1 2 340.427 2.222 40 0 EEABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccnnc2)[C@H](C)C1 ZINC000252497978 464969935 /nfs/dbraw/zinc/96/99/35/464969935.db2.gz QSTSSNMEUSNSMQ-OAHLLOKOSA-N 1 2 340.427 2.222 40 0 EEABLO C[N@@H+]1CCC[C@@H]1c1nc(C(=O)NC[C@H]2CCCO2)c2ccccn21 ZINC000306123162 466487724 /nfs/dbraw/zinc/48/77/24/466487724.db2.gz AFYCQXPNYZVRCQ-UKRRQHHQSA-N 1 2 328.416 2.010 40 0 EEABLO C[N@H+]1CCC[C@@H]1c1nc(C(=O)NC[C@H]2CCCO2)c2ccccn21 ZINC000306123162 466487727 /nfs/dbraw/zinc/48/77/27/466487727.db2.gz AFYCQXPNYZVRCQ-UKRRQHHQSA-N 1 2 328.416 2.010 40 0 EEABLO Cc1occc1C(=O)N1Cc2[nH+]cn(C)c2C[C@H]1COCC1CC1 ZINC000585094819 468963030 /nfs/dbraw/zinc/96/30/30/468963030.db2.gz NXRHCYDBAAJKGU-AWEZNQCLSA-N 1 2 329.400 2.315 40 0 EEABLO CC(C)N(C)C(=O)C1=NO[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000585101285 468968620 /nfs/dbraw/zinc/96/86/20/468968620.db2.gz VAURMSJWNCBJNA-GOSISDBHSA-N 1 2 330.432 2.059 40 0 EEABLO CC(C)N(C)C(=O)C1=NO[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000585101285 468968628 /nfs/dbraw/zinc/96/86/28/468968628.db2.gz VAURMSJWNCBJNA-GOSISDBHSA-N 1 2 330.432 2.059 40 0 EEABLO CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000585140577 468988628 /nfs/dbraw/zinc/98/86/28/468988628.db2.gz HDSGCUBUJVOVRE-CYBMUJFWSA-N 1 2 327.306 2.462 40 0 EEABLO COc1ccc(N2C[C@H](n3c[nH+]cc3-c3cnn(C)c3)CC2=O)cc1 ZINC000019719481 202017385 /nfs/dbraw/zinc/01/73/85/202017385.db2.gz ZVCGBQDYXPHOAV-OAHLLOKOSA-N 1 2 337.383 2.270 40 0 EEABLO Cc1cc(C)nc([C@@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257218228 244174553 /nfs/dbraw/zinc/17/45/53/244174553.db2.gz DCIJAESNWBOGIC-SFHVURJKSA-N 1 2 343.427 2.038 40 0 EEABLO Cc1cc(C)nc([C@@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257218228 244174560 /nfs/dbraw/zinc/17/45/60/244174560.db2.gz DCIJAESNWBOGIC-SFHVURJKSA-N 1 2 343.427 2.038 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(Cc3ccc(C)nc3)CC[N@@H+]2C)c1 ZINC000257232184 244216100 /nfs/dbraw/zinc/21/61/00/244216100.db2.gz GJTCSSGMCFLQCZ-LJQANCHMSA-N 1 2 338.455 2.238 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(Cc3ccc(C)nc3)CC[N@H+]2C)c1 ZINC000257232184 244216106 /nfs/dbraw/zinc/21/61/06/244216106.db2.gz GJTCSSGMCFLQCZ-LJQANCHMSA-N 1 2 338.455 2.238 40 0 EEABLO Cc1cc(N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)nc[nH+]1 ZINC000072368998 203209665 /nfs/dbraw/zinc/20/96/65/203209665.db2.gz LBNCMMGQNHRJPQ-OAHLLOKOSA-N 1 2 334.383 2.272 40 0 EEABLO Cc1[nH+]cc(-c2cc(CC3CCN(S(C)(=O)=O)CC3)ccn2)n1C ZINC000257253547 244276379 /nfs/dbraw/zinc/27/63/79/244276379.db2.gz JZIRXOOFMRGOCE-UHFFFAOYSA-N 1 2 348.472 2.005 40 0 EEABLO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cn2)n1 ZINC000257259539 244293566 /nfs/dbraw/zinc/29/35/66/244293566.db2.gz KYVDEQZCNQLXCD-KRWDZBQOSA-N 1 2 345.834 2.498 40 0 EEABLO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cn2)n1 ZINC000257259539 244293570 /nfs/dbraw/zinc/29/35/70/244293570.db2.gz KYVDEQZCNQLXCD-KRWDZBQOSA-N 1 2 345.834 2.498 40 0 EEABLO Cc1ccnn1CCC(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257265097 244359235 /nfs/dbraw/zinc/35/92/35/244359235.db2.gz LXIAZUPONUFVDD-KRWDZBQOSA-N 1 2 341.459 2.449 40 0 EEABLO Cn1nccc1CCC(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257270560 244376611 /nfs/dbraw/zinc/37/66/11/244376611.db2.gz MUSHIFDJHVPGIC-QGZVFWFLSA-N 1 2 335.411 2.333 40 0 EEABLO COc1ccc(OC)c([C@H](C)Nc2nc[nH+]c3c2NC(=O)CN3)c1 ZINC000041121485 204006829 /nfs/dbraw/zinc/00/68/29/204006829.db2.gz OBEBRFNRQARCDF-VIFPVBQESA-N 1 2 329.360 2.031 40 0 EEABLO COc1ccc(OC)c([C@H](C)Nc2[nH+]cnc3c2NC(=O)CN3)c1 ZINC000041121485 204006833 /nfs/dbraw/zinc/00/68/33/204006833.db2.gz OBEBRFNRQARCDF-VIFPVBQESA-N 1 2 329.360 2.031 40 0 EEABLO C[C@H](c1cccc(Cl)c1)N1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000096495473 299635638 /nfs/dbraw/zinc/63/56/38/299635638.db2.gz YBMCPHLJEGHQDP-CJNGLKHVSA-N 1 2 342.892 2.206 40 0 EEABLO CN1c2ccccc2[C@@]2(NC(=[NH2+])N=C3Sc4ccccc4N32)C1=O ZINC000017070613 290321677 /nfs/dbraw/zinc/32/16/77/290321677.db2.gz USQWZGWVCUSVPL-KRWDZBQOSA-N 1 2 335.392 2.112 40 0 EEABLO O=C(c1cn(-c2cc(N3CCCCC3)[nH+]cn2)cn1)N1CCCCC1 ZINC000049411169 462969551 /nfs/dbraw/zinc/96/95/51/462969551.db2.gz RBZMMOPVSKUXNY-UHFFFAOYSA-N 1 2 340.431 2.279 40 0 EEABLO CCOc1ccccc1C(=O)N1CC[NH+](C[C@@H](O)c2ccco2)CC1 ZINC000085436738 462547142 /nfs/dbraw/zinc/54/71/42/462547142.db2.gz VEWQCFCDOPFCIE-MRXNPFEDSA-N 1 2 344.411 2.170 40 0 EEABLO Nc1nc[nH+]c(N)c1NC(=O)c1cccc(C(=O)c2ccccc2)c1 ZINC000001749550 462586668 /nfs/dbraw/zinc/58/66/68/462586668.db2.gz ITUYNMIRASMLFD-UHFFFAOYSA-N 1 2 333.351 2.124 40 0 EEABLO OCCNc1[nH+]c2ccccc2n1C[C@@H](O)c1cc(F)ccc1F ZINC000051092725 463020653 /nfs/dbraw/zinc/02/06/53/463020653.db2.gz GBDVWLCLWDXLRS-MRXNPFEDSA-N 1 2 333.338 2.452 40 0 EEABLO CC(C)COC[C@H]1CN(C(=O)c2cscn2)Cc2[nH+]cn(C)c21 ZINC000096044849 463149469 /nfs/dbraw/zinc/14/94/69/463149469.db2.gz ZZKCOROIXNUWSV-GFCCVEGCSA-N 1 2 334.445 2.289 40 0 EEABLO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2cccs2)CCO3)o1 ZINC000096049188 463153117 /nfs/dbraw/zinc/15/31/17/463153117.db2.gz ZDQUCZMSBIXOFM-MRXNPFEDSA-N 1 2 334.445 2.311 40 0 EEABLO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2cccs2)CCO3)o1 ZINC000096049188 463153124 /nfs/dbraw/zinc/15/31/24/463153124.db2.gz ZDQUCZMSBIXOFM-MRXNPFEDSA-N 1 2 334.445 2.311 40 0 EEABLO COc1ccc(CN2CCn3c(Cn4cncn4)c[nH+]c3[C@@H]2C)cc1 ZINC000096062093 463161264 /nfs/dbraw/zinc/16/12/64/463161264.db2.gz SGOBZPWZSWRWFM-AWEZNQCLSA-N 1 2 338.415 2.108 40 0 EEABLO O=C([O-])[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccoc1)CCC2 ZINC000096064271 463163503 /nfs/dbraw/zinc/16/35/03/463163503.db2.gz HMBSBSBZDSAZDG-LPHOPBHVSA-N 1 2 341.411 2.478 40 0 EEABLO O=C([O-])[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096064271 463163508 /nfs/dbraw/zinc/16/35/08/463163508.db2.gz HMBSBSBZDSAZDG-LPHOPBHVSA-N 1 2 341.411 2.478 40 0 EEABLO c1nnc(NCc2cncc3c2CC[N@H+](Cc2ccccn2)C3)s1 ZINC000096067460 463164441 /nfs/dbraw/zinc/16/44/41/463164441.db2.gz DPYMLEUNDOHSPM-UHFFFAOYSA-N 1 2 338.440 2.499 40 0 EEABLO c1nnc(NCc2cncc3c2CC[N@@H+](Cc2ccccn2)C3)s1 ZINC000096067460 463164445 /nfs/dbraw/zinc/16/44/45/463164445.db2.gz DPYMLEUNDOHSPM-UHFFFAOYSA-N 1 2 338.440 2.499 40 0 EEABLO c1csc(C[N@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187121 463198537 /nfs/dbraw/zinc/19/85/37/463198537.db2.gz VRVWPAYABHZUPK-VYDXJSESSA-N 1 2 331.441 2.487 40 0 EEABLO c1csc(C[N@@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187121 463198542 /nfs/dbraw/zinc/19/85/42/463198542.db2.gz VRVWPAYABHZUPK-VYDXJSESSA-N 1 2 331.441 2.487 40 0 EEABLO O=C1CCCN1C[C@H]1Cn2ccnc2C[N@H+](Cc2ccsc2)C1 ZINC000096188412 463200479 /nfs/dbraw/zinc/20/04/79/463200479.db2.gz JHBGLOUPXRAOGO-OAHLLOKOSA-N 1 2 330.457 2.199 40 0 EEABLO O=C1CCCN1C[C@H]1Cn2ccnc2C[N@@H+](Cc2ccsc2)C1 ZINC000096188412 463200484 /nfs/dbraw/zinc/20/04/84/463200484.db2.gz JHBGLOUPXRAOGO-OAHLLOKOSA-N 1 2 330.457 2.199 40 0 EEABLO O=C1CCCN1C[C@H]1Cn2cc[nH+]c2CN(Cc2ccsc2)C1 ZINC000096188412 463200486 /nfs/dbraw/zinc/20/04/86/463200486.db2.gz JHBGLOUPXRAOGO-OAHLLOKOSA-N 1 2 330.457 2.199 40 0 EEABLO C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CC(c2ccccc2F)=NO1 ZINC000096192680 463201150 /nfs/dbraw/zinc/20/11/50/463201150.db2.gz UDULTCJDYXJAIM-KRWDZBQOSA-N 1 2 330.363 2.112 40 0 EEABLO C[C@@H]1C[NH+]=C(N2CCN(Cc3nc4ccccc4n3C)CC2)S1 ZINC000079509084 463223831 /nfs/dbraw/zinc/22/38/31/463223831.db2.gz FINMXUQBLRIMLQ-CYBMUJFWSA-N 1 2 329.473 2.182 40 0 EEABLO COC(=O)Cn1ncc2c1nc[nH+]c2NCc1cc2ccccc2[nH]1 ZINC000096408657 463241327 /nfs/dbraw/zinc/24/13/27/463241327.db2.gz VQITZXJKXJNQFB-UHFFFAOYSA-N 1 2 336.355 2.093 40 0 EEABLO Cc1n[nH]c(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000096410036 463242855 /nfs/dbraw/zinc/24/28/55/463242855.db2.gz KFVYNYVYLQDVKN-AWEZNQCLSA-N 1 2 345.422 2.315 40 0 EEABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1N(C)C ZINC000096472797 463278800 /nfs/dbraw/zinc/27/88/00/463278800.db2.gz WJCJNAAKNZGXMH-CQSZACIVSA-N 1 2 348.472 2.352 40 0 EEABLO CC(C)CC(=O)N1CC[C@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257284473 463761098 /nfs/dbraw/zinc/76/10/98/463761098.db2.gz PCVXUEMPEDFJBG-AWEZNQCLSA-N 1 2 325.416 2.483 40 0 EEABLO Cc1cncc(C2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)n1 ZINC000257295664 463766919 /nfs/dbraw/zinc/76/69/19/463766919.db2.gz QZISOHLJGLYYDD-UHFFFAOYSA-N 1 2 348.410 2.386 40 0 EEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)COc2ccccc2Cl)[nH+]1 ZINC000257314133 463773698 /nfs/dbraw/zinc/77/36/98/463773698.db2.gz UVLWJDNEDLQYMZ-ZDUSSCGKSA-N 1 2 335.791 2.350 40 0 EEABLO O=C(O[C@@H]([C@H]1CCOC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)nc1 ZINC000195576437 464079942 /nfs/dbraw/zinc/07/99/42/464079942.db2.gz KGCJOTOBVZXVFZ-AAEUAGOBSA-N 1 2 341.289 2.392 40 0 EEABLO O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263913686 464237626 /nfs/dbraw/zinc/23/76/26/464237626.db2.gz NCAWZRPYDLVYDL-QWHCGFSZSA-N 1 2 344.381 2.390 40 0 EEABLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2nccs2)CC1 ZINC000242164655 464456471 /nfs/dbraw/zinc/45/64/71/464456471.db2.gz WWTNAOAFBZDTRG-QLFBSQMISA-N 1 2 336.505 2.349 40 0 EEABLO Fc1cccnc1OC[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000247488595 464685502 /nfs/dbraw/zinc/68/55/02/464685502.db2.gz ASNSTCQCUPZGSN-OAHLLOKOSA-N 1 2 332.379 2.032 40 0 EEABLO Fc1cccnc1OC[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000247488595 464685506 /nfs/dbraw/zinc/68/55/06/464685506.db2.gz ASNSTCQCUPZGSN-OAHLLOKOSA-N 1 2 332.379 2.032 40 0 EEABLO Cc1cc(C)c(N2CC[C@@H]([N@@H+]3CCC4(C3)OCCO4)C2=O)c(C)c1 ZINC000190852663 464732199 /nfs/dbraw/zinc/73/21/99/464732199.db2.gz PQVOYGFNPQTDPQ-MRXNPFEDSA-N 1 2 330.428 2.166 40 0 EEABLO Cc1cc(C)c(N2CC[C@@H]([N@H+]3CCC4(C3)OCCO4)C2=O)c(C)c1 ZINC000190852663 464732206 /nfs/dbraw/zinc/73/22/06/464732206.db2.gz PQVOYGFNPQTDPQ-MRXNPFEDSA-N 1 2 330.428 2.166 40 0 EEABLO C[C@@H](O)CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000192444886 464925455 /nfs/dbraw/zinc/92/54/55/464925455.db2.gz VKXLRMQLOMSLKO-RISCZKNCSA-N 1 2 343.830 2.124 40 0 EEABLO C[C@@H](O)CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000192444886 464925458 /nfs/dbraw/zinc/92/54/58/464925458.db2.gz VKXLRMQLOMSLKO-RISCZKNCSA-N 1 2 343.830 2.124 40 0 EEABLO O=C1N(CC2CCC2)CC[C@]12C[N@@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093073 468962767 /nfs/dbraw/zinc/96/27/67/468962767.db2.gz YDLBKXOMQUCKEC-INIZCTEOSA-N 1 2 338.402 2.270 40 0 EEABLO O=C1N(CC2CCC2)CC[C@]12C[N@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093073 468962769 /nfs/dbraw/zinc/96/27/69/468962769.db2.gz YDLBKXOMQUCKEC-INIZCTEOSA-N 1 2 338.402 2.270 40 0 EEABLO Cc1ccccc1OC[C@@]1(O)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000585276909 469002434 /nfs/dbraw/zinc/00/24/34/469002434.db2.gz PXQHOGCVDXBZAB-LJQANCHMSA-N 1 2 343.427 2.014 40 0 EEABLO C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F)n1cc[nH+]c1 ZINC000068353413 215302696 /nfs/dbraw/zinc/30/26/96/215302696.db2.gz TVZDRUCNDXLFGG-RISCZKNCSA-N 1 2 348.403 2.123 40 0 EEABLO Cc1cc(C)nc(N2CCC[C@H](c3nccnc3-n3cc[nH+]c3)C2)n1 ZINC000072369194 216175864 /nfs/dbraw/zinc/17/58/64/216175864.db2.gz BBGISXUPXSDKTR-HNNXBMFYSA-N 1 2 335.415 2.453 40 0 EEABLO COc1ccc([C@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2ccnnc2)cc1 ZINC000257248018 244259574 /nfs/dbraw/zinc/25/95/74/244259574.db2.gz JBRSCUNCFIJANE-QGZVFWFLSA-N 1 2 349.394 2.387 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OC)C1 ZINC000257256480 244283835 /nfs/dbraw/zinc/28/38/35/244283835.db2.gz KLRJBHWZNXAJOR-HKUYNNGSSA-N 1 2 348.443 2.212 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OC)C1 ZINC000257256480 244283844 /nfs/dbraw/zinc/28/38/44/244283844.db2.gz KLRJBHWZNXAJOR-HKUYNNGSSA-N 1 2 348.443 2.212 40 0 EEABLO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257258405 244290467 /nfs/dbraw/zinc/29/04/67/244290467.db2.gz KTSPDJXVSJHAGG-HNNXBMFYSA-N 1 2 331.441 2.178 40 0 EEABLO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257258405 244290470 /nfs/dbraw/zinc/29/04/70/244290470.db2.gz KTSPDJXVSJHAGG-HNNXBMFYSA-N 1 2 331.441 2.178 40 0 EEABLO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000020104763 212101131 /nfs/dbraw/zinc/10/11/31/212101131.db2.gz LJGDQEBGSWOMIW-UHFFFAOYSA-N 1 2 331.372 2.490 40 0 EEABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(c4ncccn4)C3)n2)n1C ZINC000257275325 244390902 /nfs/dbraw/zinc/39/09/02/244390902.db2.gz NOWFXIDXKVVLMU-OAHLLOKOSA-N 1 2 349.442 2.435 40 0 EEABLO Nc1nccnc1[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257291926 244437108 /nfs/dbraw/zinc/43/71/08/244437108.db2.gz QJGUOXGBXSQKMU-HNNXBMFYSA-N 1 2 336.399 2.022 40 0 EEABLO Nc1nccnc1[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257291926 244437113 /nfs/dbraw/zinc/43/71/13/244437113.db2.gz QJGUOXGBXSQKMU-HNNXBMFYSA-N 1 2 336.399 2.022 40 0 EEABLO CNc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000019753790 212062216 /nfs/dbraw/zinc/06/22/16/212062216.db2.gz MEOMKIJOTHKRSL-AWEZNQCLSA-N 1 2 343.475 2.012 40 0 EEABLO CNc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019753790 212062219 /nfs/dbraw/zinc/06/22/19/212062219.db2.gz MEOMKIJOTHKRSL-AWEZNQCLSA-N 1 2 343.475 2.012 40 0 EEABLO Cc1ccccc1NC(=O)C[NH+]1CC(c2nc(-c3cccnc3)no2)C1 ZINC000049483622 214012815 /nfs/dbraw/zinc/01/28/15/214012815.db2.gz CGYUFZBFBDGWDT-UHFFFAOYSA-N 1 2 349.394 2.478 40 0 EEABLO C[N@H+](CCO)Cc1nc(-c2cccnc2OC2CCCCC2)no1 ZINC000012365421 211357579 /nfs/dbraw/zinc/35/75/79/211357579.db2.gz NIOFBAFNLDSYOL-UHFFFAOYSA-N 1 2 332.404 2.267 40 0 EEABLO C[N@@H+](CCO)Cc1nc(-c2cccnc2OC2CCCCC2)no1 ZINC000012365421 211357583 /nfs/dbraw/zinc/35/75/83/211357583.db2.gz NIOFBAFNLDSYOL-UHFFFAOYSA-N 1 2 332.404 2.267 40 0 EEABLO C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096462594 218844714 /nfs/dbraw/zinc/84/47/14/218844714.db2.gz JPELHHKBEVUSGR-RHSMWYFYSA-N 1 2 349.456 2.422 40 0 EEABLO O=C(CCc1ccccc1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000085473388 462550318 /nfs/dbraw/zinc/55/03/18/462550318.db2.gz WRZGXJIULCIRLW-SFHVURJKSA-N 1 2 348.512 2.286 40 0 EEABLO Fc1ccc2[nH]c3nc(SCC[NH+]4CCOCC4)nnc3c2c1 ZINC000019096724 463013911 /nfs/dbraw/zinc/01/39/11/463013911.db2.gz OPAXECWMCZMIOP-UHFFFAOYSA-N 1 2 333.392 2.070 40 0 EEABLO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1nccs1)CC2 ZINC000096037056 463142525 /nfs/dbraw/zinc/14/25/25/463142525.db2.gz CFFIQGYOTXGCNS-UHFFFAOYSA-N 1 2 331.489 2.475 40 0 EEABLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=O)c1ccco1)CC2 ZINC000096037064 463142654 /nfs/dbraw/zinc/14/26/54/463142654.db2.gz FOMVURWIJWVGGG-UHFFFAOYSA-N 1 2 328.416 2.252 40 0 EEABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000096037064 463142661 /nfs/dbraw/zinc/14/26/61/463142661.db2.gz FOMVURWIJWVGGG-UHFFFAOYSA-N 1 2 328.416 2.252 40 0 EEABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(C(=O)c1ccco1)CC2 ZINC000096037064 463142669 /nfs/dbraw/zinc/14/26/69/463142669.db2.gz FOMVURWIJWVGGG-UHFFFAOYSA-N 1 2 328.416 2.252 40 0 EEABLO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096049111 463152534 /nfs/dbraw/zinc/15/25/34/463152534.db2.gz AYXWRBLSZPEFMI-SFHVURJKSA-N 1 2 330.384 2.380 40 0 EEABLO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096049111 463152539 /nfs/dbraw/zinc/15/25/39/463152539.db2.gz AYXWRBLSZPEFMI-SFHVURJKSA-N 1 2 330.384 2.380 40 0 EEABLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4nnc(C)o4)C3)C2)o1 ZINC000096049197 463153487 /nfs/dbraw/zinc/15/34/87/463153487.db2.gz PEOXCYBNVADRIS-QGZVFWFLSA-N 1 2 332.404 2.151 40 0 EEABLO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4nnc(C)o4)C3)C2)o1 ZINC000096049197 463153491 /nfs/dbraw/zinc/15/34/91/463153491.db2.gz PEOXCYBNVADRIS-QGZVFWFLSA-N 1 2 332.404 2.151 40 0 EEABLO O=C(Cc1ccsc1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188579 463199785 /nfs/dbraw/zinc/19/97/85/463199785.db2.gz VQTKZEIJLZZPFO-HNNXBMFYSA-N 1 2 341.440 2.042 40 0 EEABLO Cc1ncoc1C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CCC2)C1 ZINC000096216116 463213841 /nfs/dbraw/zinc/21/38/41/463213841.db2.gz TWBYPYSQSVOXIG-HNNXBMFYSA-N 1 2 344.415 2.268 40 0 EEABLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)c1nnc2ccccn21 ZINC000096437659 463265843 /nfs/dbraw/zinc/26/58/43/463265843.db2.gz IDWVIRDRPWVGCO-CYBMUJFWSA-N 1 2 341.419 2.142 40 0 EEABLO C[C@@H]1C[NH+](CC(=O)NCCc2nc3ccccc3s2)C[C@@H](C)O1 ZINC000044871492 463696991 /nfs/dbraw/zinc/69/69/91/463696991.db2.gz OHQJSBIAIICKMO-CHWSQXEVSA-N 1 2 333.457 2.064 40 0 EEABLO CCOC1CC(CNC(=O)C2CCCCCC2)([NH+]2CCOCC2)C1 ZINC000195199910 464015989 /nfs/dbraw/zinc/01/59/89/464015989.db2.gz HWNCMWPSOOCPBP-UHFFFAOYSA-N 1 2 338.492 2.343 40 0 EEABLO Cc1[nH+]c2ccccn2c1Cn1ccc(C(=O)OC(C)C)cc1=O ZINC000195562724 464077090 /nfs/dbraw/zinc/07/70/90/464077090.db2.gz ZWESEWBHNUCAAN-UHFFFAOYSA-N 1 2 325.368 2.418 40 0 EEABLO Fc1ccc([C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2ncc[nH]2)cc1 ZINC000188376332 464266294 /nfs/dbraw/zinc/26/62/94/464266294.db2.gz ANDUSRWMLULYOX-CVEARBPZSA-N 1 2 347.390 2.150 40 0 EEABLO CC(C)C[C@@]1(CO)CCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000189930559 464565000 /nfs/dbraw/zinc/56/50/00/464565000.db2.gz VPSFPMDSZATHKE-LJQANCHMSA-N 1 2 344.459 2.459 40 0 EEABLO Cc1cc(NC(=O)N[C@@]2(CO)CCOC2)c[nH+]c1N1CCCC[C@H]1C ZINC000273479671 464717917 /nfs/dbraw/zinc/71/79/17/464717917.db2.gz LBNMQCCUABRIOW-RDTXWAMCSA-N 1 2 348.447 2.042 40 0 EEABLO Cc1cc(-c2cnc3cncn3c2)ccc1OCC[NH+]1CCOCC1 ZINC000585099622 468969295 /nfs/dbraw/zinc/96/92/95/468969295.db2.gz YZNSEUAQVPTXQS-UHFFFAOYSA-N 1 2 338.411 2.416 40 0 EEABLO CCn1cc(CN2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)cn1 ZINC000249681047 536051516 /nfs/dbraw/zinc/05/15/16/536051516.db2.gz BDFRKFQWLLSXHC-QGZVFWFLSA-N 1 2 341.459 2.391 40 0 EEABLO O=C(c1cscn1)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000097953503 219063988 /nfs/dbraw/zinc/06/39/88/219063988.db2.gz YJFCNCAJKAMDNW-ZENOOKHLSA-N 1 2 344.440 2.270 40 0 EEABLO Cc1ccccc1Oc1cncc([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072361863 216168399 /nfs/dbraw/zinc/16/83/99/216168399.db2.gz GCMAWTVQRSZWCS-AWEZNQCLSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1ccccc1Oc1cncc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072361863 216168401 /nfs/dbraw/zinc/16/84/01/216168401.db2.gz GCMAWTVQRSZWCS-AWEZNQCLSA-N 1 2 326.400 2.242 40 0 EEABLO O=c1cc(C2CC[NH+](Cc3ncc[nH]3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392865 216191620 /nfs/dbraw/zinc/19/16/20/216191620.db2.gz QNORNHGZRMYWSB-UHFFFAOYSA-N 1 2 336.399 2.347 40 0 EEABLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000192061633 239476391 /nfs/dbraw/zinc/47/63/91/239476391.db2.gz CIOZFQXCPYEKNL-CZUORRHYSA-N 1 2 335.452 2.119 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000257250057 244265612 /nfs/dbraw/zinc/26/56/12/244265612.db2.gz JKVJSWINWCYHPA-LBPRGKRZSA-N 1 2 339.848 2.456 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000257250057 244265616 /nfs/dbraw/zinc/26/56/16/244265616.db2.gz JKVJSWINWCYHPA-LBPRGKRZSA-N 1 2 339.848 2.456 40 0 EEABLO COCC(=O)N1CCC(c2cc(-c3ccc(N)[nH+]c3)cc(C)n2)CC1 ZINC000019692165 212055669 /nfs/dbraw/zinc/05/56/69/212055669.db2.gz ZKVFOKKKVGJXMA-UHFFFAOYSA-N 1 2 340.427 2.387 40 0 EEABLO O[C@H](C[NH+]1CCN(CC(F)(F)C(F)F)CC1)c1cccc(F)c1 ZINC000079311786 217207575 /nfs/dbraw/zinc/20/75/75/217207575.db2.gz WMKKJORXXKZRLL-CYBMUJFWSA-N 1 2 338.320 2.377 40 0 EEABLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000079353412 217214157 /nfs/dbraw/zinc/21/41/57/217214157.db2.gz GHSNAHWRNYQJMZ-CYBMUJFWSA-N 1 2 345.365 2.256 40 0 EEABLO Nc1c(NCCCn2cnc3ccccc32)[nH+]cnc1-n1cccn1 ZINC000097102965 218954534 /nfs/dbraw/zinc/95/45/34/218954534.db2.gz UAEKJVLCEVHCGY-UHFFFAOYSA-N 1 2 334.387 2.096 40 0 EEABLO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1cccs1 ZINC000056997436 132198335 /nfs/dbraw/zinc/19/83/35/132198335.db2.gz PGNUNSCURUVSTQ-UHFFFAOYSA-N 1 2 333.432 2.439 40 0 EEABLO CCOC[C@@H]1CN(C(=O)c2cc(C)on2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045136 279738065 /nfs/dbraw/zinc/73/80/65/279738065.db2.gz XPZIGSHNAQFMOM-AWEZNQCLSA-N 1 2 344.415 2.366 40 0 EEABLO CC(C)Oc1ccc(C(=O)N2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000062021968 462606913 /nfs/dbraw/zinc/60/69/13/462606913.db2.gz YVMRGXJFWFKJBT-UHFFFAOYSA-N 1 2 342.443 2.128 40 0 EEABLO Cn1cccc1C(=O)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000096040691 463145039 /nfs/dbraw/zinc/14/50/39/463145039.db2.gz LGQUERVONDVJPB-DAYGRLMNSA-N 1 2 340.427 2.152 40 0 EEABLO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)c1 ZINC000096041847 463146721 /nfs/dbraw/zinc/14/67/21/463146721.db2.gz RZSXZUCHJAFTET-IPMKNSEASA-N 1 2 342.443 2.117 40 0 EEABLO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)c1 ZINC000096041847 463146725 /nfs/dbraw/zinc/14/67/25/463146725.db2.gz RZSXZUCHJAFTET-IPMKNSEASA-N 1 2 342.443 2.117 40 0 EEABLO c1cncc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096042208 463147325 /nfs/dbraw/zinc/14/73/25/463147325.db2.gz KTHQSUPJRUFUFT-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO c1cncc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096042208 463147327 /nfs/dbraw/zinc/14/73/27/463147327.db2.gz KTHQSUPJRUFUFT-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO Fc1ccc2nc(CO[C@H]3C[N@H+](C4CCOCC4)C[C@H]3F)[nH]c2c1 ZINC000096112228 463180312 /nfs/dbraw/zinc/18/03/12/463180312.db2.gz WVNWZDUUDWOMEF-CJNGLKHVSA-N 1 2 337.370 2.420 40 0 biogenic,in-vitro EEABLO Fc1ccc2nc(CO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3F)[nH]c2c1 ZINC000096112228 463180314 /nfs/dbraw/zinc/18/03/14/463180314.db2.gz WVNWZDUUDWOMEF-CJNGLKHVSA-N 1 2 337.370 2.420 40 0 biogenic,in-vitro EEABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000096207209 463209799 /nfs/dbraw/zinc/20/97/99/463209799.db2.gz KRZLWHVTYQVLEJ-AWEZNQCLSA-N 1 2 338.411 2.293 40 0 EEABLO Cc1cc(CN2Cc3c[nH+]cn3C[C@H](COc3ccccn3)C2)no1 ZINC000096209184 463212393 /nfs/dbraw/zinc/21/23/93/463212393.db2.gz CNAOMSRVOWPAOK-OAHLLOKOSA-N 1 2 339.399 2.286 40 0 EEABLO O=C(NC[C@H](O)c1ccsc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000096419989 463251692 /nfs/dbraw/zinc/25/16/92/463251692.db2.gz OZNOTWFIUXATKY-KRWDZBQOSA-N 1 2 346.452 2.044 40 0 EEABLO Cc1[nH+]c2ccccn2c1CN1C(=O)N[C@@](C)(c2ccccn2)C1=O ZINC000096424869 463254553 /nfs/dbraw/zinc/25/45/53/463254553.db2.gz UALNDXNGXMBTAF-SFHVURJKSA-N 1 2 335.367 2.005 40 0 EEABLO Cc1nc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc[nH+]1 ZINC000096429301 463258834 /nfs/dbraw/zinc/25/88/34/463258834.db2.gz SLSUNXRDBULHTB-UHFFFAOYSA-N 1 2 346.456 2.298 40 0 EEABLO C[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCO1 ZINC000096459725 463276777 /nfs/dbraw/zinc/27/67/77/463276777.db2.gz BZVQHHHEUBCPCO-MRXNPFEDSA-N 1 2 342.443 2.446 40 0 EEABLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000096461653 463276905 /nfs/dbraw/zinc/27/69/05/463276905.db2.gz LQIJTEYXCAGVIH-INIZCTEOSA-N 1 2 333.476 2.032 40 0 EEABLO Cc1cc(C)n(CCNc2[nH+]cnc3c2cnn3-c2ccccn2)n1 ZINC000041529560 463493955 /nfs/dbraw/zinc/49/39/55/463493955.db2.gz OPOYWAXEWINVEK-UHFFFAOYSA-N 1 2 334.387 2.136 40 0 EEABLO C[C@@H]1SCC[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@@H]1c1ccccc1 ZINC000083199071 463540171 /nfs/dbraw/zinc/54/01/71/463540171.db2.gz IHDVKLHDXWFRFI-WFASDCNBSA-N 1 2 344.488 2.198 40 0 EEABLO C[C@@H]1SCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@@H]1c1ccccc1 ZINC000083199071 463540176 /nfs/dbraw/zinc/54/01/76/463540176.db2.gz IHDVKLHDXWFRFI-WFASDCNBSA-N 1 2 344.488 2.198 40 0 EEABLO CN(C(=O)COc1ccccc1Cl)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257307207 463771948 /nfs/dbraw/zinc/77/19/48/463771948.db2.gz SXQSQFPQQUJCLJ-CKEIUWERSA-N 1 2 349.818 2.138 40 0 EEABLO Cc1noc(C)c1C(=O)N1CCC2(CC(Nc3cc(C)[nH+]cn3)C2)C1 ZINC000257326057 463779352 /nfs/dbraw/zinc/77/93/52/463779352.db2.gz WVPAGNPTKNESOB-UHFFFAOYSA-N 1 2 341.415 2.497 40 0 EEABLO CCCn1cc(C[N@@H+]2CCO[C@H](c3cccc(N(C)C)n3)C2)cn1 ZINC000257341772 463786140 /nfs/dbraw/zinc/78/61/40/463786140.db2.gz ZLXOQVUZXRFJDN-KRWDZBQOSA-N 1 2 329.448 2.328 40 0 EEABLO CCCn1cc(C[N@H+]2CCO[C@H](c3cccc(N(C)C)n3)C2)cn1 ZINC000257341772 463786144 /nfs/dbraw/zinc/78/61/44/463786144.db2.gz ZLXOQVUZXRFJDN-KRWDZBQOSA-N 1 2 329.448 2.328 40 0 EEABLO C[C@H](CNC(=O)CCc1ccc(O)c(Cl)c1)[N@@H+]1CCOC[C@@H]1C ZINC000195556936 464076278 /nfs/dbraw/zinc/07/62/78/464076278.db2.gz VIAOUGNOWVTHMG-OLZOCXBDSA-N 1 2 340.851 2.204 40 0 EEABLO C[C@H](CNC(=O)CCc1ccc(O)c(Cl)c1)[N@H+]1CCOC[C@@H]1C ZINC000195556936 464076284 /nfs/dbraw/zinc/07/62/84/464076284.db2.gz VIAOUGNOWVTHMG-OLZOCXBDSA-N 1 2 340.851 2.204 40 0 EEABLO CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000195563112 464077076 /nfs/dbraw/zinc/07/70/76/464077076.db2.gz YVDAFHKUYLQJIN-MSOLQXFVSA-N 1 2 341.455 2.491 40 0 EEABLO C[N@@H+]1CC[C@H](Nc2ncnc3[nH]cnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000225600740 464174623 /nfs/dbraw/zinc/17/46/23/464174623.db2.gz LRIHMPKQHYTWLD-JSGCOSHPSA-N 1 2 330.342 2.488 40 0 EEABLO C[N@H+]1CC[C@H](Nc2ncnc3[nH]cnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000225600740 464174626 /nfs/dbraw/zinc/17/46/26/464174626.db2.gz LRIHMPKQHYTWLD-JSGCOSHPSA-N 1 2 330.342 2.488 40 0 EEABLO Cn1cncc1C[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC000248036694 464725346 /nfs/dbraw/zinc/72/53/46/464725346.db2.gz MXKPMVVSWDMMLY-YSVLISHTSA-N 1 2 348.472 2.073 40 0 EEABLO Cn1cncc1C[N@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC000248036694 464725356 /nfs/dbraw/zinc/72/53/56/464725356.db2.gz MXKPMVVSWDMMLY-YSVLISHTSA-N 1 2 348.472 2.073 40 0 EEABLO Cn1c[nH+]cc1CN1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC000248036694 464725362 /nfs/dbraw/zinc/72/53/62/464725362.db2.gz MXKPMVVSWDMMLY-YSVLISHTSA-N 1 2 348.472 2.073 40 0 EEABLO Cn1cnc2c1[C@H](C(=O)NCC1CCC1)C[N@H+](Cc1cccs1)C2 ZINC000248077486 464728043 /nfs/dbraw/zinc/72/80/43/464728043.db2.gz ZSONWOQTTXXYAB-OAHLLOKOSA-N 1 2 344.484 2.497 40 0 EEABLO Cn1cnc2c1[C@H](C(=O)NCC1CCC1)C[N@@H+](Cc1cccs1)C2 ZINC000248077486 464728050 /nfs/dbraw/zinc/72/80/50/464728050.db2.gz ZSONWOQTTXXYAB-OAHLLOKOSA-N 1 2 344.484 2.497 40 0 EEABLO Cn1cc(C[N@H+]2Cc3cccn3[C@@H](COCc3ccccn3)C2)cn1 ZINC000306131602 466491579 /nfs/dbraw/zinc/49/15/79/466491579.db2.gz KJRFPZOVICIZEA-LJQANCHMSA-N 1 2 337.427 2.390 40 0 EEABLO Cn1cc(C[N@@H+]2Cc3cccn3[C@@H](COCc3ccccn3)C2)cn1 ZINC000306131602 466491584 /nfs/dbraw/zinc/49/15/84/466491584.db2.gz KJRFPZOVICIZEA-LJQANCHMSA-N 1 2 337.427 2.390 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)s1 ZINC000585110928 468975144 /nfs/dbraw/zinc/97/51/44/468975144.db2.gz ZWUAHZSFQVPCFA-AWEZNQCLSA-N 1 2 330.457 2.122 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)s1 ZINC000585110928 468975147 /nfs/dbraw/zinc/97/51/47/468975147.db2.gz ZWUAHZSFQVPCFA-AWEZNQCLSA-N 1 2 330.457 2.122 40 0 EEABLO CO[C@@]1(COc2ccc(C)cc2)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585275740 469000696 /nfs/dbraw/zinc/00/06/96/469000696.db2.gz DUYXUCUZRMZLNB-IBGZPJMESA-N 1 2 343.427 2.347 40 0 EEABLO COc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257287857 536868036 /nfs/dbraw/zinc/86/80/36/536868036.db2.gz PRTKTWJYZLUXHN-ZDUSSCGKSA-N 1 2 335.429 2.295 40 0 EEABLO Cc1cc(C)nc(N2CCC[C@@H](c3nccnc3-n3cc[nH+]c3)C2)n1 ZINC000072369195 216176210 /nfs/dbraw/zinc/17/62/10/216176210.db2.gz BBGISXUPXSDKTR-OAHLLOKOSA-N 1 2 335.415 2.453 40 0 EEABLO c1c[nH+]c(CN2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)[nH]1 ZINC000072378057 216178892 /nfs/dbraw/zinc/17/88/92/216178892.db2.gz IGFZVQHRUZDPID-AWEZNQCLSA-N 1 2 336.403 2.461 40 0 EEABLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCSc3ccccc3)C[C@@H]21 ZINC000241739160 243000571 /nfs/dbraw/zinc/00/05/71/243000571.db2.gz RANALQKAYCCWGF-DLBZAZTESA-N 1 2 349.500 2.283 40 0 EEABLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCSc3ccccc3)C[C@@H]21 ZINC000241739160 243000580 /nfs/dbraw/zinc/00/05/80/243000580.db2.gz RANALQKAYCCWGF-DLBZAZTESA-N 1 2 349.500 2.283 40 0 EEABLO c1cncc(C[NH+]2CC3(C2)C[C@H](CCOc2cnccn2)CCO3)c1 ZINC000253602911 244034389 /nfs/dbraw/zinc/03/43/89/244034389.db2.gz TVHRPOJLFSJRKX-MRXNPFEDSA-N 1 2 340.427 2.322 40 0 EEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257222156 244188722 /nfs/dbraw/zinc/18/87/22/244188722.db2.gz DSDXPHAGFBRDJB-CQSZACIVSA-N 1 2 327.384 2.129 40 0 EEABLO C[C@]1(C(=O)N2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)CCCO1 ZINC000019461221 212031397 /nfs/dbraw/zinc/03/13/97/212031397.db2.gz RJRVSTKNYNCLAU-DNVCBOLYSA-N 1 2 330.428 2.018 40 0 EEABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCOC)C1 ZINC000012145827 211305827 /nfs/dbraw/zinc/30/58/27/211305827.db2.gz IPHGQDYUTYFMAQ-CQSZACIVSA-N 1 2 330.432 2.035 40 0 EEABLO NC(=O)[C@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CCO1 ZINC000092735748 218163698 /nfs/dbraw/zinc/16/36/98/218163698.db2.gz FXQAGYVJMGZOPV-GOSISDBHSA-N 1 2 344.386 2.091 40 0 EEABLO NC(=O)[C@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CCO1 ZINC000092735748 218163700 /nfs/dbraw/zinc/16/37/00/218163700.db2.gz FXQAGYVJMGZOPV-GOSISDBHSA-N 1 2 344.386 2.091 40 0 EEABLO Cc1cnc([C@@H](C)NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)s1 ZINC000097376479 219018800 /nfs/dbraw/zinc/01/88/00/219018800.db2.gz HPFQWXDGZJKUMB-GFCCVEGCSA-N 1 2 346.460 2.143 40 0 EEABLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000055562698 132196042 /nfs/dbraw/zinc/19/60/42/132196042.db2.gz WSZGQWODUQPPNN-HDMKZQKVSA-N 1 2 331.435 2.253 40 0 EEABLO CN(C)COC(=S)SCCSC(=S)OC[NH+](C)C ZINC000001868633 462587265 /nfs/dbraw/zinc/58/72/65/462587265.db2.gz UTUOVVYAJZWTCV-UHFFFAOYSA-N 1 2 328.550 2.094 40 0 EEABLO Cc1cccc(O[C@H](C)C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)c1 ZINC000065757453 462824101 /nfs/dbraw/zinc/82/41/01/462824101.db2.gz FIPWFFSMGWQAOQ-CYBMUJFWSA-N 1 2 346.431 2.258 40 0 EEABLO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccccn2)c1 ZINC000096041845 463146561 /nfs/dbraw/zinc/14/65/61/463146561.db2.gz SNPLIWJXDRTWGU-IPMKNSEASA-N 1 2 342.443 2.117 40 0 EEABLO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccccn2)c1 ZINC000096041845 463146567 /nfs/dbraw/zinc/14/65/67/463146567.db2.gz SNPLIWJXDRTWGU-IPMKNSEASA-N 1 2 342.443 2.117 40 0 EEABLO COC[C@H]1CN(C(=O)c2cccnc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045077 463149390 /nfs/dbraw/zinc/14/93/90/463149390.db2.gz WCWUGUZWVHTBCP-OAHLLOKOSA-N 1 2 326.400 2.074 40 0 EEABLO CCOC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 ZINC000096060474 463160377 /nfs/dbraw/zinc/16/03/77/463160377.db2.gz HEYGHOZINVIHHQ-INIZCTEOSA-N 1 2 329.448 2.163 40 0 EEABLO CCOC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 ZINC000096060474 463160383 /nfs/dbraw/zinc/16/03/83/463160383.db2.gz HEYGHOZINVIHHQ-INIZCTEOSA-N 1 2 329.448 2.163 40 0 EEABLO CC[NH+]1CCN(C(=O)c2nnn(Cc3ccc(C)cc3)c2Cl)CC1 ZINC000096183528 463195835 /nfs/dbraw/zinc/19/58/35/463195835.db2.gz MIBRHZACPPTLKD-UHFFFAOYSA-N 1 2 347.850 2.066 40 0 EEABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000096430600 463260204 /nfs/dbraw/zinc/26/02/04/463260204.db2.gz WMKXZGXOQQRTGE-GFUIURDCSA-N 1 2 337.489 2.291 40 0 EEABLO Cc1nn(C)c(C)c1[C@H](C)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000096439520 463266189 /nfs/dbraw/zinc/26/61/89/463266189.db2.gz DHMOLAXJURHIKK-LBPRGKRZSA-N 1 2 332.452 2.450 40 0 EEABLO Cn1cc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cn1 ZINC000096475156 463279849 /nfs/dbraw/zinc/27/98/49/463279849.db2.gz CHRWTSZIUIGORI-UHFFFAOYSA-N 1 2 328.397 2.211 40 0 EEABLO O=C1[C@@H]([N@@H+]2CCC3(C2)OCCO3)CCN1c1ccc(Cl)c(F)c1 ZINC000096486789 463284949 /nfs/dbraw/zinc/28/49/49/463284949.db2.gz YOTRNCZPZAUPTJ-AWEZNQCLSA-N 1 2 340.782 2.033 40 0 EEABLO O=C1[C@@H]([N@H+]2CCC3(C2)OCCO3)CCN1c1ccc(Cl)c(F)c1 ZINC000096486789 463284956 /nfs/dbraw/zinc/28/49/56/463284956.db2.gz YOTRNCZPZAUPTJ-AWEZNQCLSA-N 1 2 340.782 2.033 40 0 EEABLO Cc1csc(C[N@@H+]2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)n1 ZINC000108527651 463610378 /nfs/dbraw/zinc/61/03/78/463610378.db2.gz QMJKQZCQMYVOOG-IRXDYDNUSA-N 1 2 344.484 2.322 40 0 EEABLO Cc1csc(C[N@H+]2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)n1 ZINC000108527651 463610383 /nfs/dbraw/zinc/61/03/83/463610383.db2.gz QMJKQZCQMYVOOG-IRXDYDNUSA-N 1 2 344.484 2.322 40 0 EEABLO CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257280162 463760009 /nfs/dbraw/zinc/76/00/09/463760009.db2.gz OJSXPBQBEYHVKG-GOSISDBHSA-N 1 2 329.444 2.182 40 0 EEABLO CNc1cc([C@@H]2CCCN(C(=O)COc3cccnc3)C2)cc[nH+]1 ZINC000257296891 463767783 /nfs/dbraw/zinc/76/77/83/463767783.db2.gz REWQBRJGGAMLFK-OAHLLOKOSA-N 1 2 326.400 2.303 40 0 EEABLO Cc1nc(C)c(CC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000257302741 463768805 /nfs/dbraw/zinc/76/88/05/463768805.db2.gz SECXWRPFORQGDD-CQSZACIVSA-N 1 2 330.457 2.483 40 0 EEABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2cnccn2)c1 ZINC000257305722 463770110 /nfs/dbraw/zinc/77/01/10/463770110.db2.gz SRENMCOGYLATMZ-MRXNPFEDSA-N 1 2 335.367 2.079 40 0 EEABLO CNc1cc([C@H]2CCCN2C(=O)CCc2cnn(C)c2C)cc[nH+]1 ZINC000257334014 463782781 /nfs/dbraw/zinc/78/27/81/463782781.db2.gz YEDKMVKVAZRYLH-MRXNPFEDSA-N 1 2 327.432 2.462 40 0 EEABLO CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000195563125 464076982 /nfs/dbraw/zinc/07/69/82/464076982.db2.gz RVPHDZDELWQOQM-HKUYNNGSSA-N 1 2 341.455 2.491 40 0 EEABLO CCS(=O)(=O)c1ccccc1N1C[C@@H](C)[NH+](CCOC)[C@H](C)C1 ZINC000195576251 464079928 /nfs/dbraw/zinc/07/99/28/464079928.db2.gz HUZFOVAWLIRICN-HUUCEWRRSA-N 1 2 340.489 2.026 40 0 EEABLO Cn1ncc2c1nc(N1CC[C@@H](Cc3ccc(F)c(F)c3)C1)[nH+]c2N ZINC000225515136 464167354 /nfs/dbraw/zinc/16/73/54/464167354.db2.gz VFEGMESLRSERIM-NSHDSACASA-N 1 2 344.369 2.293 40 0 EEABLO Cc1nc(CN2CCCN(c3nc[nH+]c(N)c3Cl)CC2)cs1 ZINC000241588142 464453793 /nfs/dbraw/zinc/45/37/93/464453793.db2.gz OZZRTFRQAYGRFQ-UHFFFAOYSA-N 1 2 338.868 2.189 40 0 EEABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2cccnc2)cn1 ZINC000249681116 464903305 /nfs/dbraw/zinc/90/33/05/464903305.db2.gz BHRFFUDPCLXLOS-QGZVFWFLSA-N 1 2 342.443 2.358 40 0 EEABLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@@H]21 ZINC000253418306 465006193 /nfs/dbraw/zinc/00/61/93/465006193.db2.gz GEIQWNFGFPQSCJ-QWRGUYRKSA-N 1 2 344.337 2.037 40 0 EEABLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@@H]21 ZINC000253418306 465006199 /nfs/dbraw/zinc/00/61/99/465006199.db2.gz GEIQWNFGFPQSCJ-QWRGUYRKSA-N 1 2 344.337 2.037 40 0 EEABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2nccc(C)n2)CCO3)o1 ZINC000253478517 465015928 /nfs/dbraw/zinc/01/59/28/465015928.db2.gz LMLSZJXHLQNXPU-OAHLLOKOSA-N 1 2 329.400 2.499 40 0 EEABLO Cc1nnc2c3ccccc3c(NCc3ccc[nH+]c3N(C)C)nn12 ZINC000330033385 465512095 /nfs/dbraw/zinc/51/20/95/465512095.db2.gz ZUZRJCLUQCRUAA-UHFFFAOYSA-N 1 2 333.399 2.659 40 0 EEABLO CC(C)n1cc[nH+]c1CN1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585269244 468997785 /nfs/dbraw/zinc/99/77/85/468997785.db2.gz MTMTWOMGXIEXIC-IBGZPJMESA-N 1 2 329.444 2.270 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585276668 469001732 /nfs/dbraw/zinc/00/17/32/469001732.db2.gz OQSWOAUWPNJQBO-SJLPKXTDSA-N 1 2 345.418 2.255 40 0 EEABLO CNc1ncc(C[N@@H+]2CCC[C@]2(C)c2nc(C)cc(N(C)C)n2)cn1 ZINC000257200572 536423663 /nfs/dbraw/zinc/42/36/63/536423663.db2.gz ADVUBCYMWGHWHG-GOSISDBHSA-N 1 2 341.463 2.194 40 0 EEABLO CNc1ncc(C[N@H+]2CCC[C@]2(C)c2nc(C)cc(N(C)C)n2)cn1 ZINC000257200572 536423669 /nfs/dbraw/zinc/42/36/69/536423669.db2.gz ADVUBCYMWGHWHG-GOSISDBHSA-N 1 2 341.463 2.194 40 0 EEABLO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(Cl)cc1Cl ZINC000101370776 219125179 /nfs/dbraw/zinc/12/51/79/219125179.db2.gz 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/nfs/dbraw/zinc/03/22/34/242032234.db2.gz NZWQVXBLGHYKHU-UHFFFAOYSA-N 1 2 342.468 2.400 40 0 EEABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC(c2cnccn2)CC1 ZINC000257224287 244194930 /nfs/dbraw/zinc/19/49/30/244194930.db2.gz FBDQFYWDWFQNOH-UHFFFAOYSA-N 1 2 334.383 2.077 40 0 EEABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)cc[nH+]1 ZINC000257263603 244356289 /nfs/dbraw/zinc/35/62/89/244356289.db2.gz LQSCEODUDNSQDP-AWEZNQCLSA-N 1 2 336.399 2.414 40 0 EEABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1ccsc1 ZINC000257293891 244442150 /nfs/dbraw/zinc/44/21/50/244442150.db2.gz QRQBEBSFZBVILX-KRWDZBQOSA-N 1 2 331.441 2.247 40 0 EEABLO COc1c(Br)c(C)sc1C(=O)NCCn1cc[nH+]c1 ZINC000079543354 217239294 /nfs/dbraw/zinc/23/92/94/217239294.db2.gz CLXSTHNPUOPPLN-UHFFFAOYSA-N 1 2 344.234 2.454 40 0 EEABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)Nc1nccs1 ZINC000012114421 211292946 /nfs/dbraw/zinc/29/29/46/211292946.db2.gz GESKDNYLFFDQMJ-HBBFGDNQSA-N 1 2 333.413 2.189 40 0 EEABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)Nc1nccs1 ZINC000012114421 211292950 /nfs/dbraw/zinc/29/29/50/211292950.db2.gz GESKDNYLFFDQMJ-HBBFGDNQSA-N 1 2 333.413 2.189 40 0 EEABLO CC(=O)Nc1cccc(-n2cnnc2SCCn2cc[nH+]c2)c1 ZINC000095435769 218378163 /nfs/dbraw/zinc/37/81/63/218378163.db2.gz MWVSVZMEUFTGDM-UHFFFAOYSA-N 1 2 328.401 2.215 40 0 EEABLO Nc1nc(N2CCC(OC[C@H]3CCCO3)CC2)[nH+]c2ccccc12 ZINC000096486674 218863110 /nfs/dbraw/zinc/86/31/10/218863110.db2.gz XUOPHZDROMTRTJ-CQSZACIVSA-N 1 2 328.416 2.376 40 0 EEABLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000097377004 219018909 /nfs/dbraw/zinc/01/89/09/219018909.db2.gz HEDQVRBJFVDDRP-UHFFFAOYSA-N 1 2 335.395 2.306 40 0 EEABLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000097377004 219018911 /nfs/dbraw/zinc/01/89/11/219018911.db2.gz HEDQVRBJFVDDRP-UHFFFAOYSA-N 1 2 335.395 2.306 40 0 EEABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](Cc1ccc(F)cc1)CC3 ZINC000100769169 292024003 /nfs/dbraw/zinc/02/40/03/292024003.db2.gz 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O=C(NC1CCCC1)[C@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096041165 463146403 /nfs/dbraw/zinc/14/64/03/463146403.db2.gz MPSAAZCUSFRURR-SOUVJXGZSA-N 1 2 335.473 2.039 40 0 EEABLO COC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nnn(CC3CC3)c21 ZINC000096060893 463161853 /nfs/dbraw/zinc/16/18/53/463161853.db2.gz VQETYOFQXZMAFO-MRXNPFEDSA-N 1 2 342.443 2.443 40 0 EEABLO COC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nnn(CC3CC3)c21 ZINC000096060893 463161860 /nfs/dbraw/zinc/16/18/60/463161860.db2.gz VQETYOFQXZMAFO-MRXNPFEDSA-N 1 2 342.443 2.443 40 0 EEABLO Cc1cc(C[N@@H+]2CC[C@H]3C(=O)N(c4ccsc4)CCO[C@H]3C2)no1 ZINC000096107144 463175498 /nfs/dbraw/zinc/17/54/98/463175498.db2.gz VBKQLEOIYQCAIZ-CVEARBPZSA-N 1 2 347.440 2.298 40 0 EEABLO Cc1cc(C[N@H+]2CC[C@H]3C(=O)N(c4ccsc4)CCO[C@H]3C2)no1 ZINC000096107144 463175504 /nfs/dbraw/zinc/17/55/04/463175504.db2.gz VBKQLEOIYQCAIZ-CVEARBPZSA-N 1 2 347.440 2.298 40 0 EEABLO C[C@@H](Oc1ccccc1)C(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C ZINC000096121400 463182055 /nfs/dbraw/zinc/18/20/55/463182055.db2.gz DITPMHGYCRDBGQ-GFCCVEGCSA-N 1 2 329.404 2.015 40 0 EEABLO O=C(c1cccs1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188568 463200089 /nfs/dbraw/zinc/20/00/89/463200089.db2.gz ZSIWIRIHFXVVFY-ZDUSSCGKSA-N 1 2 327.413 2.114 40 0 EEABLO Cc1ccc(C(=O)N2CCn3cc(CNc4cccc[nH+]4)nc3C2)cn1 ZINC000096197511 463202496 /nfs/dbraw/zinc/20/24/96/463202496.db2.gz APYQRZMDUMCQRB-UHFFFAOYSA-N 1 2 348.410 2.250 40 0 EEABLO Cc1ccc(N2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)C2=O)cc1 ZINC000096425877 463255055 /nfs/dbraw/zinc/25/50/55/463255055.db2.gz INGIEAVCXCDFDM-QGZVFWFLSA-N 1 2 340.427 2.284 40 0 EEABLO CC(C)Cn1ncnc1C[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000096497120 463290476 /nfs/dbraw/zinc/29/04/76/463290476.db2.gz DKUWZRDBCLIXKL-UHFFFAOYSA-N 1 2 342.447 2.180 40 0 EEABLO Cn1ncc(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)c1N ZINC000097375288 463356559 /nfs/dbraw/zinc/35/65/59/463356559.db2.gz WTENDNJBNPGWLD-UHFFFAOYSA-N 1 2 336.399 2.454 40 0 EEABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](Cc2cccc(C)[nH+]2)C1 ZINC000257338182 463784449 /nfs/dbraw/zinc/78/44/49/463784449.db2.gz YWINOUMUMHDNEH-HNNXBMFYSA-N 1 2 325.478 2.231 40 0 EEABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2cnc(C)cn2)cc1 ZINC000257343300 463787289 /nfs/dbraw/zinc/78/72/89/463787289.db2.gz ZSIGMTSRMIZTFD-KRWDZBQOSA-N 1 2 349.394 2.387 40 0 EEABLO CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)cn1 ZINC000225520666 464167397 /nfs/dbraw/zinc/16/73/97/464167397.db2.gz WQWDEGRCNYYUIQ-HNNXBMFYSA-N 1 2 341.459 2.381 40 0 EEABLO CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)cn1 ZINC000225520666 464167402 /nfs/dbraw/zinc/16/74/02/464167402.db2.gz WQWDEGRCNYYUIQ-HNNXBMFYSA-N 1 2 341.459 2.381 40 0 EEABLO c1cnc(OCC[C@@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)cn1 ZINC000247860465 464710675 /nfs/dbraw/zinc/71/06/75/464710675.db2.gz ZZJIZHZRPZRAEA-MRXNPFEDSA-N 1 2 340.427 2.322 40 0 EEABLO c1cncc(COC[C@@H]2CCOC23C[NH+](Cc2cccnc2)C3)c1 ZINC000247889660 464713688 /nfs/dbraw/zinc/71/36/88/464713688.db2.gz SRFYAVDQNXZPTB-SFHVURJKSA-N 1 2 325.412 2.284 40 0 EEABLO COc1ccnc(N2CCC(C(=O)Nc3ccc(C)[nH+]c3C)CC2)n1 ZINC000176297239 464742410 /nfs/dbraw/zinc/74/24/10/464742410.db2.gz HSBKQRQZILBWJD-UHFFFAOYSA-N 1 2 341.415 2.352 40 0 EEABLO O=C(CC1CC1)NC[C@H]1Cn2nccc2C[N@H+](Cc2ccoc2)C1 ZINC000306132848 466492389 /nfs/dbraw/zinc/49/23/89/466492389.db2.gz LUEKMTXTYJSTCH-MRXNPFEDSA-N 1 2 328.416 2.024 40 0 EEABLO O=C(CC1CC1)NC[C@H]1Cn2nccc2C[N@@H+](Cc2ccoc2)C1 ZINC000306132848 466492397 /nfs/dbraw/zinc/49/23/97/466492397.db2.gz LUEKMTXTYJSTCH-MRXNPFEDSA-N 1 2 328.416 2.024 40 0 EEABLO CCOCCc1c[nH+]c2n1CCN(Cc1cccnc1OC)[C@@H]2C ZINC000585096862 468964725 /nfs/dbraw/zinc/96/47/25/468964725.db2.gz BRNVQXCKMPDGRR-CQSZACIVSA-N 1 2 330.432 2.443 40 0 EEABLO CCOC[C@H]1CCS(=O)(=O)C12C[NH+](Cc1cc(C)cc(C)c1)C2 ZINC000585103481 468970775 /nfs/dbraw/zinc/97/07/75/468970775.db2.gz PESNAYJKTCNYEG-QGZVFWFLSA-N 1 2 337.485 2.329 40 0 EEABLO Cn1cnc2c1[C@@H](C(=O)NC1CCC1)C[N@H+](Cc1cccs1)C2 ZINC000585110893 468973516 /nfs/dbraw/zinc/97/35/16/468973516.db2.gz VHCKSTBIDXDQLM-AWEZNQCLSA-N 1 2 330.457 2.250 40 0 EEABLO Cn1cnc2c1[C@@H](C(=O)NC1CCC1)C[N@@H+](Cc1cccs1)C2 ZINC000585110893 468973522 /nfs/dbraw/zinc/97/35/22/468973522.db2.gz VHCKSTBIDXDQLM-AWEZNQCLSA-N 1 2 330.457 2.250 40 0 EEABLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3n2C)CC1 ZINC000039640175 213241101 /nfs/dbraw/zinc/24/11/01/213241101.db2.gz HFFCMWWOOFNRNX-CYBMUJFWSA-N 1 2 332.473 2.218 40 0 EEABLO Cc1cncc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 ZINC000189783986 237247595 /nfs/dbraw/zinc/24/75/95/237247595.db2.gz ISCAVOPAYSUFTQ-UHFFFAOYSA-N 1 2 343.402 2.252 40 0 EEABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)COC)C2)n1 ZINC000072378911 216180383 /nfs/dbraw/zinc/18/03/83/216180383.db2.gz OJOBRAIHFNKRIB-CQSZACIVSA-N 1 2 328.416 2.182 40 0 EEABLO c1ccc(N2CCC[C@H](Cc3ccc(N4CCOCC4)nn3)C2)[nH+]c1 ZINC000072387269 216186937 /nfs/dbraw/zinc/18/69/37/216186937.db2.gz 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244207836 /nfs/dbraw/zinc/20/78/36/244207836.db2.gz FWWHIDQSYZSFBR-MRXNPFEDSA-N 1 2 326.400 2.203 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)Cc2c(C)noc2C)CC[N@@H+]1C ZINC000257232759 244221145 /nfs/dbraw/zinc/22/11/45/244221145.db2.gz GMGRMMSATMRMPT-QGZVFWFLSA-N 1 2 343.427 2.358 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)Cc2c(C)noc2C)CC[N@H+]1C ZINC000257232759 244221151 /nfs/dbraw/zinc/22/11/51/244221151.db2.gz GMGRMMSATMRMPT-QGZVFWFLSA-N 1 2 343.427 2.358 40 0 EEABLO CNC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257250115 244265087 /nfs/dbraw/zinc/26/50/87/244265087.db2.gz JLCBNHZAXDPATI-CYBMUJFWSA-N 1 2 344.390 2.333 40 0 EEABLO CNC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257250115 244265090 /nfs/dbraw/zinc/26/50/90/244265090.db2.gz JLCBNHZAXDPATI-CYBMUJFWSA-N 1 2 344.390 2.333 40 0 EEABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)C2CCOCC2)c1 ZINC000257249608 244266789 /nfs/dbraw/zinc/26/67/89/244266789.db2.gz JJBHEFJCKSGYEK-KRWDZBQOSA-N 1 2 341.411 2.402 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OC)C1 ZINC000257256482 244284666 /nfs/dbraw/zinc/28/46/66/244284666.db2.gz KLRJBHWZNXAJOR-MJGOQNOKSA-N 1 2 348.443 2.212 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@H](OC)C1 ZINC000257256482 244284672 /nfs/dbraw/zinc/28/46/72/244284672.db2.gz KLRJBHWZNXAJOR-MJGOQNOKSA-N 1 2 348.443 2.212 40 0 EEABLO Cc1c(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cnn1C ZINC000078917091 217147854 /nfs/dbraw/zinc/14/78/54/217147854.db2.gz GUFQJQWJENHTGN-ZDUSSCGKSA-N 1 2 348.397 2.401 40 0 EEABLO Cc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cnn1C ZINC000078917091 217147856 /nfs/dbraw/zinc/14/78/56/217147856.db2.gz GUFQJQWJENHTGN-ZDUSSCGKSA-N 1 2 348.397 2.401 40 0 EEABLO O=C(C[N@@H+](Cc1cccnc1)C[C@@H]1CCCO1)Nc1cccnc1 ZINC000079099718 217193594 /nfs/dbraw/zinc/19/35/94/217193594.db2.gz LDUWCOZVEJFLNS-KRWDZBQOSA-N 1 2 326.400 2.096 40 0 EEABLO O=C(C[N@H+](Cc1cccnc1)C[C@@H]1CCCO1)Nc1cccnc1 ZINC000079099718 217193595 /nfs/dbraw/zinc/19/35/95/217193595.db2.gz LDUWCOZVEJFLNS-KRWDZBQOSA-N 1 2 326.400 2.096 40 0 EEABLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000080114177 217280535 /nfs/dbraw/zinc/28/05/35/217280535.db2.gz ZAYSPVZMZGOEAH-CYBMUJFWSA-N 1 2 333.823 2.152 40 0 EEABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCOC)CC1 ZINC000012116377 211295446 /nfs/dbraw/zinc/29/54/46/211295446.db2.gz GDUUTSFEAOAHHE-UHFFFAOYSA-N 1 2 330.432 2.035 40 0 EEABLO Cc1c(CNC(=O)NCc2ccc[nH+]c2N2CCCCC2)cnn1C ZINC000095442690 218386806 /nfs/dbraw/zinc/38/68/06/218386806.db2.gz NHONQNUVVYUAJY-UHFFFAOYSA-N 1 2 342.447 2.113 40 0 EEABLO Cc1ccc(CN2Cc3[nH+]ccn3C[C@@H](CN3CCCC3=O)C2)o1 ZINC000096188417 218656217 /nfs/dbraw/zinc/65/62/17/218656217.db2.gz HHWOSNCUXPVQCN-HNNXBMFYSA-N 1 2 328.416 2.039 40 0 EEABLO O=C(c1ccoc1)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202255 218676451 /nfs/dbraw/zinc/67/64/51/218676451.db2.gz DKVAFLXJHPOILF-GOSISDBHSA-N 1 2 327.384 2.044 40 0 EEABLO COc1ccc([C@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)cc1OC ZINC000095533814 257700667 /nfs/dbraw/zinc/70/06/67/257700667.db2.gz FKTRBKPVUWZLRT-HNNXBMFYSA-N 1 2 326.356 2.243 40 0 EEABLO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2c2cc(C)[nH+]cn2)n1 ZINC000257261612 301337123 /nfs/dbraw/zinc/33/71/23/301337123.db2.gz LIBYBCBNINWHQK-SFHVURJKSA-N 1 2 340.431 2.101 40 0 EEABLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)N1CCCCCC1 ZINC000192243544 323478121 /nfs/dbraw/zinc/47/81/21/323478121.db2.gz DHLRCHJCTZRLBC-UHFFFAOYSA-N 1 2 342.509 2.278 40 0 EEABLO Cc1ccc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3[C@@H]2C)o1 ZINC000096062066 463161134 /nfs/dbraw/zinc/16/11/34/463161134.db2.gz FSTWHVFQXAOODL-ZDUSSCGKSA-N 1 2 325.372 2.246 40 0 EEABLO O=C(C1CCC1)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096188000 463200575 /nfs/dbraw/zinc/20/05/75/463200575.db2.gz KEHUYKNWHLWVCY-CQSZACIVSA-N 1 2 326.400 2.116 40 0 EEABLO Cc1cccc(C[N@@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)n1 ZINC000096226790 463220887 /nfs/dbraw/zinc/22/08/87/463220887.db2.gz QUSIRBICXBEPMR-LJQANCHMSA-N 1 2 331.460 2.239 40 0 EEABLO Cc1cccc(C[N@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)n1 ZINC000096226790 463220890 /nfs/dbraw/zinc/22/08/90/463220890.db2.gz QUSIRBICXBEPMR-LJQANCHMSA-N 1 2 331.460 2.239 40 0 EEABLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000096426514 463255812 /nfs/dbraw/zinc/25/58/12/463255812.db2.gz ZWIYOKRVUCYAGV-JKSUJKDBSA-N 1 2 341.411 2.354 40 0 EEABLO Cc1cccc2[nH+]c(CSc3nnc([C@H]4CCCCO4)n3N)cn21 ZINC000096436688 463265091 /nfs/dbraw/zinc/26/50/91/463265091.db2.gz XTRGWHRLIZMYPY-CYBMUJFWSA-N 1 2 344.444 2.482 40 0 EEABLO O=C1[C@@H]([NH2+][C@@H]2CCCn3ncnc32)CCN1c1ccc(F)c(Cl)c1 ZINC000096494475 463289260 /nfs/dbraw/zinc/28/92/60/463289260.db2.gz VIDAUSCPBJZNTQ-KGLIPLIRSA-N 1 2 349.797 2.301 40 0 EEABLO Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000069673940 463300586 /nfs/dbraw/zinc/30/05/86/463300586.db2.gz ZHMBAXGOCQZLTK-UHFFFAOYSA-N 1 2 331.397 2.318 40 0 EEABLO C[NH+]1CCN(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000097023699 463305592 /nfs/dbraw/zinc/30/55/92/463305592.db2.gz JPYMVTCXHDCCEE-UHFFFAOYSA-N 1 2 335.404 2.347 40 0 EEABLO O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@@H](O)c1ccccc1 ZINC000083006303 463528145 /nfs/dbraw/zinc/52/81/45/463528145.db2.gz MHXUZOJTMLIPRD-IBGZPJMESA-N 1 2 335.407 2.476 40 0 EEABLO CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000257247033 463757715 /nfs/dbraw/zinc/75/77/15/463757715.db2.gz IXCKMRXRCZKHPT-KRWDZBQOSA-N 1 2 338.455 2.465 40 0 EEABLO Cc1c(CCC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)cnn1C ZINC000257319994 463776621 /nfs/dbraw/zinc/77/66/21/463776621.db2.gz VUXOHYKHBGPRGC-KRWDZBQOSA-N 1 2 341.459 2.184 40 0 EEABLO Cc1nc([C@H]2C[N@H+](CCOc3ccc(F)cc3)CCO2)cc(=O)[nH]1 ZINC000257321304 463776724 /nfs/dbraw/zinc/77/67/24/463776724.db2.gz WBBKNCXRKKTPPX-MRXNPFEDSA-N 1 2 333.363 2.082 40 0 EEABLO Cc1nc([C@H]2C[N@@H+](CCOc3ccc(F)cc3)CCO2)cc(=O)[nH]1 ZINC000257321304 463776732 /nfs/dbraw/zinc/77/67/32/463776732.db2.gz WBBKNCXRKKTPPX-MRXNPFEDSA-N 1 2 333.363 2.082 40 0 EEABLO CC1(C)[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@H]2CCO[C@H]21 ZINC000230153378 464204091 /nfs/dbraw/zinc/20/40/91/464204091.db2.gz JOHQNPYPGGMGAZ-YUSALJHKSA-N 1 2 346.353 2.058 40 0 EEABLO Cn1cncc1C[N@@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC000248036686 464726076 /nfs/dbraw/zinc/72/60/76/464726076.db2.gz MXKPMVVSWDMMLY-FRFSOERESA-N 1 2 348.472 2.073 40 0 EEABLO Cn1cncc1C[N@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC000248036686 464726080 /nfs/dbraw/zinc/72/60/80/464726080.db2.gz MXKPMVVSWDMMLY-FRFSOERESA-N 1 2 348.472 2.073 40 0 EEABLO Cn1c[nH+]cc1CN1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC000248036686 464726083 /nfs/dbraw/zinc/72/60/83/464726083.db2.gz MXKPMVVSWDMMLY-FRFSOERESA-N 1 2 348.472 2.073 40 0 EEABLO Cc1ccncc1S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000331884942 466290153 /nfs/dbraw/zinc/29/01/53/466290153.db2.gz IDTPHGIEYWUHDW-UHFFFAOYSA-N 1 2 348.472 2.468 40 0 EEABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000408596793 466681828 /nfs/dbraw/zinc/68/18/28/466681828.db2.gz SGBQRFFWYJPGAO-UHFFFAOYSA-N 1 2 343.836 2.304 40 0 EEABLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000131380477 528732863 /nfs/dbraw/zinc/73/28/63/528732863.db2.gz PNLDPPACDPQOIY-LBPRGKRZSA-N 1 2 342.399 2.189 40 0 EEABLO COc1ncccc1C(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257257557 537150626 /nfs/dbraw/zinc/15/06/26/537150626.db2.gz KQCQRBAJFDFDHH-CQSZACIVSA-N 1 2 326.400 2.226 40 0 EEABLO CC[N@H+](Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2ccns2)CC1 ZINC001548454009 1124295791 /nfs/dbraw/zinc/29/57/91/1124295791.db2.gz SQMBDUJMAHIRJP-ZDUSSCGKSA-N 1 2 349.460 2.351 40 0 EEABLO CC[N@@H+](Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2ccns2)CC1 ZINC001548454009 1124295797 /nfs/dbraw/zinc/29/57/97/1124295797.db2.gz SQMBDUJMAHIRJP-ZDUSSCGKSA-N 1 2 349.460 2.351 40 0 EEABLO O=C([C@@H]1CCCO1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000181135754 234094372 /nfs/dbraw/zinc/09/43/72/234094372.db2.gz CSOWDUAOZRERBN-SFHVURJKSA-N 1 2 325.412 2.190 40 0 EEABLO CC[C@H](O)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245338741 243102436 /nfs/dbraw/zinc/10/24/36/243102436.db2.gz OGOTZCSWJSVETQ-MAZHCROVSA-N 1 2 341.402 2.170 40 0 EEABLO CC[C@H](O)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245338741 243102441 /nfs/dbraw/zinc/10/24/41/243102441.db2.gz OGOTZCSWJSVETQ-MAZHCROVSA-N 1 2 341.402 2.170 40 0 EEABLO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257207614 244138843 /nfs/dbraw/zinc/13/88/43/244138843.db2.gz BIMOAOVCBDWVQQ-SFHVURJKSA-N 1 2 340.431 2.101 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000257223214 244191341 /nfs/dbraw/zinc/19/13/41/244191341.db2.gz DWKDYUSXLJNFMV-LBPRGKRZSA-N 1 2 325.459 2.254 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000257223214 244191347 /nfs/dbraw/zinc/19/13/47/244191347.db2.gz DWKDYUSXLJNFMV-LBPRGKRZSA-N 1 2 325.459 2.254 40 0 EEABLO COc1ccccc1[C@H]1CN(c2cc(C)[nH+]cn2)CCN1C(C)=O ZINC000257243220 244249816 /nfs/dbraw/zinc/24/98/16/244249816.db2.gz IFXYZDHFWJZJET-MRXNPFEDSA-N 1 2 326.400 2.203 40 0 EEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)[nH+]1 ZINC000257240771 244243110 /nfs/dbraw/zinc/24/31/10/244243110.db2.gz HVDIGHWGOQIYJL-CQSZACIVSA-N 1 2 336.399 2.143 40 0 EEABLO C[N@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000093938644 218258161 /nfs/dbraw/zinc/25/81/61/218258161.db2.gz OWFMYPKVHDJTAE-LBPRGKRZSA-N 1 2 336.226 2.207 40 0 EEABLO C[N@@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000093938644 218258163 /nfs/dbraw/zinc/25/81/63/218258163.db2.gz OWFMYPKVHDJTAE-LBPRGKRZSA-N 1 2 336.226 2.207 40 0 EEABLO COCCn1nnnc1[C@@H](c1ccc(OC)cc1)[NH+]1CCC(C)CC1 ZINC000004847682 285196373 /nfs/dbraw/zinc/19/63/73/285196373.db2.gz FZOASIDIPQPXGQ-QGZVFWFLSA-N 1 2 345.447 2.149 40 0 EEABLO CC(C)N(C(=O)CN1c2ccccc2C2=[NH+]CCN2C1=O)C(C)C ZINC000012184978 279286037 /nfs/dbraw/zinc/28/60/37/279286037.db2.gz UEOUTQIKTFFPIJ-UHFFFAOYSA-N 1 2 328.416 2.334 40 0 EEABLO Cc1cc(N)cc([C@H]2C[N@H+](Cc3ccccc3C(=O)[O-])CCO2)[nH+]1 ZINC000257294642 301330482 /nfs/dbraw/zinc/33/04/82/301330482.db2.gz QVAMYSCFSNGHHC-QGZVFWFLSA-N 1 2 327.384 2.244 40 0 EEABLO Cc1cc(N)cc([C@H]2C[N@@H+](Cc3ccccc3C(=O)[O-])CCO2)[nH+]1 ZINC000257294642 301330488 /nfs/dbraw/zinc/33/04/88/301330488.db2.gz QVAMYSCFSNGHHC-QGZVFWFLSA-N 1 2 327.384 2.244 40 0 EEABLO CC[NH+]1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1 ZINC000074934738 462657350 /nfs/dbraw/zinc/65/73/50/462657350.db2.gz XXMQSEYWGVKBCX-UHFFFAOYSA-N 1 2 326.462 2.145 40 0 EEABLO COC[C@@H](C)[NH+]1CCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000076615745 462885927 /nfs/dbraw/zinc/88/59/27/462885927.db2.gz DJZIBBGZEIWXJL-SNVBAGLBSA-N 1 2 348.415 2.451 40 0 EEABLO Nc1nc(N2CCC[C@@H]2C(=O)NCc2ccco2)[nH+]c2ccccc12 ZINC000134902048 463094439 /nfs/dbraw/zinc/09/44/39/463094439.db2.gz OYWIHCXNSRWELQ-OAHLLOKOSA-N 1 2 337.383 2.090 40 0 EEABLO c1ccc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC000096041380 463146208 /nfs/dbraw/zinc/14/62/08/463146208.db2.gz KLUWYJKCWUYDKA-FHWLQOOXSA-N 1 2 325.412 2.425 40 0 EEABLO c1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC000096041380 463146210 /nfs/dbraw/zinc/14/62/10/463146210.db2.gz KLUWYJKCWUYDKA-FHWLQOOXSA-N 1 2 325.412 2.425 40 0 EEABLO Cc1nc(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)c[nH]1 ZINC000078871637 463157513 /nfs/dbraw/zinc/15/75/13/463157513.db2.gz PHZFGJFNSQJARE-UHFFFAOYSA-N 1 2 348.834 2.208 40 0 EEABLO Cc1nc(C[NH+]2CCC[C@]3(C(=O)[O-])C[N@H+](C(C)C)C[C@@H]3C2)cs1 ZINC000096100051 463173477 /nfs/dbraw/zinc/17/34/77/463173477.db2.gz QESMQTGMBTXRGI-YOEHRIQHSA-N 1 2 337.489 2.459 40 0 EEABLO Cc1nc(C[NH+]2CCC[C@]3(C(=O)[O-])C[N@@H+](C(C)C)C[C@@H]3C2)cs1 ZINC000096100051 463173482 /nfs/dbraw/zinc/17/34/82/463173482.db2.gz QESMQTGMBTXRGI-YOEHRIQHSA-N 1 2 337.489 2.459 40 0 EEABLO Cc1nc(C[N@@H+]2CCC[C@]3(C(=O)[O-])C[NH+](C(C)C)C[C@@H]3C2)cs1 ZINC000096100051 463173486 /nfs/dbraw/zinc/17/34/86/463173486.db2.gz QESMQTGMBTXRGI-YOEHRIQHSA-N 1 2 337.489 2.459 40 0 EEABLO Cc1nc(C[N@H+]2CCC[C@]3(C(=O)[O-])C[NH+](C(C)C)C[C@@H]3C2)cs1 ZINC000096100051 463173488 /nfs/dbraw/zinc/17/34/88/463173488.db2.gz QESMQTGMBTXRGI-YOEHRIQHSA-N 1 2 337.489 2.459 40 0 EEABLO C[N@H+](CCCN1CCOCC1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000096443337 463268497 /nfs/dbraw/zinc/26/84/97/463268497.db2.gz TVRRGTAMYRHMMG-SFHVURJKSA-N 1 2 344.434 2.359 40 0 EEABLO C[N@@H+](CCCN1CCOCC1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000096443337 463268500 /nfs/dbraw/zinc/26/85/00/463268500.db2.gz TVRRGTAMYRHMMG-SFHVURJKSA-N 1 2 344.434 2.359 40 0 EEABLO CCOCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000097238632 463354315 /nfs/dbraw/zinc/35/43/15/463354315.db2.gz SVYCADLAXMLTRI-BBRMVZONSA-N 1 2 330.350 2.392 40 0 EEABLO CCOCC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000097238632 463354320 /nfs/dbraw/zinc/35/43/20/463354320.db2.gz SVYCADLAXMLTRI-BBRMVZONSA-N 1 2 330.350 2.392 40 0 EEABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccccc3F)[C@H]2C1 ZINC000107249298 463563204 /nfs/dbraw/zinc/56/32/04/463563204.db2.gz UZFSBBNRIKENLA-QAPCUYQASA-N 1 2 346.427 2.331 40 0 EEABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccccc3F)[C@H]2C1 ZINC000107249298 463563207 /nfs/dbraw/zinc/56/32/07/463563207.db2.gz UZFSBBNRIKENLA-QAPCUYQASA-N 1 2 346.427 2.331 40 0 EEABLO CCOC(=O)c1c[nH+]c2ccccc2c1NCC1(O)CCOCC1 ZINC000084800492 463632412 /nfs/dbraw/zinc/63/24/12/463632412.db2.gz YUKYVSBIBPNRMO-UHFFFAOYSA-N 1 2 330.384 2.365 40 0 EEABLO CNc1cc([C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)cc[nH+]1 ZINC000257285082 463761782 /nfs/dbraw/zinc/76/17/82/463761782.db2.gz PFONIAHFFVNXPK-ZDUSSCGKSA-N 1 2 333.823 2.379 40 0 EEABLO C[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H]1c1ccccc1 ZINC000257328300 463779845 /nfs/dbraw/zinc/77/98/45/463779845.db2.gz XFBLTCDBYAILFP-GOSISDBHSA-N 1 2 347.422 2.396 40 0 EEABLO C[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H]1c1ccccc1 ZINC000257328300 463779852 /nfs/dbraw/zinc/77/98/52/463779852.db2.gz XFBLTCDBYAILFP-GOSISDBHSA-N 1 2 347.422 2.396 40 0 EEABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2nc3ccccc3n2)cc[nH+]1 ZINC000257336960 463784458 /nfs/dbraw/zinc/78/44/58/463784458.db2.gz YQUFZAOGSJCYEV-INIZCTEOSA-N 1 2 336.399 2.232 40 0 EEABLO COC(=O)c1oc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1C ZINC000191211219 464799547 /nfs/dbraw/zinc/79/95/47/464799547.db2.gz HZVODCHLOPWNHT-CQSZACIVSA-N 1 2 335.429 2.398 40 0 EEABLO COC(=O)c1oc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1C ZINC000191211219 464799552 /nfs/dbraw/zinc/79/95/52/464799552.db2.gz HZVODCHLOPWNHT-CQSZACIVSA-N 1 2 335.429 2.398 40 0 EEABLO CCc1nnc(C[NH+]2CCC(n3cc(Br)cn3)CC2)[nH]1 ZINC000253429910 465013673 /nfs/dbraw/zinc/01/36/73/465013673.db2.gz VWWGQACQPUKRDP-UHFFFAOYSA-N 1 2 339.241 2.163 40 0 EEABLO Cn1ccc(-c2nc(C(=O)NCCCn3cc[nH+]c3)c3ccccn32)c1 ZINC000306138715 466493126 /nfs/dbraw/zinc/49/31/26/466493126.db2.gz SFLNPDGINIEPRU-UHFFFAOYSA-N 1 2 348.410 2.356 40 0 EEABLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000096461439 534468403 /nfs/dbraw/zinc/46/84/03/534468403.db2.gz 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ZINC000078556970 217076987 /nfs/dbraw/zinc/07/69/87/217076987.db2.gz DINPWDARGVZQCC-RYUDHWBXSA-N 1 2 326.462 2.374 40 0 EEABLO C[N@H+](CCOC[C@H]1CCCO1)CC(=O)Nc1ccccc1Cl ZINC000095400855 218335547 /nfs/dbraw/zinc/33/55/47/218335547.db2.gz VDPGWTCXFBHOLG-CYBMUJFWSA-N 1 2 326.824 2.406 40 0 EEABLO C[N@@H+](CCOC[C@H]1CCCO1)CC(=O)Nc1ccccc1Cl ZINC000095400855 218335550 /nfs/dbraw/zinc/33/55/50/218335550.db2.gz VDPGWTCXFBHOLG-CYBMUJFWSA-N 1 2 326.824 2.406 40 0 EEABLO CNC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257311360 277229729 /nfs/dbraw/zinc/22/97/29/277229729.db2.gz UJBLSQJMXMQCGR-CYBMUJFWSA-N 1 2 344.390 2.333 40 0 EEABLO CNC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257311360 277229731 /nfs/dbraw/zinc/22/97/31/277229731.db2.gz UJBLSQJMXMQCGR-CYBMUJFWSA-N 1 2 344.390 2.333 40 0 EEABLO CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(Cc1nccs1)C2 ZINC000096254033 277666377 /nfs/dbraw/zinc/66/63/77/277666377.db2.gz PVKZYRRSMCYMGW-UHFFFAOYSA-N 1 2 332.477 2.378 40 0 EEABLO O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1ccn2cc[nH+]c2c1 ZINC000089332392 462667361 /nfs/dbraw/zinc/66/73/61/462667361.db2.gz UJCOSNPHAVMMMZ-CQSZACIVSA-N 1 2 347.321 2.399 40 0 EEABLO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2nccs2)C1 ZINC000096041275 463146580 /nfs/dbraw/zinc/14/65/80/463146580.db2.gz NCNRSEXDSXUFLO-NWANDNLSSA-N 1 2 347.440 2.032 40 0 EEABLO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2nccs2)C1 ZINC000096041275 463146585 /nfs/dbraw/zinc/14/65/85/463146585.db2.gz NCNRSEXDSXUFLO-NWANDNLSSA-N 1 2 347.440 2.032 40 0 EEABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000096041683 463146651 /nfs/dbraw/zinc/14/66/51/463146651.db2.gz YKTMCMKJVADHAI-RCCFBDPRSA-N 1 2 329.400 2.497 40 0 EEABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000096041683 463146652 /nfs/dbraw/zinc/14/66/52/463146652.db2.gz YKTMCMKJVADHAI-RCCFBDPRSA-N 1 2 329.400 2.497 40 0 EEABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(C(=O)c1cscn1)C2 ZINC000096044915 463149124 /nfs/dbraw/zinc/14/91/24/463149124.db2.gz UCIWDQBZSDYZGX-GFCCVEGCSA-N 1 2 332.429 2.043 40 0 EEABLO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096049122 463153546 /nfs/dbraw/zinc/15/35/46/463153546.db2.gz XCHGFUBCKIEMRN-IBGZPJMESA-N 1 2 341.411 2.182 40 0 EEABLO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096049122 463153549 /nfs/dbraw/zinc/15/35/49/463153549.db2.gz XCHGFUBCKIEMRN-IBGZPJMESA-N 1 2 341.411 2.182 40 0 EEABLO CNC(=O)c1cccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000096424275 463254515 /nfs/dbraw/zinc/25/45/15/463254515.db2.gz PXDGRRIDBRUVSU-MRXNPFEDSA-N 1 2 338.455 2.320 40 0 EEABLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000096455760 463275188 /nfs/dbraw/zinc/27/51/88/463275188.db2.gz QCBCHZUFPUZUGZ-GFCCVEGCSA-N 1 2 345.834 2.112 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000096456008 463275494 /nfs/dbraw/zinc/27/54/94/463275494.db2.gz YDZUPCXSQVVWJM-OAHLLOKOSA-N 1 2 346.818 2.238 40 0 EEABLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ncccc2F)CC1 ZINC000084486259 463606043 /nfs/dbraw/zinc/60/60/43/463606043.db2.gz XLCQXLSCOKVHFI-HNNXBMFYSA-N 1 2 334.439 2.134 40 0 EEABLO O=C1CCCN1C[C@H](O)C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084496637 463606912 /nfs/dbraw/zinc/60/69/12/463606912.db2.gz ZHVOVMMMASOBTD-CYBMUJFWSA-N 1 2 343.254 2.335 40 0 EEABLO O=C1CCCN1C[C@H](O)C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084496637 463606918 /nfs/dbraw/zinc/60/69/18/463606918.db2.gz ZHVOVMMMASOBTD-CYBMUJFWSA-N 1 2 343.254 2.335 40 0 EEABLO CCc1noc(CCC(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257285146 463761151 /nfs/dbraw/zinc/76/11/51/463761151.db2.gz PFWBSZYQWKVQFO-ZDUSSCGKSA-N 1 2 331.420 2.013 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H](OC)[C@]2(CCCO2)C1 ZINC000257304568 463770291 /nfs/dbraw/zinc/77/02/91/463770291.db2.gz SMGSCMPUNATTJN-HKUYNNGSSA-N 1 2 348.443 2.212 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H](OC)[C@]2(CCCO2)C1 ZINC000257304568 463770295 /nfs/dbraw/zinc/77/02/95/463770295.db2.gz SMGSCMPUNATTJN-HKUYNNGSSA-N 1 2 348.443 2.212 40 0 EEABLO CNc1cccc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257316162 463775074 /nfs/dbraw/zinc/77/50/74/463775074.db2.gz VEKGZMRXYUYRGY-SFHVURJKSA-N 1 2 341.411 2.468 40 0 EEABLO CNc1cccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257316162 463775079 /nfs/dbraw/zinc/77/50/79/463775079.db2.gz VEKGZMRXYUYRGY-SFHVURJKSA-N 1 2 341.411 2.468 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCN2C)cc1 ZINC000257318713 463777017 /nfs/dbraw/zinc/77/70/17/463777017.db2.gz VPBIJKMWKWMYHE-GOSISDBHSA-N 1 2 342.443 2.187 40 0 EEABLO CCOc1ccc(CN2CCOC[C@H]2c2[nH]cc(C)[nH+]2)cc1CO ZINC000257332055 463781684 /nfs/dbraw/zinc/78/16/84/463781684.db2.gz XVNRBMBFQIWCIK-INIZCTEOSA-N 1 2 331.416 2.183 40 0 EEABLO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2ccnn2C(C)C)n1 ZINC000257337573 463784334 /nfs/dbraw/zinc/78/43/34/463784334.db2.gz YTJMDLOKILPPTA-GOSISDBHSA-N 1 2 342.447 2.227 40 0 EEABLO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)n1 ZINC000257337573 463784337 /nfs/dbraw/zinc/78/43/37/463784337.db2.gz YTJMDLOKILPPTA-GOSISDBHSA-N 1 2 342.447 2.227 40 0 EEABLO COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000195382840 464048260 /nfs/dbraw/zinc/04/82/60/464048260.db2.gz PFYMAIXJHFNOLA-LSDHHAIUSA-N 1 2 349.456 2.472 40 0 EEABLO COc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2cnccn2)CCO3)c1 ZINC000247878528 464712077 /nfs/dbraw/zinc/71/20/77/464712077.db2.gz IELWUBAULNVGKX-QGZVFWFLSA-N 1 2 341.411 2.298 40 0 EEABLO Cc1nc(CN2Cc3c[nH+]cn3[C@@H](C(=O)NC3CCCC3)C2)cs1 ZINC000247963451 464717928 /nfs/dbraw/zinc/71/79/28/464717928.db2.gz PNSKDSHTMSTJMG-MRXNPFEDSA-N 1 2 345.472 2.264 40 0 EEABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)Cc2ccnn21 ZINC000247969854 464719620 /nfs/dbraw/zinc/71/96/20/464719620.db2.gz UFEWYUJVEWVNCQ-KRWDZBQOSA-N 1 2 335.411 2.124 40 0 EEABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)Cc2ccnn21 ZINC000247969854 464719625 /nfs/dbraw/zinc/71/96/25/464719625.db2.gz UFEWYUJVEWVNCQ-KRWDZBQOSA-N 1 2 335.411 2.124 40 0 EEABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@H]2C ZINC000585097747 468965659 /nfs/dbraw/zinc/96/56/59/468965659.db2.gz NUCQASXTZRERBE-LBPRGKRZSA-N 1 2 343.383 2.018 40 0 EEABLO Cc1nnc(CN2CC[NH+](Cc3ccccc3OC(C)C)CC2)[nH]1 ZINC000585139809 468988978 /nfs/dbraw/zinc/98/89/78/468988978.db2.gz KDJVTALSJSKUCI-UHFFFAOYSA-N 1 2 329.448 2.218 40 0 EEABLO Cc1[nH+]cc(-c2cncc(CC3CCN(c4ncccn4)CC3)n2)n1C ZINC000585261145 468995127 /nfs/dbraw/zinc/99/51/27/468995127.db2.gz QHXXVRAQNMAZFV-UHFFFAOYSA-N 1 2 349.442 2.435 40 0 EEABLO COc1ccc([C@H]2C[N@H+](Cc3cnn(C)c3C)CCN2C(C)=O)cc1 ZINC000257223664 536944224 /nfs/dbraw/zinc/94/42/24/536944224.db2.gz DYJNIECZHLSNPT-LJQANCHMSA-N 1 2 342.443 2.143 40 0 EEABLO COc1ccc([C@H]2C[N@@H+](Cc3cnn(C)c3C)CCN2C(C)=O)cc1 ZINC000257223664 536944228 /nfs/dbraw/zinc/94/42/28/536944228.db2.gz DYJNIECZHLSNPT-LJQANCHMSA-N 1 2 342.443 2.143 40 0 EEABLO NC(=O)c1ccc([C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CCO2)nc1 ZINC000072388128 216188524 /nfs/dbraw/zinc/18/85/24/216188524.db2.gz JBYLAWFNDLAZTR-GOSISDBHSA-N 1 2 336.395 2.235 40 0 EEABLO NC(=O)c1ccc([C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CCO2)nc1 ZINC000072388128 216188526 /nfs/dbraw/zinc/18/85/26/216188526.db2.gz JBYLAWFNDLAZTR-GOSISDBHSA-N 1 2 336.395 2.235 40 0 EEABLO CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000072960883 216333092 /nfs/dbraw/zinc/33/30/92/216333092.db2.gz HNXKYHVDZIOGLP-JTQLQIEISA-N 1 2 331.445 2.399 40 0 EEABLO Cc1ncc(/C=C/C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)s1 ZINC000073118992 216352590 /nfs/dbraw/zinc/35/25/90/216352590.db2.gz YDGKDPUJOIEUSL-PGLGOXFNSA-N 1 2 336.486 2.100 40 0 EEABLO CCCc1[nH][nH]c(=O)c1[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000019690967 284099817 /nfs/dbraw/zinc/09/98/17/284099817.db2.gz FNZWLBMEHLMPNB-OAHLLOKOSA-N 1 2 345.399 2.382 40 0 EEABLO CCCc1[nH][nH]c(=O)c1[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000019690967 284099822 /nfs/dbraw/zinc/09/98/22/284099822.db2.gz FNZWLBMEHLMPNB-OAHLLOKOSA-N 1 2 345.399 2.382 40 0 EEABLO O=S(=O)(CCC(F)(F)F)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000253406691 243914858 /nfs/dbraw/zinc/91/48/58/243914858.db2.gz UVWVJRKRLIMYHY-UHFFFAOYSA-N 1 2 338.351 2.207 40 0 EEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ccnc(N4CCCC4)c3)C2)[nH+]1 ZINC000257219646 244178295 /nfs/dbraw/zinc/17/82/95/244178295.db2.gz DHOLMPSBUNIHNA-HNNXBMFYSA-N 1 2 325.416 2.343 40 0 EEABLO c1cnc(CC[C@@H]2COCC[N@@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000257269638 244374059 /nfs/dbraw/zinc/37/40/59/244374059.db2.gz MQTFNMMWVQRWDR-QGZVFWFLSA-N 1 2 341.411 2.081 40 0 EEABLO c1cnc(CC[C@@H]2COCC[N@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000257269638 244374069 /nfs/dbraw/zinc/37/40/69/244374069.db2.gz MQTFNMMWVQRWDR-QGZVFWFLSA-N 1 2 341.411 2.081 40 0 EEABLO CCCn1cc(C[N@@H+]2CCn3c(CO)nnc3C2)c2ccccc21 ZINC000012330653 211348419 /nfs/dbraw/zinc/34/84/19/211348419.db2.gz DBACTBLORBVROF-UHFFFAOYSA-N 1 2 325.416 2.151 40 0 EEABLO CCCn1cc(C[N@H+]2CCn3c(CO)nnc3C2)c2ccccc21 ZINC000012330653 211348422 /nfs/dbraw/zinc/34/84/22/211348422.db2.gz DBACTBLORBVROF-UHFFFAOYSA-N 1 2 325.416 2.151 40 0 EEABLO CS(=O)(=O)CC1(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)CC1 ZINC000329238220 465277650 /nfs/dbraw/zinc/27/76/50/465277650.db2.gz KYKHQMTYRCDESS-UHFFFAOYSA-N 1 2 333.335 2.275 40 0 EEABLO O=C(Cc1ccccc1Cl)N1CC[NH+](C[C@H](O)c2ccco2)CC1 ZINC000085436769 462548000 /nfs/dbraw/zinc/54/80/00/462548000.db2.gz MMLQHEDYMHRIRJ-INIZCTEOSA-N 1 2 348.830 2.353 40 0 EEABLO O=C(c1csnn1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000095463134 463089351 /nfs/dbraw/zinc/08/93/51/463089351.db2.gz NHHKSUBDNBZKFS-UHFFFAOYSA-N 1 2 339.424 2.176 40 0 EEABLO Cc1occc1C(=O)N1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096068054 463164903 /nfs/dbraw/zinc/16/49/03/463164903.db2.gz CEZYGZRDPKOBPI-UHFFFAOYSA-N 1 2 337.383 2.448 40 0 EEABLO COc1ccc2[nH]c(CO[C@H]3CN(Cc4[nH]cc[nH+]4)C[C@H]3F)nc2c1 ZINC000096112271 463179602 /nfs/dbraw/zinc/17/96/02/463179602.db2.gz PEYXKEMVMWNJGD-DOMZBBRYSA-N 1 2 345.378 2.034 40 0 biogenic,in-vitro EEABLO c1csc(CN2Cc3[nH+]ccn3C[C@H](COc3cccnc3)C2)n1 ZINC000096187965 463200181 /nfs/dbraw/zinc/20/01/81/463200181.db2.gz FPQDVSHHCDXXAC-CQSZACIVSA-N 1 2 341.440 2.446 40 0 EEABLO Cc1ncoc1C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CCC2)C1 ZINC000096216113 463213165 /nfs/dbraw/zinc/21/31/65/463213165.db2.gz TWBYPYSQSVOXIG-OAHLLOKOSA-N 1 2 344.415 2.268 40 0 EEABLO Cc1occc1C(=O)N1CC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219121 463216985 /nfs/dbraw/zinc/21/69/85/463216985.db2.gz WZPFTCBPGYXEIY-KBXCAEBGSA-N 1 2 327.384 2.469 40 0 EEABLO O=C(C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1)Nc1cccnc1 ZINC000096424447 463255479 /nfs/dbraw/zinc/25/54/79/463255479.db2.gz CKCMUEMSWGJWGO-QGZVFWFLSA-N 1 2 329.375 2.357 40 0 EEABLO O=C(C[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1)Nc1cccnc1 ZINC000096424447 463255482 /nfs/dbraw/zinc/25/54/82/463255482.db2.gz CKCMUEMSWGJWGO-QGZVFWFLSA-N 1 2 329.375 2.357 40 0 EEABLO COc1ccccc1CC(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000096429339 463259328 /nfs/dbraw/zinc/25/93/28/463259328.db2.gz AFDMPNNUOQUGEM-UHFFFAOYSA-N 1 2 340.427 2.439 40 0 EEABLO Cc1nc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc[nH+]1 ZINC000096429242 463259498 /nfs/dbraw/zinc/25/94/98/463259498.db2.gz XGXFLMQSFBUWIW-UHFFFAOYSA-N 1 2 334.445 2.225 40 0 EEABLO CC(C)[C@@H](CNC(=O)c1c(O)cccc1Cl)[NH+]1CCN(C)CC1 ZINC000096441049 463266693 /nfs/dbraw/zinc/26/66/93/463266693.db2.gz PANHTBXTJUHNJO-CQSZACIVSA-N 1 2 339.867 2.047 40 0 EEABLO CC(C)[C@@H](CNC(=O)c1c(O)cccc1Cl)N1CC[NH+](C)CC1 ZINC000096441049 463266704 /nfs/dbraw/zinc/26/67/04/463266704.db2.gz PANHTBXTJUHNJO-CQSZACIVSA-N 1 2 339.867 2.047 40 0 EEABLO Cc1noc(CCNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000096503142 463292581 /nfs/dbraw/zinc/29/25/81/463292581.db2.gz KEQIUPFHMOTFPA-LBPRGKRZSA-N 1 2 349.460 2.070 40 0 EEABLO COc1ncccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000081931202 463504318 /nfs/dbraw/zinc/50/43/18/463504318.db2.gz LCIPOSOXCVSSHN-UHFFFAOYSA-N 1 2 336.395 2.459 40 0 EEABLO COC(=O)c1ccc(C)c(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000043388430 463638792 /nfs/dbraw/zinc/63/87/92/463638792.db2.gz CPXNXICUFPXQPE-UHFFFAOYSA-N 1 2 349.431 2.014 40 0 EEABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)Nc3nccs3)C2)nc[nH+]1 ZINC000257306387 463770882 /nfs/dbraw/zinc/77/08/82/463770882.db2.gz SUCQDUKGVGPSKD-INIZCTEOSA-N 1 2 346.460 2.244 40 0 EEABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)Nc3nccs3)C2)[nH+]cn1 ZINC000257306387 463770886 /nfs/dbraw/zinc/77/08/86/463770886.db2.gz SUCQDUKGVGPSKD-INIZCTEOSA-N 1 2 346.460 2.244 40 0 EEABLO Cc1ccn(CCC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257310964 463773212 /nfs/dbraw/zinc/77/32/12/463773212.db2.gz UHJGXJWEQOAVKT-INIZCTEOSA-N 1 2 327.432 2.406 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCN2C)cc1 ZINC000257318714 463776282 /nfs/dbraw/zinc/77/62/82/463776282.db2.gz VPBIJKMWKWMYHE-SFHVURJKSA-N 1 2 342.443 2.187 40 0 EEABLO Cc1cccc(OC[C@@H](O)CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000277359408 463912329 /nfs/dbraw/zinc/91/23/29/463912329.db2.gz GVBXSDIRYLYXBL-HNNXBMFYSA-N 1 2 328.416 2.237 40 0 EEABLO Cc1cccc(OC[C@@H](O)CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000277359408 463912335 /nfs/dbraw/zinc/91/23/35/463912335.db2.gz GVBXSDIRYLYXBL-HNNXBMFYSA-N 1 2 328.416 2.237 40 0 EEABLO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1cn(-c2ccccc2)nn1 ZINC000195561450 464077417 /nfs/dbraw/zinc/07/74/17/464077417.db2.gz MCKJLNNZRVHELH-OWCLPIDISA-N 1 2 341.459 2.422 40 0 EEABLO O=S(=O)(CC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000279540764 464115811 /nfs/dbraw/zinc/11/58/11/464115811.db2.gz VMMMTBDNFCTUQI-UHFFFAOYSA-N 1 2 344.480 2.424 40 0 EEABLO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)c1ccsc1 ZINC000247343598 464669273 /nfs/dbraw/zinc/66/92/73/464669273.db2.gz AXKKFNFSTNTELH-MGPQQGTHSA-N 1 2 349.481 2.081 40 0 EEABLO O=C(NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)c1ccsc1 ZINC000247343598 464669281 /nfs/dbraw/zinc/66/92/81/464669281.db2.gz AXKKFNFSTNTELH-MGPQQGTHSA-N 1 2 349.481 2.081 40 0 EEABLO C[C@H]1c2[nH+]cc(CCOCC3CC3)n2CCN1C(=O)CC1(O)CCC1 ZINC000585098671 468967559 /nfs/dbraw/zinc/96/75/59/468967559.db2.gz WPYZOCASZYNMLQ-AWEZNQCLSA-N 1 2 347.459 2.061 40 0 EEABLO NC(=O)[C@@H]1CC[N@H+](Cc2c(Br)cc(F)c(F)c2F)C1 ZINC000585141325 468990334 /nfs/dbraw/zinc/99/03/34/468990334.db2.gz TWNUAIBOKFQIEZ-ZCFIWIBFSA-N 1 2 337.139 2.174 40 0 EEABLO NC(=O)[C@@H]1CC[N@@H+](Cc2c(Br)cc(F)c(F)c2F)C1 ZINC000585141325 468990341 /nfs/dbraw/zinc/99/03/41/468990341.db2.gz TWNUAIBOKFQIEZ-ZCFIWIBFSA-N 1 2 337.139 2.174 40 0 EEABLO CO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1Cc1ccccc1 ZINC000585278904 469005263 /nfs/dbraw/zinc/00/52/63/469005263.db2.gz IMZDZMPIKPEZEV-QZTJIDSGSA-N 1 2 327.428 2.379 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 ZINC000585279807 469006686 /nfs/dbraw/zinc/00/66/86/469006686.db2.gz PREHDVRPYRALRQ-AEFFLSMTSA-N 1 2 345.418 2.255 40 0 EEABLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2cnn(C3CCC3)c2)C1 ZINC000901873043 1236514994 /nfs/dbraw/zinc/51/49/94/1236514994.db2.gz CFQMOVLBWAQSNA-UHFFFAOYSA-N 1 2 346.456 2.397 40 0 EEABLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2cnn(C3CCC3)c2)C1 ZINC000901873043 1236514998 /nfs/dbraw/zinc/51/49/98/1236514998.db2.gz CFQMOVLBWAQSNA-UHFFFAOYSA-N 1 2 346.456 2.397 40 0 EEABLO OCCNc1[nH+]c2ccccc2n1C[C@H](O)c1cc(F)ccc1F ZINC000051092723 214076695 /nfs/dbraw/zinc/07/66/95/214076695.db2.gz GBDVWLCLWDXLRS-INIZCTEOSA-N 1 2 333.338 2.452 40 0 EEABLO Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131257372 223217836 /nfs/dbraw/zinc/21/78/36/223217836.db2.gz ITZJDQRNJDLNOX-OAHLLOKOSA-N 1 2 327.432 2.139 40 0 EEABLO CNC(=O)C[N@@H+]1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257254166 244276435 /nfs/dbraw/zinc/27/64/35/244276435.db2.gz KBYYITNNBULYKU-AWEZNQCLSA-N 1 2 326.400 2.194 40 0 EEABLO CNC(=O)C[N@H+]1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257254166 244276439 /nfs/dbraw/zinc/27/64/39/244276439.db2.gz KBYYITNNBULYKU-AWEZNQCLSA-N 1 2 326.400 2.194 40 0 EEABLO CCN(CC)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc[nH+]1 ZINC000079440278 217224849 /nfs/dbraw/zinc/22/48/49/217224849.db2.gz MLVPQDKCHSFIFP-UHFFFAOYSA-N 1 2 335.452 2.380 40 0 EEABLO CCN(CC)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cn1 ZINC000079440278 217224852 /nfs/dbraw/zinc/22/48/52/217224852.db2.gz MLVPQDKCHSFIFP-UHFFFAOYSA-N 1 2 335.452 2.380 40 0 EEABLO O=C(c1ccnnc1)N1Cc2c[nH+]cn2[C@H](COCC2CCCC2)C1 ZINC000247870910 296275760 /nfs/dbraw/zinc/27/57/60/296275760.db2.gz QOPHJSIXTSVEND-KRWDZBQOSA-N 1 2 341.415 2.077 40 0 EEABLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(=O)c2cccs2)CC1 ZINC000096037006 218518969 /nfs/dbraw/zinc/51/89/69/218518969.db2.gz SNOGIPSXYAZOQS-UHFFFAOYSA-N 1 2 330.457 2.330 40 0 EEABLO CC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000004909097 210319724 /nfs/dbraw/zinc/31/97/24/210319724.db2.gz OBGUYSVSBQWUES-UHFFFAOYSA-N 1 2 335.423 2.391 40 0 EEABLO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000057363922 132200101 /nfs/dbraw/zinc/20/01/01/132200101.db2.gz RORSBVXAVSCRLX-UHFFFAOYSA-N 1 2 325.412 2.461 40 0 EEABLO COc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nn1 ZINC000087256431 286289814 /nfs/dbraw/zinc/28/98/14/286289814.db2.gz PBHPQUKYAGHCBO-WMZOPIPTSA-N 1 2 349.394 2.340 40 0 EEABLO CN(C)CN1c2ccccc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635169 289186243 /nfs/dbraw/zinc/18/62/43/289186243.db2.gz KHOXUOMAGAZUNA-NRFANRHFSA-N 1 2 346.434 2.423 40 0 EEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3[nH]c(C)nc3c2)[nH+]1 ZINC000257232374 301025421 /nfs/dbraw/zinc/02/54/21/301025421.db2.gz GKPGVDHINDAGNV-OAHLLOKOSA-N 1 2 325.372 2.117 40 0 EEABLO CN(C)c1[nH+]cccc1O[C@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000252489120 464964983 /nfs/dbraw/zinc/96/49/83/464964983.db2.gz JFYVULMACNBTJP-AWEZNQCLSA-N 1 2 325.416 2.473 40 0 EEABLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000077340335 462970769 /nfs/dbraw/zinc/97/07/69/462970769.db2.gz HFAUVQLOHJCEOB-NSHDSACASA-N 1 2 329.803 2.172 40 0 EEABLO C[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000077340339 462971609 /nfs/dbraw/zinc/97/16/09/462971609.db2.gz HFAUVQLOHJCEOB-LLVKDONJSA-N 1 2 329.803 2.172 40 0 EEABLO CCc1cnc(N2CCc3[nH+]cc(CNc4ccccn4)n3CC2)nc1 ZINC000096197113 463203391 /nfs/dbraw/zinc/20/33/91/463203391.db2.gz PKPONUXRFBGLLJ-UHFFFAOYSA-N 1 2 349.442 2.305 40 0 EEABLO O=C(C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NC[C@@H]1CCCO1 ZINC000096415728 463248024 /nfs/dbraw/zinc/24/80/24/463248024.db2.gz BXQDEDKVOOXXME-RDJZCZTQSA-N 1 2 348.418 2.016 40 0 EEABLO O=C(C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NC[C@@H]1CCCO1 ZINC000096415728 463248030 /nfs/dbraw/zinc/24/80/30/463248030.db2.gz BXQDEDKVOOXXME-RDJZCZTQSA-N 1 2 348.418 2.016 40 0 EEABLO COc1cc(C[NH+]2CCN(c3nc(C)ns3)CC2)cc(OC)c1 ZINC000096447482 463271268 /nfs/dbraw/zinc/27/12/68/463271268.db2.gz IEMIPDWGXSHZJI-UHFFFAOYSA-N 1 2 334.445 2.186 40 0 EEABLO Cc1[nH]ccc1C(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000096470963 463278887 /nfs/dbraw/zinc/27/88/87/463278887.db2.gz FQEQGLBEEHMJNL-ZWKOTPCHSA-N 1 2 325.412 2.049 40 0 EEABLO Cc1[nH]ccc1C(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000096470963 463278892 /nfs/dbraw/zinc/27/88/92/463278892.db2.gz FQEQGLBEEHMJNL-ZWKOTPCHSA-N 1 2 325.412 2.049 40 0 EEABLO CC1=C(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCCO1 ZINC000096484860 463283492 /nfs/dbraw/zinc/28/34/92/463283492.db2.gz CAVAZQAPYKXTGL-GOSISDBHSA-N 1 2 344.455 2.131 40 0 EEABLO COC(C)(C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096492998 463288082 /nfs/dbraw/zinc/28/80/82/463288082.db2.gz CSNXPTWVZRKZRT-UHFFFAOYSA-N 1 2 327.428 2.436 40 0 EEABLO C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[NH+]1CCN(c2nccs2)CC1 ZINC000104623308 463416878 /nfs/dbraw/zinc/41/68/78/463416878.db2.gz WWTNAOAFBZDTRG-SOUVJXGZSA-N 1 2 336.505 2.349 40 0 EEABLO O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000040488936 463457033 /nfs/dbraw/zinc/45/70/33/463457033.db2.gz ZCUCZMPFHTZXTR-UHFFFAOYSA-N 1 2 349.394 2.356 40 0 EEABLO Cc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC000257280450 463760067 /nfs/dbraw/zinc/76/00/67/463760067.db2.gz OKWYVMZNNWNEMS-CQSZACIVSA-N 1 2 326.400 2.232 40 0 EEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)cc[nH+]1 ZINC000257290862 463763975 /nfs/dbraw/zinc/76/39/75/463763975.db2.gz QEQHLLIORYINOI-INIZCTEOSA-N 1 2 336.399 2.396 40 0 EEABLO Cc1nc(C[C@@H]2CCCN(c3cccc[nH+]3)C2)cc(C(=O)N(C)C)n1 ZINC000257310473 463772590 /nfs/dbraw/zinc/77/25/90/463772590.db2.gz UFEVNPQYVQEBMZ-HNNXBMFYSA-N 1 2 339.443 2.341 40 0 EEABLO COc1ccc(CC(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)cc1F ZINC000257315008 463774851 /nfs/dbraw/zinc/77/48/51/463774851.db2.gz UZMVSACCZWQLNF-CQSZACIVSA-N 1 2 333.363 2.008 40 0 EEABLO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257332393 463780944 /nfs/dbraw/zinc/78/09/44/463780944.db2.gz XXDADMNUVSFFEE-INIZCTEOSA-N 1 2 345.468 2.486 40 0 EEABLO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257332393 463780946 /nfs/dbraw/zinc/78/09/46/463780946.db2.gz XXDADMNUVSFFEE-INIZCTEOSA-N 1 2 345.468 2.486 40 0 EEABLO COc1cccc(C[N@@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c1F ZINC000257334056 463783344 /nfs/dbraw/zinc/78/33/44/463783344.db2.gz YEILVOXWOLXQJU-HNNXBMFYSA-N 1 2 347.390 2.164 40 0 EEABLO COc1cccc(C[N@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c1F ZINC000257334056 463783349 /nfs/dbraw/zinc/78/33/49/463783349.db2.gz YEILVOXWOLXQJU-HNNXBMFYSA-N 1 2 347.390 2.164 40 0 EEABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc(-n2cccn2)nc1 ZINC000257338554 463784957 /nfs/dbraw/zinc/78/49/57/463784957.db2.gz YXXXZXKSRHITBY-INIZCTEOSA-N 1 2 348.410 2.061 40 0 EEABLO Cc1cc(C)nc([C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000257340491 463786544 /nfs/dbraw/zinc/78/65/44/463786544.db2.gz ZGJMESZSVDSDKZ-MRXNPFEDSA-N 1 2 348.410 2.304 40 0 EEABLO COc1ccc(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1 ZINC000224351175 464151553 /nfs/dbraw/zinc/15/15/53/464151553.db2.gz GACRBWVULZGLSU-UHFFFAOYSA-N 1 2 341.415 2.404 40 0 EEABLO C[C@](O)(CNc1cc(N2CCOCC2)nc[nH+]1)c1ccccc1Cl ZINC000225485871 464165721 /nfs/dbraw/zinc/16/57/21/464165721.db2.gz ZDCHOCPTTLZSGB-KRWDZBQOSA-N 1 2 348.834 2.286 40 0 EEABLO C[C@](O)(CNc1cc(N2CCOCC2)[nH+]cn1)c1ccccc1Cl ZINC000225485871 464165729 /nfs/dbraw/zinc/16/57/29/464165729.db2.gz ZDCHOCPTTLZSGB-KRWDZBQOSA-N 1 2 348.834 2.286 40 0 EEABLO Nc1c(F)cc(Cl)cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000225562951 464172157 /nfs/dbraw/zinc/17/21/57/464172157.db2.gz WKDMFLRZAASTEJ-LLVKDONJSA-N 1 2 334.782 2.465 40 0 EEABLO C[C@@](O)(CNC(=O)C1CC[NH+](CC(F)F)CC1)c1cccs1 ZINC000225560861 464172766 /nfs/dbraw/zinc/17/27/66/464172766.db2.gz HHYPAPGGUPBDDW-OAHLLOKOSA-N 1 2 332.416 2.049 40 0 EEABLO COc1ccc(OC)c2c1C[N@H+](Cc1cnn3ccccc13)C[C@H]2O ZINC000179756117 464182448 /nfs/dbraw/zinc/18/24/48/464182448.db2.gz BVFJHFRPKKUIEH-MRXNPFEDSA-N 1 2 339.395 2.401 40 0 EEABLO COc1ccc(OC)c2c1C[N@@H+](Cc1cnn3ccccc13)C[C@H]2O ZINC000179756117 464182453 /nfs/dbraw/zinc/18/24/53/464182453.db2.gz BVFJHFRPKKUIEH-MRXNPFEDSA-N 1 2 339.395 2.401 40 0 EEABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000248029627 464723515 /nfs/dbraw/zinc/72/35/15/464723515.db2.gz KWCMBHIYJWBXLR-HUUCEWRRSA-N 1 2 342.443 2.085 40 0 EEABLO O=S1(=O)CC[C@H](C[NH+]2CCC(O)(c3ccccc3Cl)CC2)C1 ZINC000253430986 465013275 /nfs/dbraw/zinc/01/32/75/465013275.db2.gz GHMLEYPFOAKBOM-CYBMUJFWSA-N 1 2 343.876 2.058 40 0 EEABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1cc3cc(Cl)ccc3o1)C2 ZINC000585094721 468963010 /nfs/dbraw/zinc/96/30/10/468963010.db2.gz JEXBXDILMUJYBF-GFCCVEGCSA-N 1 2 345.786 2.379 40 0 EEABLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000585149248 468992664 /nfs/dbraw/zinc/99/26/64/468992664.db2.gz AZXLNZBYWLSEKU-UHFFFAOYSA-N 1 2 341.337 2.422 40 0 EEABLO Cc1ccccc1C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1O ZINC000585278371 469003795 /nfs/dbraw/zinc/00/37/95/469003795.db2.gz CSADQYSPKJUDFN-RTBURBONSA-N 1 2 341.455 2.424 40 0 EEABLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N(C)C(C)C)CC1 ZINC000186871035 526632741 /nfs/dbraw/zinc/63/27/41/526632741.db2.gz NBRSYCNLKBAIKP-UHFFFAOYSA-N 1 2 332.448 2.223 40 0 EEABLO O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000054276298 214229340 /nfs/dbraw/zinc/22/93/40/214229340.db2.gz YTUBJIMSVIQGCJ-JZXOWHBKSA-N 1 2 338.455 2.415 40 0 EEABLO CC(=O)NCc1ccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)s1 ZINC000068568889 215318199 /nfs/dbraw/zinc/31/81/99/215318199.db2.gz WOILODWGHPDVAD-UHFFFAOYSA-N 1 2 342.424 2.270 40 0 EEABLO COc1ccc(-c2noc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cn1 ZINC000035425897 213027823 /nfs/dbraw/zinc/02/78/23/213027823.db2.gz FPINCPAXGHVYMR-LBPRGKRZSA-N 1 2 326.360 2.200 40 0 biogenic,in-vitro EEABLO CCN(c1cc[nH+]cc1)S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000193476092 240178703 /nfs/dbraw/zinc/17/87/03/240178703.db2.gz CWMYPDXOYXNGTR-UHFFFAOYSA-N 1 2 332.425 2.415 40 0 EEABLO CC(C)Nc1nc(N2CCC[C@H]2c2ccco2)nc(NCCO)[nH+]1 ZINC000225820532 242051896 /nfs/dbraw/zinc/05/18/96/242051896.db2.gz QPAXMTBDFPZSBD-LBPRGKRZSA-N 1 2 332.408 2.031 40 0 EEABLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCC[C@H]2c2ccco2)n1 ZINC000225820532 242051901 /nfs/dbraw/zinc/05/19/01/242051901.db2.gz QPAXMTBDFPZSBD-LBPRGKRZSA-N 1 2 332.408 2.031 40 0 EEABLO CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]2c2ccco2)[nH+]1 ZINC000225820532 242051905 /nfs/dbraw/zinc/05/19/05/242051905.db2.gz QPAXMTBDFPZSBD-LBPRGKRZSA-N 1 2 332.408 2.031 40 0 EEABLO Cc1cc(OCC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)no1 ZINC000079362626 217216390 /nfs/dbraw/zinc/21/63/90/217216390.db2.gz FUGRAHKVLWAIHX-CYBMUJFWSA-N 1 2 339.342 2.059 40 0 EEABLO CCc1ncc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121823 211300442 /nfs/dbraw/zinc/30/04/42/211300442.db2.gz QRWZTSUWGFJNKA-UHFFFAOYSA-N 1 2 348.410 2.155 40 0 EEABLO CCc1ncc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121823 211300449 /nfs/dbraw/zinc/30/04/49/211300449.db2.gz QRWZTSUWGFJNKA-UHFFFAOYSA-N 1 2 348.410 2.155 40 0 EEABLO Cc1ccc([C@@](C)(O)CNC(=O)C[NH+]2CCC(C(F)(F)F)CC2)o1 ZINC000096495811 218873854 /nfs/dbraw/zinc/87/38/54/218873854.db2.gz FZNQMXFHVLPOSG-HNNXBMFYSA-N 1 2 348.365 2.186 40 0 EEABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](C)C1 ZINC000012529983 462853897 /nfs/dbraw/zinc/85/38/97/462853897.db2.gz DWTHMZFIQAGRJF-KBPBESRZSA-N 1 2 347.394 2.329 40 0 biogenic,in-vitro EEABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](C)C1 ZINC000012529983 462853903 /nfs/dbraw/zinc/85/39/03/462853903.db2.gz DWTHMZFIQAGRJF-KBPBESRZSA-N 1 2 347.394 2.329 40 0 biogenic,in-vitro EEABLO Fc1cccc(C[NH+]2CCN(c3ncc4c(n3)CCOC4)CC2)c1F ZINC000019292749 463015508 /nfs/dbraw/zinc/01/55/08/463015508.db2.gz INXXVEMQXIYSOG-UHFFFAOYSA-N 1 2 346.381 2.150 40 0 EEABLO COc1ccc([C@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)cc1OC ZINC000095533826 463107537 /nfs/dbraw/zinc/10/75/37/463107537.db2.gz XDEFATUOXZXNAZ-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc([C@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)cc1OC ZINC000095533826 463107541 /nfs/dbraw/zinc/10/75/41/463107541.db2.gz XDEFATUOXZXNAZ-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc([C@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)cc1OC ZINC000095533826 463107545 /nfs/dbraw/zinc/10/75/45/463107545.db2.gz XDEFATUOXZXNAZ-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)c1 ZINC000096042164 463146523 /nfs/dbraw/zinc/14/65/23/463146523.db2.gz JQBBIYVYEXRENJ-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)c1 ZINC000096042164 463146527 /nfs/dbraw/zinc/14/65/27/463146527.db2.gz JQBBIYVYEXRENJ-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO Cc1ccc(C[N@@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049857 463153602 /nfs/dbraw/zinc/15/36/02/463153602.db2.gz ADFZLTVNFIWRPE-IBGZPJMESA-N 1 2 343.427 2.091 40 0 EEABLO Cc1ccc(C[N@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049857 463153603 /nfs/dbraw/zinc/15/36/03/463153603.db2.gz ADFZLTVNFIWRPE-IBGZPJMESA-N 1 2 343.427 2.091 40 0 EEABLO COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nnn(CC3CC3)c21 ZINC000096060892 463160743 /nfs/dbraw/zinc/16/07/43/463160743.db2.gz VQETYOFQXZMAFO-INIZCTEOSA-N 1 2 342.443 2.443 40 0 EEABLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nnn(CC3CC3)c21 ZINC000096060892 463160748 /nfs/dbraw/zinc/16/07/48/463160748.db2.gz VQETYOFQXZMAFO-INIZCTEOSA-N 1 2 342.443 2.443 40 0 EEABLO Cc1ccc(CN2CCn3c(Cn4cncn4)c[nH+]c3[C@H]2C)s1 ZINC000096062089 463161570 /nfs/dbraw/zinc/16/15/70/463161570.db2.gz IRVQPPWBFPFNKG-CYBMUJFWSA-N 1 2 328.445 2.470 40 0 EEABLO O=C(c1ccccn1)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000096065192 463163183 /nfs/dbraw/zinc/16/31/83/463163183.db2.gz UQOACWURSXTDBK-LESCRADOSA-N 1 2 338.411 2.208 40 0 EEABLO CCOC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2[nH+]cn(C)c21 ZINC000096068620 463165700 /nfs/dbraw/zinc/16/57/00/463165700.db2.gz VMAWESUNTLAWML-CQSZACIVSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096068620 463165707 /nfs/dbraw/zinc/16/57/07/463165707.db2.gz VMAWESUNTLAWML-CQSZACIVSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096068620 463165712 /nfs/dbraw/zinc/16/57/12/463165712.db2.gz VMAWESUNTLAWML-CQSZACIVSA-N 1 2 329.400 2.285 40 0 EEABLO O=S(=O)(c1ccc(N2CC(n3cc[nH+]c3)C2)cc1)C(F)(F)F ZINC000079102832 463189198 /nfs/dbraw/zinc/18/91/98/463189198.db2.gz KVOKWQWWCVROEH-UHFFFAOYSA-N 1 2 331.319 2.238 40 0 EEABLO O=C1C[C@H](c2ccncc2)C2(CC[NH+](Cc3nccs3)CC2)N1 ZINC000096199904 463205881 /nfs/dbraw/zinc/20/58/81/463205881.db2.gz TUISZAVKXVGYIO-CQSZACIVSA-N 1 2 328.441 2.176 40 0 EEABLO O=C1C[C@@H](c2ccncc2)C2(CC[NH+](Cc3nccs3)CC2)N1 ZINC000096199903 463206243 /nfs/dbraw/zinc/20/62/43/463206243.db2.gz TUISZAVKXVGYIO-AWEZNQCLSA-N 1 2 328.441 2.176 40 0 EEABLO COC(=O)C[NH+]1CCC(Nc2ccc(-n3cc(C)cn3)c(F)c2)CC1 ZINC000136292370 463232597 /nfs/dbraw/zinc/23/25/97/463232597.db2.gz JFGDLBOCDOWCDQ-UHFFFAOYSA-N 1 2 346.406 2.369 40 0 EEABLO CCc1ncncc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000096408085 463241528 /nfs/dbraw/zinc/24/15/28/463241528.db2.gz QMUCSLPHMBXPKV-UHFFFAOYSA-N 1 2 326.400 2.124 40 0 EEABLO C[NH+]1CCN(C(=O)CSc2ccc(Br)cc2)CC1 ZINC000031852204 463356102 /nfs/dbraw/zinc/35/61/02/463356102.db2.gz PLYDUOBVFPTWQL-UHFFFAOYSA-N 1 2 329.263 2.315 40 0 EEABLO Cc1nc(N2CCN(C(=O)NC[C@@H](C)c3ccsc3)CC2)cc[nH+]1 ZINC000097376466 463357060 /nfs/dbraw/zinc/35/70/60/463357060.db2.gz JPGDUYKORQDZGM-CYBMUJFWSA-N 1 2 345.472 2.482 40 0 EEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)[nH+]1 ZINC000257288404 463763551 /nfs/dbraw/zinc/76/35/51/463763551.db2.gz PUBCDORDXHIQFA-HNNXBMFYSA-N 1 2 336.399 2.319 40 0 EEABLO CNC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257311361 463773736 /nfs/dbraw/zinc/77/37/36/463773736.db2.gz UJBLSQJMXMQCGR-ZDUSSCGKSA-N 1 2 344.390 2.333 40 0 EEABLO CNC(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257311361 463773740 /nfs/dbraw/zinc/77/37/40/463773740.db2.gz UJBLSQJMXMQCGR-ZDUSSCGKSA-N 1 2 344.390 2.333 40 0 EEABLO c1cc2c(C[C@H]3COCC[N@H+](Cc4cscn4)C3)nccn2c1 ZINC000257313200 463773967 /nfs/dbraw/zinc/77/39/67/463773967.db2.gz URJQAXNHMWUTGM-CQSZACIVSA-N 1 2 328.441 2.482 40 0 EEABLO c1cc2c(C[C@H]3COCC[N@@H+](Cc4cscn4)C3)nccn2c1 ZINC000257313200 463773971 /nfs/dbraw/zinc/77/39/71/463773971.db2.gz URJQAXNHMWUTGM-CQSZACIVSA-N 1 2 328.441 2.482 40 0 EEABLO C=Cn1cc(C[NH+]2CCN(C(=O)COc3ccccc3C)CC2)cn1 ZINC000225579758 464173497 /nfs/dbraw/zinc/17/34/97/464173497.db2.gz AWVYOWGDFKLMRQ-UHFFFAOYSA-N 1 2 340.427 2.015 40 0 EEABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccnn2C)[C@@H](C)C1 ZINC000225658150 464178281 /nfs/dbraw/zinc/17/82/81/464178281.db2.gz QPFGXZSLZCRZGU-HNNXBMFYSA-N 1 2 342.443 2.165 40 0 EEABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccnn2C)[C@@H](C)C1 ZINC000225658150 464178289 /nfs/dbraw/zinc/17/82/89/464178289.db2.gz QPFGXZSLZCRZGU-HNNXBMFYSA-N 1 2 342.443 2.165 40 0 EEABLO COCc1cccc(CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000188802014 464372185 /nfs/dbraw/zinc/37/21/85/464372185.db2.gz VDJSRQNYWILFKQ-KRWDZBQOSA-N 1 2 325.412 2.166 40 0 EEABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccnnc2)[C@@H](C)C1 ZINC000252497977 464969315 /nfs/dbraw/zinc/96/93/15/464969315.db2.gz QSTSSNMEUSNSMQ-HNNXBMFYSA-N 1 2 340.427 2.222 40 0 EEABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccnnc2)[C@@H](C)C1 ZINC000252497977 464969321 /nfs/dbraw/zinc/96/93/21/464969321.db2.gz QSTSSNMEUSNSMQ-HNNXBMFYSA-N 1 2 340.427 2.222 40 0 EEABLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NC(N)=O)ccc1Br ZINC000253432358 465014543 /nfs/dbraw/zinc/01/45/43/465014543.db2.gz JVOHDPYLBWHTDT-GFCCVEGCSA-N 1 2 340.221 2.089 40 0 EEABLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)NC(N)=O)ccc1Br ZINC000253432358 465014546 /nfs/dbraw/zinc/01/45/46/465014546.db2.gz JVOHDPYLBWHTDT-GFCCVEGCSA-N 1 2 340.221 2.089 40 0 EEABLO O=C(NC[C@H]1CCC2(C[NH+](Cc3ccoc3)C2)OC1)N1CCCC1 ZINC000585105393 468972637 /nfs/dbraw/zinc/97/26/37/468972637.db2.gz VZCWBHQXUDFZDA-OAHLLOKOSA-N 1 2 333.432 2.066 40 0 EEABLO CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000585140581 468989162 /nfs/dbraw/zinc/98/91/62/468989162.db2.gz HDSGCUBUJVOVRE-ZDUSSCGKSA-N 1 2 327.306 2.462 40 0 EEABLO COc1ccccc1CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131227692 534013808 /nfs/dbraw/zinc/01/38/08/534013808.db2.gz CEVKFERSBXBKMZ-INIZCTEOSA-N 1 2 325.412 2.418 40 0 EEABLO COCCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)cc1 ZINC000008105417 1352028496 /nfs/dbraw/zinc/02/84/96/1352028496.db2.gz FRNSIAOEBCQIDD-LJQANCHMSA-N 1 2 340.423 2.082 40 0 EEABLO COCCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)cc1 ZINC000008105417 1352028498 /nfs/dbraw/zinc/02/84/98/1352028498.db2.gz FRNSIAOEBCQIDD-LJQANCHMSA-N 1 2 340.423 2.082 40 0 EEABLO Cc1[nH+]c([C@@H]2CCCN(S(C)(=O)=O)C2)c2sc(C)c(C)n12 ZINC000072351271 216162371 /nfs/dbraw/zinc/16/23/71/216162371.db2.gz LEKLIJSHOYHQNA-GFCCVEGCSA-N 1 2 327.475 2.460 40 0 EEABLO Cc1noc(C)c1CCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130978864 223193330 /nfs/dbraw/zinc/19/33/30/223193330.db2.gz MEDRPXRPFLWPCZ-OAHLLOKOSA-N 1 2 328.416 2.404 40 0 EEABLO Cc1nnsc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000193310242 240100342 /nfs/dbraw/zinc/10/03/42/240100342.db2.gz IGVHXIXOSNUCIA-UHFFFAOYSA-N 1 2 343.412 2.396 40 0 EEABLO CCn1cnnc1[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000242302379 243016832 /nfs/dbraw/zinc/01/68/32/243016832.db2.gz YSDCUAGIRHRKEJ-AWEZNQCLSA-N 1 2 327.436 2.072 40 0 EEABLO CCn1cnnc1[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000242302379 243016839 /nfs/dbraw/zinc/01/68/39/243016839.db2.gz YSDCUAGIRHRKEJ-AWEZNQCLSA-N 1 2 327.436 2.072 40 0 EEABLO CNc1cc([C@@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)cc[nH+]1 ZINC000257224362 244193494 /nfs/dbraw/zinc/19/34/94/244193494.db2.gz FBNHHOGBKXZCFY-MRXNPFEDSA-N 1 2 327.432 2.343 40 0 EEABLO Cc1cncc([C@@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000257232119 244216987 /nfs/dbraw/zinc/21/69/87/244216987.db2.gz GJMIAEAMZCEAPJ-MRXNPFEDSA-N 1 2 348.410 2.386 40 0 EEABLO Cc1cc(C)n2nc(C(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cc2n1 ZINC000257231998 244215452 /nfs/dbraw/zinc/21/54/52/244215452.db2.gz GIYPIZKAICLWSG-GOSISDBHSA-N 1 2 349.438 2.475 40 0 EEABLO Cc1cc(C)n2nc(C(=O)N3CC[N@H+](C)[C@@H](c4ccccc4)C3)cc2n1 ZINC000257231998 244215460 /nfs/dbraw/zinc/21/54/60/244215460.db2.gz GIYPIZKAICLWSG-GOSISDBHSA-N 1 2 349.438 2.475 40 0 EEABLO COc1ccccc1[C@H]1C[N@H+](Cc2ccncc2)CCN1C(C)=O ZINC000257235741 244229470 /nfs/dbraw/zinc/22/94/70/244229470.db2.gz GZEMTTCODJIVAU-GOSISDBHSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccccc1[C@H]1C[N@@H+](Cc2ccncc2)CCN1C(C)=O ZINC000257235741 244229477 /nfs/dbraw/zinc/22/94/77/244229477.db2.gz GZEMTTCODJIVAU-GOSISDBHSA-N 1 2 325.412 2.496 40 0 EEABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000257242292 244247273 /nfs/dbraw/zinc/24/72/73/244247273.db2.gz IBUQOWOGVVIFGN-GOSISDBHSA-N 1 2 328.391 2.195 40 0 EEABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000257242292 244247279 /nfs/dbraw/zinc/24/72/79/244247279.db2.gz IBUQOWOGVVIFGN-GOSISDBHSA-N 1 2 328.391 2.195 40 0 EEABLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cnccn1 ZINC000078917069 217147290 /nfs/dbraw/zinc/14/72/90/217147290.db2.gz SEZKBDDMJMBLGI-GFCCVEGCSA-N 1 2 332.354 2.149 40 0 EEABLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cnccn1 ZINC000078917069 217147292 /nfs/dbraw/zinc/14/72/92/217147292.db2.gz SEZKBDDMJMBLGI-GFCCVEGCSA-N 1 2 332.354 2.149 40 0 EEABLO CCc1noc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1 ZINC000080926811 217342127 /nfs/dbraw/zinc/34/21/27/217342127.db2.gz OPPCIPOSFSHJLD-ZDUSSCGKSA-N 1 2 329.404 2.186 40 0 EEABLO CCc1noc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1 ZINC000080926811 217342130 /nfs/dbraw/zinc/34/21/30/217342130.db2.gz OPPCIPOSFSHJLD-ZDUSSCGKSA-N 1 2 329.404 2.186 40 0 EEABLO O=C(c1cccnc1)N1Cc2ccccc2OC[C@@H]1Cn1cc[nH+]c1 ZINC000012128208 284717590 /nfs/dbraw/zinc/71/75/90/284717590.db2.gz JVYZFYGURHMJGI-KRWDZBQOSA-N 1 2 334.379 2.382 40 0 EEABLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000096484473 279330811 /nfs/dbraw/zinc/33/08/11/279330811.db2.gz YPQFFWWWGZKPHF-HUUCEWRRSA-N 1 2 336.798 2.388 40 0 EEABLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000096484473 279330812 /nfs/dbraw/zinc/33/08/12/279330812.db2.gz YPQFFWWWGZKPHF-HUUCEWRRSA-N 1 2 336.798 2.388 40 0 EEABLO CCn1cc(CNc2[nH+]cnc3c2cnn3-c2ccccn2)c(C)n1 ZINC000046088349 462646535 /nfs/dbraw/zinc/64/65/35/462646535.db2.gz OWVUGUMYEFHSSB-UHFFFAOYSA-N 1 2 334.387 2.347 40 0 EEABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015674756 462960262 /nfs/dbraw/zinc/96/02/62/462960262.db2.gz DMZSBPKUFXGHLB-CVEARBPZSA-N 1 2 344.415 2.459 40 0 biogenic,in-vitro EEABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015674756 462960267 /nfs/dbraw/zinc/96/02/67/462960267.db2.gz DMZSBPKUFXGHLB-CVEARBPZSA-N 1 2 344.415 2.459 40 0 biogenic,in-vitro EEABLO COc1ccc(/C=C/C(=O)NCCCn2cc[nH+]c2)c(OC)c1OC ZINC000020242102 463025187 /nfs/dbraw/zinc/02/51/87/463025187.db2.gz JWIYOLHQTHIRHF-SOFGYWHQSA-N 1 2 345.399 2.129 40 0 EEABLO c1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)nc1 ZINC000096042162 463146020 /nfs/dbraw/zinc/14/60/20/463146020.db2.gz RBOPMJGTBSBSQX-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO c1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)nc1 ZINC000096042162 463146024 /nfs/dbraw/zinc/14/60/24/463146024.db2.gz RBOPMJGTBSBSQX-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO CC(C)n1nc(Cn2cc[nH+]c2)c2c1CN(C(=O)c1ccco1)C2 ZINC000096084549 463170174 /nfs/dbraw/zinc/17/01/74/463170174.db2.gz JYBVFPRJZZCJBW-UHFFFAOYSA-N 1 2 325.372 2.458 40 0 EEABLO COc1ncccc1C[N@@H+]1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC000096108149 463175763 /nfs/dbraw/zinc/17/57/63/463175763.db2.gz ZUKKVAQVAWEKAQ-FUHWJXTLSA-N 1 2 343.427 2.016 40 0 EEABLO COc1ncccc1C[N@H+]1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC000096108149 463175767 /nfs/dbraw/zinc/17/57/67/463175767.db2.gz ZUKKVAQVAWEKAQ-FUHWJXTLSA-N 1 2 343.427 2.016 40 0 EEABLO Cc1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COc3nccc(C)n3)C2)no1 ZINC000096110462 463178643 /nfs/dbraw/zinc/17/86/43/463178643.db2.gz AFHWLENLMIRUKK-AEFFLSMTSA-N 1 2 344.415 2.141 40 0 EEABLO Cc1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(COc3nccc(C)n3)C2)no1 ZINC000096110462 463178647 /nfs/dbraw/zinc/17/86/47/463178647.db2.gz AFHWLENLMIRUKK-AEFFLSMTSA-N 1 2 344.415 2.141 40 0 EEABLO O=C1N(c2ccc3c(c2)OCO3)CC12CCN(c1cccc[nH+]1)CC2 ZINC000096202975 463208862 /nfs/dbraw/zinc/20/88/62/463208862.db2.gz BFGJMUJZXYBDEQ-UHFFFAOYSA-N 1 2 337.379 2.444 40 0 EEABLO CCc1ccc(C[NH+]2CCN(C(=O)CCc3cnn(C)c3)CC2)s1 ZINC000096414529 463246789 /nfs/dbraw/zinc/24/67/89/463246789.db2.gz TXLFAURMPCANLM-UHFFFAOYSA-N 1 2 346.500 2.321 40 0 EEABLO CCn1c(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)n[nH]c1=S ZINC000096418673 463250744 /nfs/dbraw/zinc/25/07/44/463250744.db2.gz ZJINBNRCVKZRAS-UHFFFAOYSA-N 1 2 342.428 2.385 40 0 EEABLO CCCc1ncc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)s1 ZINC000096425013 463254761 /nfs/dbraw/zinc/25/47/61/463254761.db2.gz KFYYYENESBMDGE-UHFFFAOYSA-N 1 2 346.456 2.257 40 0 EEABLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)CCc1nccs1 ZINC000096483884 463282969 /nfs/dbraw/zinc/28/29/69/463282969.db2.gz UOOAWVRHFHJHFC-UHFFFAOYSA-N 1 2 328.445 2.410 40 0 EEABLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)CCc1nccs1 ZINC000096483884 463282977 /nfs/dbraw/zinc/28/29/77/463282977.db2.gz UOOAWVRHFHJHFC-UHFFFAOYSA-N 1 2 328.445 2.410 40 0 EEABLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCc2ccccc2F)CC1 ZINC000137563952 463297270 /nfs/dbraw/zinc/29/72/70/463297270.db2.gz YUEVSNPWJIAXBH-QGZVFWFLSA-N 1 2 347.478 2.387 40 0 EEABLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCc2ccccc2F)CC1 ZINC000137563952 463297276 /nfs/dbraw/zinc/29/72/76/463297276.db2.gz YUEVSNPWJIAXBH-QGZVFWFLSA-N 1 2 347.478 2.387 40 0 EEABLO Cc1cccn2cc(CCNC(=O)N[C@H]3CCO[C@H](C4CC4)C3)[nH+]c12 ZINC000097378434 463358284 /nfs/dbraw/zinc/35/82/84/463358284.db2.gz SGTJVLHQNQQVNM-RDJZCZTQSA-N 1 2 342.443 2.442 40 0 EEABLO O=C(c1ccsc1)N1Cc2c[nH+]cn2[C@H](COc2ncccn2)C1 ZINC000247871879 464710690 /nfs/dbraw/zinc/71/06/90/464710690.db2.gz RCYYPODGDXLHHT-AWEZNQCLSA-N 1 2 341.396 2.011 40 0 EEABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2cccnc2)cn1 ZINC000249681114 464903319 /nfs/dbraw/zinc/90/33/19/464903319.db2.gz BHRFFUDPCLXLOS-KRWDZBQOSA-N 1 2 342.443 2.358 40 0 EEABLO CCOC[C@@H]1CCS(=O)(=O)C12C[NH+](Cc1cc(C)ccc1C)C2 ZINC000585104035 468972319 /nfs/dbraw/zinc/97/23/19/468972319.db2.gz VKHVHYRVLGYQQY-KRWDZBQOSA-N 1 2 337.485 2.329 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)NC(C)C)C2)s1 ZINC000585110849 468973380 /nfs/dbraw/zinc/97/33/80/468973380.db2.gz PTWCXWANEHACLV-CQSZACIVSA-N 1 2 332.473 2.414 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)NC(C)C)C2)s1 ZINC000585110849 468973389 /nfs/dbraw/zinc/97/33/89/468973389.db2.gz PTWCXWANEHACLV-CQSZACIVSA-N 1 2 332.473 2.414 40 0 EEABLO CC(=O)N[C@H](c1nccs1)C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000257253732 534650627 /nfs/dbraw/zinc/65/06/27/534650627.db2.gz KABCGOSUUOBBLA-HNNXBMFYSA-N 1 2 331.445 2.335 40 0 EEABLO COc1ncccc1CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000096406810 525055180 /nfs/dbraw/zinc/05/51/80/525055180.db2.gz ZMZBJHYNONXORW-UHFFFAOYSA-N 1 2 337.383 2.275 40 0 EEABLO CC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000131393482 527310741 /nfs/dbraw/zinc/31/07/41/527310741.db2.gz RLZSSAGAAQKASV-KRWDZBQOSA-N 1 2 339.395 2.124 40 0 EEABLO CC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000131393482 527310748 /nfs/dbraw/zinc/31/07/48/527310748.db2.gz RLZSSAGAAQKASV-KRWDZBQOSA-N 1 2 339.395 2.124 40 0 EEABLO CCCCc1[nH]c(CN2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c[nH+]1 ZINC000257222427 535103113 /nfs/dbraw/zinc/10/31/13/535103113.db2.gz DTGFEZDAQDXMOP-MRXNPFEDSA-N 1 2 345.447 2.082 40 0 EEABLO CCCCc1[nH]cc(CN2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)[nH+]1 ZINC000257222427 535103117 /nfs/dbraw/zinc/10/31/17/535103117.db2.gz DTGFEZDAQDXMOP-MRXNPFEDSA-N 1 2 345.447 2.082 40 0 EEABLO CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cn1 ZINC000035426298 213026951 /nfs/dbraw/zinc/02/69/51/213026951.db2.gz QDFBPMWJNBSIKM-ZDUSSCGKSA-N 1 2 339.403 2.258 40 0 biogenic,in-vitro EEABLO Cc1ncsc1C[N@@H+]1CCO[C@@H](c2cc(N(C)C)nc(C)n2)C1 ZINC000072387836 216188357 /nfs/dbraw/zinc/18/83/57/216188357.db2.gz DCRRXFKXDATSQP-CQSZACIVSA-N 1 2 333.461 2.189 40 0 EEABLO Cc1ncsc1C[N@H+]1CCO[C@@H](c2cc(N(C)C)nc(C)n2)C1 ZINC000072387836 216188360 /nfs/dbraw/zinc/18/83/60/216188360.db2.gz DCRRXFKXDATSQP-CQSZACIVSA-N 1 2 333.461 2.189 40 0 EEABLO Cc1cccc2[nH+]c(CN3CCNC(=O)[C@H]3c3cccs3)cn21 ZINC000072800228 216307670 /nfs/dbraw/zinc/30/76/70/216307670.db2.gz CAYSKXATUDYCQD-MRXNPFEDSA-N 1 2 326.425 2.377 40 0 EEABLO Cc1cc(C)n(CC(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)n1 ZINC000257246132 244258928 /nfs/dbraw/zinc/25/89/28/244258928.db2.gz ISPOZYWMVRZVRX-KRWDZBQOSA-N 1 2 335.411 2.480 40 0 EEABLO CNC(=O)C[N@@H+]1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257254167 244276957 /nfs/dbraw/zinc/27/69/57/244276957.db2.gz KBYYITNNBULYKU-CQSZACIVSA-N 1 2 326.400 2.194 40 0 EEABLO CNC(=O)C[N@H+]1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257254167 244276962 /nfs/dbraw/zinc/27/69/62/244276962.db2.gz KBYYITNNBULYKU-CQSZACIVSA-N 1 2 326.400 2.194 40 0 EEABLO Cn1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000019291110 212011510 /nfs/dbraw/zinc/01/15/10/212011510.db2.gz LNMJDVNBNUOCNC-UHFFFAOYSA-N 1 2 332.379 2.041 40 0 EEABLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000080114182 217281106 /nfs/dbraw/zinc/28/11/06/217281106.db2.gz ZAYSPVZMZGOEAH-ZDUSSCGKSA-N 1 2 333.823 2.152 40 0 EEABLO CC(=O)N[C@@H]1CCC[N@H+](CCOc2ccccc2Br)C1 ZINC000093545867 218229829 /nfs/dbraw/zinc/22/98/29/218229829.db2.gz RLDJYNMZKAONHK-CYBMUJFWSA-N 1 2 341.249 2.428 40 0 EEABLO CC(=O)N[C@@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC000093545867 218229831 /nfs/dbraw/zinc/22/98/31/218229831.db2.gz RLDJYNMZKAONHK-CYBMUJFWSA-N 1 2 341.249 2.428 40 0 EEABLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)o1 ZINC000096049141 218539044 /nfs/dbraw/zinc/53/90/44/218539044.db2.gz ABYOYRUFYXATJE-GOSISDBHSA-N 1 2 328.416 2.249 40 0 EEABLO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)o1 ZINC000096049141 218539045 /nfs/dbraw/zinc/53/90/45/218539045.db2.gz ABYOYRUFYXATJE-GOSISDBHSA-N 1 2 328.416 2.249 40 0 EEABLO Cc1nn(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc12 ZINC000057279995 132199299 /nfs/dbraw/zinc/19/92/99/132199299.db2.gz ASIGVQPVNYJKNW-UHFFFAOYSA-N 1 2 349.438 2.479 40 0 EEABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](Oc1cnccn1)CCO2 ZINC000248051250 279180657 /nfs/dbraw/zinc/18/06/57/279180657.db2.gz SIDHXRZSFDWXPX-CYBMUJFWSA-N 1 2 332.429 2.054 40 0 EEABLO COc1nn(C)cc1C(=O)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000090607221 462802982 /nfs/dbraw/zinc/80/29/82/462802982.db2.gz DWRIDBCBWNHHDY-UHFFFAOYSA-N 1 2 337.383 2.491 40 0 EEABLO c1ccc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)nc1 ZINC000096042238 463147253 /nfs/dbraw/zinc/14/72/53/463147253.db2.gz OLOFLABSQQZWBL-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO c1ccc(CO[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)nc1 ZINC000096042238 463147259 /nfs/dbraw/zinc/14/72/59/463147259.db2.gz OLOFLABSQQZWBL-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO Cc1noc(C)c1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC(C)C)C1 ZINC000096044853 463149113 /nfs/dbraw/zinc/14/91/13/463149113.db2.gz KXPAOMQFNMKVHU-CQSZACIVSA-N 1 2 346.431 2.437 40 0 EEABLO Cc1occc1C(=O)N1CCn2c(Cn3cccn3)c[nH+]c2[C@H]1C ZINC000096062053 463161501 /nfs/dbraw/zinc/16/15/01/463161501.db2.gz LRKWRFLXDAKAQS-GFCCVEGCSA-N 1 2 325.372 2.246 40 0 EEABLO O=C(c1ccco1)N1CCOC2(CC[NH+](Cc3nccs3)CC2)C1 ZINC000096158897 463190637 /nfs/dbraw/zinc/19/06/37/463190637.db2.gz ZVCGAGLYCXRONB-UHFFFAOYSA-N 1 2 347.440 2.243 40 0 EEABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096188006 463200054 /nfs/dbraw/zinc/20/00/54/463200054.db2.gz SUZGUWSZGGFGQH-OAHLLOKOSA-N 1 2 326.400 2.116 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cncn3)C2)s1 ZINC000096188617 463200695 /nfs/dbraw/zinc/20/06/95/463200695.db2.gz WNTBDIVBSBMGGO-AWEZNQCLSA-N 1 2 328.445 2.177 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cncn3)C2)s1 ZINC000096188617 463200696 /nfs/dbraw/zinc/20/06/96/463200696.db2.gz WNTBDIVBSBMGGO-AWEZNQCLSA-N 1 2 328.445 2.177 40 0 EEABLO O=C(C1CCC1)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096188004 463200729 /nfs/dbraw/zinc/20/07/29/463200729.db2.gz KEHUYKNWHLWVCY-AWEZNQCLSA-N 1 2 326.400 2.116 40 0 EEABLO O=C(NCCNC(=O)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096409836 463242495 /nfs/dbraw/zinc/24/24/95/463242495.db2.gz WSHZIWVASHFGHT-UHFFFAOYSA-N 1 2 340.427 2.299 40 0 EEABLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NC[C@@H]2CCCO2)s1 ZINC000096424733 463255179 /nfs/dbraw/zinc/25/51/79/463255179.db2.gz BQXRPILHIHOGTB-STQMWFEESA-N 1 2 325.478 2.302 40 0 EEABLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NC[C@@H]2CCCO2)s1 ZINC000096424733 463255174 /nfs/dbraw/zinc/25/51/74/463255174.db2.gz BQXRPILHIHOGTB-STQMWFEESA-N 1 2 325.478 2.302 40 0 EEABLO O=C(CCn1cc[nH+]c1-c1ccncc1)NC(=O)NCc1ccccc1 ZINC000096435815 463263639 /nfs/dbraw/zinc/26/36/39/463263639.db2.gz HWVBVPVFYVBDLK-UHFFFAOYSA-N 1 2 349.394 2.361 40 0 EEABLO O=C(C[N@H+](Cc1ccc(Cl)nc1)C[C@H]1CCCO1)N1CCCC1 ZINC000096441686 463267276 /nfs/dbraw/zinc/26/72/76/463267276.db2.gz DPEVSOJEBDUWIV-OAHLLOKOSA-N 1 2 337.851 2.338 40 0 EEABLO O=C(C[N@@H+](Cc1ccc(Cl)nc1)C[C@H]1CCCO1)N1CCCC1 ZINC000096441686 463267278 /nfs/dbraw/zinc/26/72/78/463267278.db2.gz DPEVSOJEBDUWIV-OAHLLOKOSA-N 1 2 337.851 2.338 40 0 EEABLO Cc1nc(C[C@@H]2CCCN(c3cc(NCC4CC4)[nH+]cn3)C2)no1 ZINC000096496704 463289146 /nfs/dbraw/zinc/28/91/46/463289146.db2.gz WUDHLSLRHHGLLE-AWEZNQCLSA-N 1 2 328.420 2.449 40 0 EEABLO Cc1nc(C[C@@H]2CCCN(c3cc(NCC4CC4)nc[nH+]3)C2)no1 ZINC000096496704 463289150 /nfs/dbraw/zinc/28/91/50/463289150.db2.gz WUDHLSLRHHGLLE-AWEZNQCLSA-N 1 2 328.420 2.449 40 0 EEABLO Cc1ccc([C@](C)(O)CNC(=O)C[NH+]2CCC(C(F)(F)F)CC2)o1 ZINC000096495809 463289350 /nfs/dbraw/zinc/28/93/50/463289350.db2.gz FZNQMXFHVLPOSG-OAHLLOKOSA-N 1 2 348.365 2.186 40 0 EEABLO Cc1cc(C[N@@H+]2C[C@H](OCCCn3cccn3)[C@H]3OCCC[C@H]32)no1 ZINC000107714485 463580166 /nfs/dbraw/zinc/58/01/66/463580166.db2.gz PCGBCCIRVARCNG-SQNIBIBYSA-N 1 2 346.431 2.018 40 0 EEABLO Cc1cc(C[N@H+]2C[C@H](OCCCn3cccn3)[C@H]3OCCC[C@H]32)no1 ZINC000107714485 463580170 /nfs/dbraw/zinc/58/01/70/463580170.db2.gz PCGBCCIRVARCNG-SQNIBIBYSA-N 1 2 346.431 2.018 40 0 EEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)[nH+]1 ZINC000257283378 463761200 /nfs/dbraw/zinc/76/12/00/463761200.db2.gz OYAJUXHKCKNSMV-ZDUSSCGKSA-N 1 2 340.383 2.183 40 0 EEABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257287856 463762806 /nfs/dbraw/zinc/76/28/06/463762806.db2.gz PRTKTWJYZLUXHN-CYBMUJFWSA-N 1 2 335.429 2.295 40 0 EEABLO CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000257318482 463775775 /nfs/dbraw/zinc/77/57/75/463775775.db2.gz VOCSFBJNJGXPNC-MRXNPFEDSA-N 1 2 334.379 2.343 40 0 EEABLO O=C(CC[NH2+][C@@H](c1ccc(F)cc1)c1ncccn1)N1CCCC1 ZINC000195560580 464076371 /nfs/dbraw/zinc/07/63/71/464076371.db2.gz XPHDVAUZGYWEMH-KRWDZBQOSA-N 1 2 328.391 2.307 40 0 EEABLO Cc1cc(CN2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)no1 ZINC000247920002 464714557 /nfs/dbraw/zinc/71/45/57/464714557.db2.gz NRANNBXQGJWLKA-OAHLLOKOSA-N 1 2 328.416 2.471 40 0 EEABLO Cc1noc(C)c1C[NH+]1CC2(C1)CC[C@H](CNC(=O)C(C)C)CO2 ZINC000248181655 464737396 /nfs/dbraw/zinc/73/73/96/464737396.db2.gz ZBDSGSDIYXHXLU-OAHLLOKOSA-N 1 2 335.448 2.045 40 0 EEABLO Cc1nc(COC[C@H]2CN(c3ncccn3)Cc3c[nH+]cn32)cs1 ZINC000306126053 466489051 /nfs/dbraw/zinc/48/90/51/466489051.db2.gz DKSSZOLETZPFLL-OAHLLOKOSA-N 1 2 342.428 2.216 40 0 EEABLO O=C(CN1CCCCCC1=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000585124099 468983059 /nfs/dbraw/zinc/98/30/59/468983059.db2.gz WZQADMBFVJSERR-KRWDZBQOSA-N 1 2 344.390 2.157 40 0 EEABLO CN(C)c1cc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc[nH+]1 ZINC000257268750 536145623 /nfs/dbraw/zinc/14/56/23/536145623.db2.gz MMZZAUFFAVZLLS-HNNXBMFYSA-N 1 2 346.456 2.111 40 0 EEABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1COc2ccccc2O1 ZINC000030862197 212713836 /nfs/dbraw/zinc/71/38/36/212713836.db2.gz GEDBVLYHSASPQM-GOSISDBHSA-N 1 2 335.363 2.329 40 0 EEABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccn2)C3)CC1 ZINC000072335636 216156825 /nfs/dbraw/zinc/15/68/25/216156825.db2.gz HIPVAAAMVSMNGM-UHFFFAOYSA-N 1 2 339.443 2.372 40 0 EEABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccn2)C3)CC1 ZINC000072335636 216156827 /nfs/dbraw/zinc/15/68/27/216156827.db2.gz HIPVAAAMVSMNGM-UHFFFAOYSA-N 1 2 339.443 2.372 40 0 EEABLO C[C@H]1CCCCN1C(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000072335723 216158040 /nfs/dbraw/zinc/15/80/40/216158040.db2.gz ZFEJHZBWOJSXSD-AWEZNQCLSA-N 1 2 340.427 2.480 40 0 EEABLO Cc1cc(Nc2ncccn2)nc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382597 216183293 /nfs/dbraw/zinc/18/32/93/216183293.db2.gz RUQMXQYRBAENDM-ZDUSSCGKSA-N 1 2 336.403 2.031 40 0 EEABLO Cc1cc(Nc2ncccn2)nc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382597 216183295 /nfs/dbraw/zinc/18/32/95/216183295.db2.gz RUQMXQYRBAENDM-ZDUSSCGKSA-N 1 2 336.403 2.031 40 0 EEABLO Cc1nc(C[N@@H+]2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)no1 ZINC000072387344 216186620 /nfs/dbraw/zinc/18/66/20/216186620.db2.gz ANPVMTVSSZZGQN-HNNXBMFYSA-N 1 2 342.447 2.223 40 0 EEABLO Cc1nc(C[N@H+]2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)no1 ZINC000072387344 216186624 /nfs/dbraw/zinc/18/66/24/216186624.db2.gz ANPVMTVSSZZGQN-HNNXBMFYSA-N 1 2 342.447 2.223 40 0 EEABLO CC(=O)N(CC[NH+]1CCN(C(C)=O)CC1)C[C@@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000020791491 212171872 /nfs/dbraw/zinc/17/18/72/212171872.db2.gz HRUBGZMAOSUVOK-QKLQHJQFSA-N 1 2 349.519 2.237 40 0 EEABLO C[N@@H+]1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H]1c1ccccc1 ZINC000257241663 244244974 /nfs/dbraw/zinc/24/49/74/244244974.db2.gz HYZXCPAVGTTYPQ-SFHVURJKSA-N 1 2 347.422 2.396 40 0 EEABLO C[N@H+]1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H]1c1ccccc1 ZINC000257241663 244244979 /nfs/dbraw/zinc/24/49/79/244244979.db2.gz HYZXCPAVGTTYPQ-SFHVURJKSA-N 1 2 347.422 2.396 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000257277861 244399296 /nfs/dbraw/zinc/39/92/96/244399296.db2.gz NZVNUQBIZSJDKB-GFCCVEGCSA-N 1 2 339.486 2.329 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000257277861 244399302 /nfs/dbraw/zinc/39/93/02/244399302.db2.gz NZVNUQBIZSJDKB-GFCCVEGCSA-N 1 2 339.486 2.329 40 0 EEABLO COc1cc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c2ccccc2n1 ZINC000080599750 217316127 /nfs/dbraw/zinc/31/61/27/217316127.db2.gz MZJCVJCHMBMVJV-ZDUSSCGKSA-N 1 2 339.399 2.328 40 0 EEABLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)n1cccn1 ZINC000270687751 256160777 /nfs/dbraw/zinc/16/07/77/256160777.db2.gz JDFPUWGFIUGYGR-HFBAOOFYSA-N 1 2 334.370 2.284 40 0 EEABLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)n1cccn1 ZINC000270687751 256160779 /nfs/dbraw/zinc/16/07/79/256160779.db2.gz JDFPUWGFIUGYGR-HFBAOOFYSA-N 1 2 334.370 2.284 40 0 EEABLO CCOCC[S@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000083954520 463568786 /nfs/dbraw/zinc/56/87/86/463568786.db2.gz ANQGCDPMXHRXCO-GOSISDBHSA-N 1 2 331.235 2.382 40 0 EEABLO Cc1cc(C)n(-c2ccc(N3CCN(c4c[nH+]ccc4C)CC3)nn2)n1 ZINC000329291218 465289685 /nfs/dbraw/zinc/28/96/85/465289685.db2.gz IRNHXCWPSJWSFG-UHFFFAOYSA-N 1 2 349.442 2.309 40 0 EEABLO CN(c1nc(N)c2ccccc2[nH+]1)C1CCN(c2ncccn2)CC1 ZINC000095449390 463086893 /nfs/dbraw/zinc/08/68/93/463086893.db2.gz JXIXFPXTWUCGDP-UHFFFAOYSA-N 1 2 335.415 2.107 40 0 EEABLO Cn1cccc1C(=O)N1CCN(Cc2cccnc2)c2[nH+]cccc2C1 ZINC000096198945 463204838 /nfs/dbraw/zinc/20/48/38/463204838.db2.gz ZMTDDNYJASPUFI-UHFFFAOYSA-N 1 2 347.422 2.478 40 0 EEABLO Cc1ccc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3[C@H]2C)cn1 ZINC000096201261 463206102 /nfs/dbraw/zinc/20/61/02/463206102.db2.gz QNXINUXCJLCRJP-CQSZACIVSA-N 1 2 336.399 2.048 40 0 EEABLO Cc1nc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cs1 ZINC000096207108 463209812 /nfs/dbraw/zinc/20/98/12/463209812.db2.gz XJJUYZBOUQOTHX-AWEZNQCLSA-N 1 2 346.456 2.347 40 0 EEABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@]2(CCCN(c3nncs3)C2)C1 ZINC000096226617 463220834 /nfs/dbraw/zinc/22/08/34/463220834.db2.gz AHLKBJUPPJLFJO-INIZCTEOSA-N 1 2 349.460 2.014 40 0 EEABLO Cc1noc(C)c1C[N@H+]1CCO[C@@]2(CCCN(c3nncs3)C2)C1 ZINC000096226617 463220836 /nfs/dbraw/zinc/22/08/36/463220836.db2.gz AHLKBJUPPJLFJO-INIZCTEOSA-N 1 2 349.460 2.014 40 0 EEABLO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4nccn4C)C3)CC2=O)s1 ZINC000096239333 463224316 /nfs/dbraw/zinc/22/43/16/463224316.db2.gz IJUKBDIOJHKVSP-KRWDZBQOSA-N 1 2 330.457 2.419 40 0 EEABLO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4nccn4C)C3)CC2=O)s1 ZINC000096239333 463224320 /nfs/dbraw/zinc/22/43/20/463224320.db2.gz IJUKBDIOJHKVSP-KRWDZBQOSA-N 1 2 330.457 2.419 40 0 EEABLO O=C(CCc1nc(C2CC2)no1)NCc1ccccc1-n1cc[nH+]c1 ZINC000096417839 463250574 /nfs/dbraw/zinc/25/05/74/463250574.db2.gz NYIPLCGWCVESAL-UHFFFAOYSA-N 1 2 337.383 2.382 40 0 EEABLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000096435219 463263278 /nfs/dbraw/zinc/26/32/78/463263278.db2.gz UFWBGUJGNXUMHS-UHFFFAOYSA-N 1 2 331.445 2.295 40 0 EEABLO C[C@H]([NH2+]Cc1nc(CS(C)(=O)=O)no1)c1ccc(F)c(Cl)c1 ZINC000096491157 463286367 /nfs/dbraw/zinc/28/63/67/463286367.db2.gz RYYHYMXMOYMOBJ-QMMMGPOBSA-N 1 2 347.799 2.258 40 0 EEABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2nccn2C)CC1 ZINC000096503170 463293227 /nfs/dbraw/zinc/29/32/27/463293227.db2.gz MVHKOOXHWHXKAK-AWEZNQCLSA-N 1 2 347.488 2.113 40 0 EEABLO COc1ccc(OC)c([C@@H](C)Nc2nc[nH+]c3c2NC(=O)CN3)c1 ZINC000041121488 463468097 /nfs/dbraw/zinc/46/80/97/463468097.db2.gz OBEBRFNRQARCDF-SECBINFHSA-N 1 2 329.360 2.031 40 0 EEABLO COc1ccc(OC)c([C@@H](C)Nc2[nH+]cnc3c2NC(=O)CN3)c1 ZINC000041121488 463468098 /nfs/dbraw/zinc/46/80/98/463468098.db2.gz OBEBRFNRQARCDF-SECBINFHSA-N 1 2 329.360 2.031 40 0 EEABLO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)N1CC1CCOCC1 ZINC000107205646 463560837 /nfs/dbraw/zinc/56/08/37/463560837.db2.gz NPDRZRHZTXLRBE-GJZGRUSLSA-N 1 2 335.473 2.135 40 0 EEABLO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)N1CC1CCOCC1 ZINC000107205646 463560840 /nfs/dbraw/zinc/56/08/40/463560840.db2.gz NPDRZRHZTXLRBE-GJZGRUSLSA-N 1 2 335.473 2.135 40 0 EEABLO c1ccc(N2CC[NH+](Cc3cnc([C@@H]4CCCCO4)nc3)CC2)nc1 ZINC000257306044 463770670 /nfs/dbraw/zinc/77/06/70/463770670.db2.gz SSQULAVLHYHVRL-KRWDZBQOSA-N 1 2 339.443 2.435 40 0 EEABLO Cc1cc(C)n(CCCC(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257327488 463779477 /nfs/dbraw/zinc/77/94/77/463779477.db2.gz XBNUFOSVQQLUFB-INIZCTEOSA-N 1 2 329.448 2.338 40 0 EEABLO COc1ccccc1[C@@H]1CN(Cc2[nH]c[nH+]c2C)CCN1C(C)=O ZINC000257333207 463781698 /nfs/dbraw/zinc/78/16/98/463781698.db2.gz YAQKBJCOYAUDBB-KRWDZBQOSA-N 1 2 328.416 2.132 40 0 EEABLO CNc1cc([C@@H]2CCCN2C(=O)CCc2cnn(C)c2C)cc[nH+]1 ZINC000257334013 463782564 /nfs/dbraw/zinc/78/25/64/463782564.db2.gz YEDKMVKVAZRYLH-INIZCTEOSA-N 1 2 327.432 2.462 40 0 EEABLO CN(C(=O)Cc1ccsc1)[C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257333883 463783034 /nfs/dbraw/zinc/78/30/34/463783034.db2.gz YDMWVTRZDCXPGI-BFYDXBDKSA-N 1 2 333.457 2.490 40 0 EEABLO Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257339003 463784631 /nfs/dbraw/zinc/78/46/31/463784631.db2.gz YZVBNLKWVGPASD-INIZCTEOSA-N 1 2 327.432 2.325 40 0 EEABLO Nc1[nH+]cnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1Cl ZINC000225480512 464163967 /nfs/dbraw/zinc/16/39/67/464163967.db2.gz YLOFFABJZMIYHG-LBPRGKRZSA-N 1 2 345.834 2.359 40 0 EEABLO Nc1nc[nH+]c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1Cl ZINC000225480512 464163970 /nfs/dbraw/zinc/16/39/70/464163970.db2.gz YLOFFABJZMIYHG-LBPRGKRZSA-N 1 2 345.834 2.359 40 0 EEABLO CCOc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1CO ZINC000281299345 464405143 /nfs/dbraw/zinc/40/51/43/464405143.db2.gz RFRROKHPYIKXHV-UHFFFAOYSA-N 1 2 342.386 2.493 40 0 EEABLO O=C(C1CC=CC1)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000247802688 464707662 /nfs/dbraw/zinc/70/76/62/464707662.db2.gz GWAMCNSOKCUQBX-INIZCTEOSA-N 1 2 327.428 2.467 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)o1 ZINC000248128561 464732837 /nfs/dbraw/zinc/73/28/37/464732837.db2.gz XQUNVHVWEAFETH-WMLDXEAASA-N 1 2 332.425 2.093 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)o1 ZINC000248128561 464732838 /nfs/dbraw/zinc/73/28/38/464732838.db2.gz XQUNVHVWEAFETH-WMLDXEAASA-N 1 2 332.425 2.093 40 0 EEABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1c(C)noc1C)[C@H]2C ZINC000585098668 468967388 /nfs/dbraw/zinc/96/73/88/468967388.db2.gz WMBUBJDBFHEBAU-LBPRGKRZSA-N 1 2 332.404 2.284 40 0 EEABLO CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585279320 469006561 /nfs/dbraw/zinc/00/65/61/469006561.db2.gz KDTUWASUUVIGBD-SJLPKXTDSA-N 1 2 327.428 2.367 40 0 EEABLO COc1cccc([C@@H]2CO[C@]3(C2)C[N@@H+](Cc2cc[nH]n2)C[C@H]3OC)c1 ZINC000585291741 469012380 /nfs/dbraw/zinc/01/23/80/469012380.db2.gz SOGDWGZQIRSEKZ-KFKAGJAMSA-N 1 2 343.427 2.192 40 0 EEABLO COc1cccc([C@@H]2CO[C@]3(C2)C[N@H+](Cc2cc[nH]n2)C[C@H]3OC)c1 ZINC000585291741 469012384 /nfs/dbraw/zinc/01/23/84/469012384.db2.gz SOGDWGZQIRSEKZ-KFKAGJAMSA-N 1 2 343.427 2.192 40 0 EEABLO CC(=O)NCCC[N@@H+]1CCc2onc(Nc3cccc(F)c3)c2C1 ZINC000072352955 216161837 /nfs/dbraw/zinc/16/18/37/216161837.db2.gz XUXLZVHVOBKVNN-UHFFFAOYSA-N 1 2 332.379 2.442 40 0 EEABLO CC(=O)NCCC[N@H+]1CCc2onc(Nc3cccc(F)c3)c2C1 ZINC000072352955 216161840 /nfs/dbraw/zinc/16/18/40/216161840.db2.gz XUXLZVHVOBKVNN-UHFFFAOYSA-N 1 2 332.379 2.442 40 0 EEABLO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)n1 ZINC000072378059 216179530 /nfs/dbraw/zinc/17/95/30/216179530.db2.gz YAADORWEBJGNTC-CYBMUJFWSA-N 1 2 336.403 2.113 40 0 EEABLO c1c[nH]c(C[N@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)n1 ZINC000072378059 216179533 /nfs/dbraw/zinc/17/95/33/216179533.db2.gz YAADORWEBJGNTC-CYBMUJFWSA-N 1 2 336.403 2.113 40 0 EEABLO Cc1cc2c(nc3n(c2=O)CC[N@@H+](Cc2ccncc2)CC3)s1 ZINC000072397012 216193271 /nfs/dbraw/zinc/19/32/71/216193271.db2.gz DSKKTGQAKUKNAR-UHFFFAOYSA-N 1 2 326.425 2.220 40 0 EEABLO Cc1cc2c(nc3n(c2=O)CC[N@H+](Cc2ccncc2)CC3)s1 ZINC000072397012 216193274 /nfs/dbraw/zinc/19/32/74/216193274.db2.gz DSKKTGQAKUKNAR-UHFFFAOYSA-N 1 2 326.425 2.220 40 0 EEABLO CSc1nc(C2CC2)nc(C)c1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000072960886 216333190 /nfs/dbraw/zinc/33/31/90/216333190.db2.gz HNXKYHVDZIOGLP-SNVBAGLBSA-N 1 2 331.445 2.399 40 0 EEABLO CC(C)C[C@H]1COCCN1C(=O)NCCc1[nH+]ccn1C(F)F ZINC000073056384 216345215 /nfs/dbraw/zinc/34/52/15/216345215.db2.gz BCBPXNHKVQUWPK-LBPRGKRZSA-N 1 2 330.379 2.277 40 0 EEABLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000195578528 241024816 /nfs/dbraw/zinc/02/48/16/241024816.db2.gz ZEMHSSLLOUBLLF-ZDUSSCGKSA-N 1 2 342.418 2.163 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)[nH+]1 ZINC000257236177 244228794 /nfs/dbraw/zinc/22/87/94/244228794.db2.gz HBBXNZAAKPITRX-ZDUSSCGKSA-N 1 2 331.420 2.184 40 0 EEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H](c2ccncn2)C1 ZINC000257239604 244237573 /nfs/dbraw/zinc/23/75/73/244237573.db2.gz HQBWYUAQVMNBDK-HNNXBMFYSA-N 1 2 335.411 2.381 40 0 EEABLO Nc1nccnc1[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257247026 244260168 /nfs/dbraw/zinc/26/01/68/244260168.db2.gz IXBHCLHGOKLEQN-GFCCVEGCSA-N 1 2 342.428 2.084 40 0 EEABLO Nc1nccnc1[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257247026 244260176 /nfs/dbraw/zinc/26/01/76/244260176.db2.gz IXBHCLHGOKLEQN-GFCCVEGCSA-N 1 2 342.428 2.084 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@H](OC)C1 ZINC000257256481 244284244 /nfs/dbraw/zinc/28/42/44/244284244.db2.gz KLRJBHWZNXAJOR-IEBWSBKVSA-N 1 2 348.443 2.212 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@H](OC)C1 ZINC000257256481 244284249 /nfs/dbraw/zinc/28/42/49/244284249.db2.gz KLRJBHWZNXAJOR-IEBWSBKVSA-N 1 2 348.443 2.212 40 0 EEABLO CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000078113717 217023994 /nfs/dbraw/zinc/02/39/94/217023994.db2.gz CIUFEWKGOSAUSE-GOSISDBHSA-N 1 2 325.412 2.336 40 0 EEABLO CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000078113717 217023997 /nfs/dbraw/zinc/02/39/97/217023997.db2.gz CIUFEWKGOSAUSE-GOSISDBHSA-N 1 2 325.412 2.336 40 0 EEABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)c3ccnn3C)C2)c2sccn12 ZINC000019240775 212008299 /nfs/dbraw/zinc/00/82/99/212008299.db2.gz HRKUVJFOIILNPF-GFCCVEGCSA-N 1 2 329.429 2.458 40 0 EEABLO O[C@@H](C[NH+]1CCN(CC(F)(F)C(F)F)CC1)c1cccc(F)c1 ZINC000079311789 217207389 /nfs/dbraw/zinc/20/73/89/217207389.db2.gz WMKKJORXXKZRLL-ZDUSSCGKSA-N 1 2 338.320 2.377 40 0 EEABLO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000079351774 217212861 /nfs/dbraw/zinc/21/28/61/217212861.db2.gz JFLYSOSYYFAMHM-OCCSQVGLSA-N 1 2 344.390 2.437 40 0 EEABLO Cc1ccc(C(=O)N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)o1 ZINC000095442053 218386338 /nfs/dbraw/zinc/38/63/38/218386338.db2.gz DQWDNJXBXXIKOH-UHFFFAOYSA-N 1 2 341.415 2.162 40 0 EEABLO Cc1ccc(C(=O)N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)o1 ZINC000095442053 218386339 /nfs/dbraw/zinc/38/63/39/218386339.db2.gz DQWDNJXBXXIKOH-UHFFFAOYSA-N 1 2 341.415 2.162 40 0 EEABLO COC[C@@H]1CN(C(=O)c2cscn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045072 277253874 /nfs/dbraw/zinc/25/38/74/277253874.db2.gz WLKIAKJIRPKMRY-LBPRGKRZSA-N 1 2 332.429 2.136 40 0 EEABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)cs1 ZINC000096108141 293267017 /nfs/dbraw/zinc/26/70/17/293267017.db2.gz ZOULVWKGNIWWNL-XJKSGUPXSA-N 1 2 347.440 2.018 40 0 EEABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)cs1 ZINC000096108141 293267018 /nfs/dbraw/zinc/26/70/18/293267018.db2.gz ZOULVWKGNIWWNL-XJKSGUPXSA-N 1 2 347.440 2.018 40 0 EEABLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc3cc(F)ccc3o2)C[C@@H]1C ZINC000097232646 323321431 /nfs/dbraw/zinc/32/14/31/323321431.db2.gz NQNHCWGPMIHRLG-LBPRGKRZSA-N 1 2 348.374 2.281 40 0 EEABLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc3cc(F)ccc3o2)C[C@@H]1C ZINC000097232646 323321432 /nfs/dbraw/zinc/32/14/32/323321432.db2.gz NQNHCWGPMIHRLG-LBPRGKRZSA-N 1 2 348.374 2.281 40 0 EEABLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(CCn2cncn2)CC1 ZINC000075833051 462763256 /nfs/dbraw/zinc/76/32/56/462763256.db2.gz AKEHZHTZZWPFDL-QGZVFWFLSA-N 1 2 335.402 2.325 40 0 EEABLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CCn2cncn2)CC1 ZINC000075833050 462763269 /nfs/dbraw/zinc/76/32/69/462763269.db2.gz AKEHZHTZZWPFDL-KRWDZBQOSA-N 1 2 335.402 2.325 40 0 EEABLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1COc2ccccc2C1 ZINC000077462880 462990392 /nfs/dbraw/zinc/99/03/92/462990392.db2.gz UCDYOPOHDWJDPD-INIZCTEOSA-N 1 2 334.379 2.135 40 0 EEABLO c1csc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048344 463151697 /nfs/dbraw/zinc/15/16/97/463151697.db2.gz IIUIXBJWAOMLND-CJNGLKHVSA-N 1 2 331.445 2.169 40 0 EEABLO c1csc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048344 463151704 /nfs/dbraw/zinc/15/17/04/463151704.db2.gz IIUIXBJWAOMLND-CJNGLKHVSA-N 1 2 331.445 2.169 40 0 EEABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000096090577 463170078 /nfs/dbraw/zinc/17/00/78/463170078.db2.gz HHUPDTIYRFEZLU-CRAIPNDOSA-N 1 2 346.427 2.331 40 0 EEABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000096090577 463170081 /nfs/dbraw/zinc/17/00/81/463170081.db2.gz HHUPDTIYRFEZLU-CRAIPNDOSA-N 1 2 346.427 2.331 40 0 EEABLO Cc1ccnc(OC[C@@H]2Cn3c[nH+]cc3CN(Cc3ccoc3)C2)n1 ZINC000096219903 463217710 /nfs/dbraw/zinc/21/77/10/463217710.db2.gz WHUORZLVAQMFSC-INIZCTEOSA-N 1 2 339.399 2.286 40 0 EEABLO CC(=O)N1CCC2(CC1)c1ncc(-c3ccc(F)cc3)n1CC[N@H+]2C ZINC000096263347 463231033 /nfs/dbraw/zinc/23/10/33/463231033.db2.gz DANVRUXLHMKNQP-UHFFFAOYSA-N 1 2 342.418 2.472 40 0 EEABLO CC(=O)N1CCC2(CC1)c1ncc(-c3ccc(F)cc3)n1CC[N@@H+]2C ZINC000096263347 463231041 /nfs/dbraw/zinc/23/10/41/463231041.db2.gz DANVRUXLHMKNQP-UHFFFAOYSA-N 1 2 342.418 2.472 40 0 EEABLO Cc1cnn(CCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000096413894 463245911 /nfs/dbraw/zinc/24/59/11/463245911.db2.gz GKVBPDMIYCBSLM-UHFFFAOYSA-N 1 2 342.443 2.361 40 0 EEABLO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000096417567 463249480 /nfs/dbraw/zinc/24/94/80/463249480.db2.gz MXGZOCODQINMMG-JKSUJKDBSA-N 1 2 343.814 2.262 40 0 EEABLO Cc1ncsc1CNc1ccc(N2CCC[C@H](C(N)=O)C2)[nH+]c1 ZINC000096483179 463280861 /nfs/dbraw/zinc/28/08/61/463280861.db2.gz PGVSVCADQNFIKB-LBPRGKRZSA-N 1 2 331.445 2.160 40 0 EEABLO CNC(=O)[C@H](NC(=O)Cn1cc[nH+]c1-c1ccccc1)c1ccccc1 ZINC000096494598 463289455 /nfs/dbraw/zinc/28/94/55/463289455.db2.gz MOXKOZDFHHGPPB-GOSISDBHSA-N 1 2 348.406 2.154 40 0 EEABLO Cc1nc(N2CCN(C(=O)NCCCCC(F)(F)F)CC2)cc[nH+]1 ZINC000097376490 463356588 /nfs/dbraw/zinc/35/65/88/463356588.db2.gz 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ZINC000223718977 464147190 /nfs/dbraw/zinc/14/71/90/464147190.db2.gz TXRDVKULYRKCDV-UHFFFAOYSA-N 1 2 349.456 2.139 40 0 EEABLO COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC000225516004 464167609 /nfs/dbraw/zinc/16/76/09/464167609.db2.gz LCFRZSLYQVQHNR-CQSZACIVSA-N 1 2 325.412 2.417 40 0 EEABLO COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC000225516004 464167617 /nfs/dbraw/zinc/16/76/17/464167617.db2.gz LCFRZSLYQVQHNR-CQSZACIVSA-N 1 2 325.412 2.417 40 0 EEABLO CCO[C@@H](C)c1nc(CN(C)c2nc3c(cnn3C)c(N)[nH+]2)cs1 ZINC000225512825 464168234 /nfs/dbraw/zinc/16/82/34/464168234.db2.gz LFWYOGDFNAQNSI-VIFPVBQESA-N 1 2 347.448 2.136 40 0 EEABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000175478590 464558329 /nfs/dbraw/zinc/55/83/29/464558329.db2.gz PDDSFHINBNQRSP-CYBMUJFWSA-N 1 2 349.460 2.279 40 0 EEABLO CCn1cc(C[NH+]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)c(C)n1 ZINC000248004217 464722768 /nfs/dbraw/zinc/72/27/68/464722768.db2.gz GRUYFDNHGQDMER-PIIMJCKOSA-N 1 2 330.476 2.292 40 0 EEABLO Cc1cc(C(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)c(C)o1 ZINC000306124450 466487779 /nfs/dbraw/zinc/48/77/79/466487779.db2.gz BPVYPUWFOYFMEA-USXIJHARSA-N 1 2 341.411 2.491 40 0 EEABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COc2ccccn2)no1 ZINC000585094716 468963102 /nfs/dbraw/zinc/96/31/02/468963102.db2.gz ITCGJOSMILEXMV-OAHLLOKOSA-N 1 2 339.399 2.117 40 0 EEABLO CCCCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccs2)C1 ZINC000585096132 468964611 /nfs/dbraw/zinc/96/46/11/468964611.db2.gz TWKHUUVYWWQINB-HNNXBMFYSA-N 1 2 346.456 2.335 40 0 EEABLO CC(C)CC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccs2)C1 ZINC000585095945 468964751 /nfs/dbraw/zinc/96/47/51/468964751.db2.gz FZUXLMJEHDRLSA-HNNXBMFYSA-N 1 2 346.456 2.190 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585276204 469000417 /nfs/dbraw/zinc/00/04/17/469000417.db2.gz LBNDTIWWKVCPGF-AEFFLSMTSA-N 1 2 345.418 2.255 40 0 EEABLO COc1cccc([C@H]2CO[C@]3(C2)C[N@H+](Cc2cc(C)on2)C[C@H]3O)c1 ZINC000585292034 469011159 /nfs/dbraw/zinc/01/11/59/469011159.db2.gz WDHOXIXTZWOQLB-ATZDWAIDSA-N 1 2 344.411 2.111 40 0 EEABLO COc1cccc([C@H]2CO[C@]3(C2)C[N@@H+](Cc2cc(C)on2)C[C@H]3O)c1 ZINC000585292034 469011165 /nfs/dbraw/zinc/01/11/65/469011165.db2.gz WDHOXIXTZWOQLB-ATZDWAIDSA-N 1 2 344.411 2.111 40 0 EEABLO CC(C)(C)C[N@@H+]1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257211587 534604347 /nfs/dbraw/zinc/60/43/47/534604347.db2.gz BZKWARJLSMWQIU-CQSZACIVSA-N 1 2 328.420 2.430 40 0 EEABLO CC(C)(C)C[N@H+]1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257211587 534604351 /nfs/dbraw/zinc/60/43/51/534604351.db2.gz BZKWARJLSMWQIU-CQSZACIVSA-N 1 2 328.420 2.430 40 0 EEABLO CCCCc1[nH]c(CN2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)c[nH+]1 ZINC000257237253 535102351 /nfs/dbraw/zinc/10/23/51/535102351.db2.gz HFTLVLRJYZEDFI-OAHLLOKOSA-N 1 2 331.420 2.130 40 0 EEABLO CCCCc1[nH]cc(CN2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)[nH+]1 ZINC000257237253 535102354 /nfs/dbraw/zinc/10/23/54/535102354.db2.gz HFTLVLRJYZEDFI-OAHLLOKOSA-N 1 2 331.420 2.130 40 0 EEABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1c1ccccc1 ZINC000257259971 535426860 /nfs/dbraw/zinc/42/68/60/535426860.db2.gz LAUYYQCSGCXKRX-AEFFLSMTSA-N 1 2 340.427 2.068 40 0 EEABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1c1ccccc1 ZINC000257259971 535426867 /nfs/dbraw/zinc/42/68/67/535426867.db2.gz LAUYYQCSGCXKRX-AEFFLSMTSA-N 1 2 340.427 2.068 40 0 EEABLO O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020493938 212140167 /nfs/dbraw/zinc/14/01/67/212140167.db2.gz KGLVIMQUKMJOGD-UAGQMJEPSA-N 1 2 342.439 2.496 40 0 EEABLO Cc1cnc(NCC[C@H]2CCOC23C[NH+](Cc2ccco2)C3)nc1 ZINC000253600514 244033704 /nfs/dbraw/zinc/03/37/04/244033704.db2.gz PSDLIHUDCGHDIE-HNNXBMFYSA-N 1 2 328.416 2.471 40 0 EEABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2cncc(C)n2)CCO3)o1 ZINC000253601676 244034531 /nfs/dbraw/zinc/03/45/31/244034531.db2.gz VSPHGRJDNVVBHT-OAHLLOKOSA-N 1 2 329.400 2.499 40 0 EEABLO CNc1cc([C@H]2CCCN(C(=O)CCc3cc(OC)no3)C2)cc[nH+]1 ZINC000257205202 244129590 /nfs/dbraw/zinc/12/95/90/244129590.db2.gz AYBFNVIWQNFTNU-AWEZNQCLSA-N 1 2 344.415 2.459 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[nH+]1 ZINC000257211153 244150439 /nfs/dbraw/zinc/15/04/39/244150439.db2.gz BXRZEARANLSZAQ-GFCCVEGCSA-N 1 2 325.459 2.358 40 0 EEABLO C[C@@]1(C(=O)N2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)CCCO1 ZINC000019461219 212031114 /nfs/dbraw/zinc/03/11/14/212031114.db2.gz RJRVSTKNYNCLAU-BEFAXECRSA-N 1 2 330.428 2.018 40 0 EEABLO Cc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)n2C)cc1 ZINC000019211088 212004206 /nfs/dbraw/zinc/00/42/06/212004206.db2.gz UDBCQFCBPGGYDU-UHFFFAOYSA-N 1 2 348.472 2.127 40 0 EEABLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccccc1Oc1cccnc1 ZINC000078922988 217149094 /nfs/dbraw/zinc/14/90/94/217149094.db2.gz ABXKMMTYNBGHSX-UHFFFAOYSA-N 1 2 341.411 2.165 40 0 EEABLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccccc1Oc1cccnc1 ZINC000078922988 217149096 /nfs/dbraw/zinc/14/90/96/217149096.db2.gz ABXKMMTYNBGHSX-UHFFFAOYSA-N 1 2 341.411 2.165 40 0 EEABLO Cc1occc1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CC2)C1 ZINC000096044911 218531098 /nfs/dbraw/zinc/53/10/98/218531098.db2.gz BKAQSKKQKJAUAT-CQSZACIVSA-N 1 2 329.400 2.488 40 0 EEABLO CC(C)(C)n1ncnc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000330032927 258002380 /nfs/dbraw/zinc/00/23/80/258002380.db2.gz UYQGINHILFKQAX-UHFFFAOYSA-N 1 2 343.475 2.372 40 0 EEABLO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000225401021 280303849 /nfs/dbraw/zinc/30/38/49/280303849.db2.gz GVGKSTHOYNYQAX-WMZOPIPTSA-N 1 2 330.428 2.067 40 0 EEABLO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000225401021 280303851 /nfs/dbraw/zinc/30/38/51/280303851.db2.gz GVGKSTHOYNYQAX-WMZOPIPTSA-N 1 2 330.428 2.067 40 0 EEABLO CCCCC1(CC[N@H+](CC)c2ccccc2)C(=O)NC(=O)NC1=O ZINC000001760317 462586976 /nfs/dbraw/zinc/58/69/76/462586976.db2.gz XMXGEDNCQPCYBX-UHFFFAOYSA-N 1 2 331.416 2.446 40 0 EEABLO CCCCC1(CC[N@@H+](CC)c2ccccc2)C(=O)NC(=O)NC1=O ZINC000001760317 462586979 /nfs/dbraw/zinc/58/69/79/462586979.db2.gz XMXGEDNCQPCYBX-UHFFFAOYSA-N 1 2 331.416 2.446 40 0 EEABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)N1CCCCC1 ZINC000012142777 462844710 /nfs/dbraw/zinc/84/47/10/462844710.db2.gz NADCBJZWDVYLMF-UHFFFAOYSA-N 1 2 326.400 2.091 40 0 EEABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](c4ccnc(N(C)C)n4)O[C@@H]3C2)no1 ZINC000096046387 463149933 /nfs/dbraw/zinc/14/99/33/463149933.db2.gz IIBZBSMKBYETAK-RRQGHBQHSA-N 1 2 343.431 2.191 40 0 EEABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccnc(N(C)C)n4)O[C@@H]3C2)no1 ZINC000096046387 463149939 /nfs/dbraw/zinc/14/99/39/463149939.db2.gz IIBZBSMKBYETAK-RRQGHBQHSA-N 1 2 343.431 2.191 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC000096055291 463157799 /nfs/dbraw/zinc/15/77/99/463157799.db2.gz CEAHPMNCCSPHRP-CEXWTWQISA-N 1 2 342.443 2.011 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC000096055291 463157802 /nfs/dbraw/zinc/15/78/02/463157802.db2.gz CEAHPMNCCSPHRP-CEXWTWQISA-N 1 2 342.443 2.011 40 0 EEABLO CC(C)NC(=O)N1Cc2[nH+]ccn2C[C@@H](COCc2cccnc2)C1 ZINC000096188096 463200654 /nfs/dbraw/zinc/20/06/54/463200654.db2.gz ONJLPFJFHHMBIR-MRXNPFEDSA-N 1 2 343.431 2.045 40 0 EEABLO C[C@]1(C(=O)NCCCn2cc[nH+]c2)CC(c2cccc(F)c2)=NO1 ZINC000096193000 463201665 /nfs/dbraw/zinc/20/16/65/463201665.db2.gz VIFRBSVKJSEQIG-QGZVFWFLSA-N 1 2 330.363 2.112 40 0 EEABLO O=C(c1ccoc1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202256 463207165 /nfs/dbraw/zinc/20/71/65/463207165.db2.gz DKVAFLXJHPOILF-SFHVURJKSA-N 1 2 327.384 2.044 40 0 EEABLO Cc1ccnc(OC[C@H]2Cn3c[nH+]cc3CN(Cc3ccoc3)C2)n1 ZINC000096219905 463217479 /nfs/dbraw/zinc/21/74/79/463217479.db2.gz WHUORZLVAQMFSC-MRXNPFEDSA-N 1 2 339.399 2.286 40 0 EEABLO O=C(N1CCCC1)N1CCC2(C[C@@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221377 463218247 /nfs/dbraw/zinc/21/82/47/463218247.db2.gz ZJCCLORZNRNTRF-OAHLLOKOSA-N 1 2 330.432 2.333 40 0 EEABLO COC(C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1)OC ZINC000136748785 463257027 /nfs/dbraw/zinc/25/70/27/463257027.db2.gz SUGFCBJVPYGRPA-CYBMUJFWSA-N 1 2 330.222 2.441 40 0 EEABLO COC(C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1)OC ZINC000136748785 463257034 /nfs/dbraw/zinc/25/70/34/463257034.db2.gz SUGFCBJVPYGRPA-CYBMUJFWSA-N 1 2 330.222 2.441 40 0 EEABLO CS(=O)(=O)CCN(Cc1cccnc1)c1[nH]c2ccccc2[nH+]1 ZINC000096435790 463263516 /nfs/dbraw/zinc/26/35/16/463263516.db2.gz BAUMYOCBQDAOKQ-UHFFFAOYSA-N 1 2 330.413 2.009 40 0 EEABLO NC(=O)[C@@H]([NH2+]Cc1cccnc1)c1ccc(Br)cc1F ZINC000096436807 463265120 /nfs/dbraw/zinc/26/51/20/463265120.db2.gz FYEHGOSCLBSCII-ZDUSSCGKSA-N 1 2 338.180 2.299 40 0 EEABLO COc1cccc([C@H](O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000096487097 463285392 /nfs/dbraw/zinc/28/53/92/463285392.db2.gz FXMOKMIMPDJEQM-KRWDZBQOSA-N 1 2 339.395 2.044 40 0 EEABLO O=C(N[C@@H]1COc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000097096527 463322983 /nfs/dbraw/zinc/32/29/83/463322983.db2.gz XCEFOOBAHOMFCG-QGZVFWFLSA-N 1 2 338.411 2.043 40 0 EEABLO Cc1nc(N2CCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)CC2)cc[nH+]1 ZINC000097376473 463356984 /nfs/dbraw/zinc/35/69/84/463356984.db2.gz QPVPICDSHMMKIR-IAGOWNOFSA-N 1 2 337.427 2.173 40 0 EEABLO CC(C)c1cc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)n(C)n1 ZINC000085262854 463642212 /nfs/dbraw/zinc/64/22/12/463642212.db2.gz NMQNDHLPUWYEDH-UHFFFAOYSA-N 1 2 349.504 2.183 40 0 EEABLO C[C@H]1C[NH+](CC(=O)NCCc2nc3ccccc3s2)C[C@H](C)O1 ZINC000044871488 463697252 /nfs/dbraw/zinc/69/72/52/463697252.db2.gz OHQJSBIAIICKMO-STQMWFEESA-N 1 2 333.457 2.064 40 0 EEABLO CN(C(=O)Cn1cc(Cl)cn1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257282259 463759398 /nfs/dbraw/zinc/75/93/98/463759398.db2.gz OTBAUTBBESIHEJ-AWEZNQCLSA-N 1 2 333.823 2.059 40 0 EEABLO CCOC(=O)c1cccc(NC(=S)NCCCn2cc[nH+]c2)c1 ZINC000225521423 464167590 /nfs/dbraw/zinc/16/75/90/464167590.db2.gz QRKIOZYJAARHCF-UHFFFAOYSA-N 1 2 332.429 2.437 40 0 EEABLO O=C1[C@@H]([N@H+](CCO)Cc2cccnc2)CCN1c1ccccc1Cl ZINC000241470689 464452960 /nfs/dbraw/zinc/45/29/60/464452960.db2.gz NXAVVXLCZDLZDT-KRWDZBQOSA-N 1 2 345.830 2.335 40 0 EEABLO O=C1[C@@H]([N@@H+](CCO)Cc2cccnc2)CCN1c1ccccc1Cl ZINC000241470689 464452962 /nfs/dbraw/zinc/45/29/62/464452962.db2.gz NXAVVXLCZDLZDT-KRWDZBQOSA-N 1 2 345.830 2.335 40 0 EEABLO C[C@@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2C)C[C@H]1n1ccnc1 ZINC000245289624 464469696 /nfs/dbraw/zinc/46/96/96/464469696.db2.gz DBTOSCYNIITNAU-RHSMWYFYSA-N 1 2 337.427 2.213 40 0 EEABLO C[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2C)C[C@H]1n1ccnc1 ZINC000245289624 464469705 /nfs/dbraw/zinc/46/97/05/464469705.db2.gz DBTOSCYNIITNAU-RHSMWYFYSA-N 1 2 337.427 2.213 40 0 EEABLO CCOC[C@H]1CN(C(=O)c2nn(C)c3ccccc32)Cc2c[nH+]cn21 ZINC000248080900 464728119 /nfs/dbraw/zinc/72/81/19/464728119.db2.gz VHXSVSUQNWWVBB-CQSZACIVSA-N 1 2 339.399 2.003 40 0 EEABLO Cc1ccccc1C[NH+]1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O ZINC000248166298 464736827 /nfs/dbraw/zinc/73/68/27/464736827.db2.gz RMZPRHXMWNJGSV-SFHVURJKSA-N 1 2 349.496 2.411 40 0 EEABLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000192061619 464857763 /nfs/dbraw/zinc/85/77/63/464857763.db2.gz CIOZFQXCPYEKNL-CJNGLKHVSA-N 1 2 335.452 2.119 40 0 EEABLO C[C@H](O)[C@H]1CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000253369420 464993815 /nfs/dbraw/zinc/99/38/15/464993815.db2.gz CHSLOJIBSWHEOZ-BHYGNILZSA-N 1 2 342.443 2.116 40 0 EEABLO Cc1ccc(OC[C@H]2CCn3nccc3C[N@@H+]2Cc2cn[nH]c2)cn1 ZINC000585098367 468966779 /nfs/dbraw/zinc/96/67/79/468966779.db2.gz WXQKXCJGDJTYEO-QGZVFWFLSA-N 1 2 338.415 2.163 40 0 EEABLO Cc1ccc(OC[C@H]2CCn3nccc3C[N@H+]2Cc2cn[nH]c2)cn1 ZINC000585098367 468966786 /nfs/dbraw/zinc/96/67/86/468966786.db2.gz WXQKXCJGDJTYEO-QGZVFWFLSA-N 1 2 338.415 2.163 40 0 EEABLO CCCCc1[nH]c(CN2CCO[C@H](c3nccnc3NC)C2)c[nH+]1 ZINC000257203002 535103188 /nfs/dbraw/zinc/10/31/88/535103188.db2.gz AOFSVKXKHPVETL-AWEZNQCLSA-N 1 2 330.436 2.158 40 0 EEABLO CCCCc1[nH]cc(CN2CCO[C@H](c3nccnc3NC)C2)[nH+]1 ZINC000257203002 535103190 /nfs/dbraw/zinc/10/31/90/535103190.db2.gz AOFSVKXKHPVETL-AWEZNQCLSA-N 1 2 330.436 2.158 40 0 EEABLO CCn1nc(C)c2c1nc(C)cc2C(=O)NCCCn1cc[nH+]c1 ZINC000028222258 1352374038 /nfs/dbraw/zinc/37/40/38/1352374038.db2.gz BVEIPZTYHMNMPZ-UHFFFAOYSA-N 1 2 326.404 2.085 40 0 EEABLO Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000004190467 210141698 /nfs/dbraw/zinc/14/16/98/210141698.db2.gz TWSYWSNEZGWCDO-IAGOWNOFSA-N 1 2 327.432 2.346 40 0 EEABLO O=C(C[NH+]1CCN(c2nc3ccccc3s2)CC1)NC1CCCC1 ZINC000036235058 213077858 /nfs/dbraw/zinc/07/78/58/213077858.db2.gz ACPKJAGTUBYCGK-UHFFFAOYSA-N 1 2 344.484 2.477 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072369540 216176410 /nfs/dbraw/zinc/17/64/10/216176410.db2.gz PVHGRKJNHNTCBH-LLVKDONJSA-N 1 2 325.459 2.254 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000072369540 216176412 /nfs/dbraw/zinc/17/64/12/216176412.db2.gz PVHGRKJNHNTCBH-LLVKDONJSA-N 1 2 325.459 2.254 40 0 EEABLO Cc1ccc2nc3c(cc2c1)CN(CC[NH+]1CCOCC1)C(=O)O3 ZINC000072396339 216192410 /nfs/dbraw/zinc/19/24/10/216192410.db2.gz IBZIOBOCOARRNX-UHFFFAOYSA-N 1 2 327.384 2.190 40 0 EEABLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccncc1 ZINC000225779044 242031771 /nfs/dbraw/zinc/03/17/71/242031771.db2.gz DVXAUIYZNCFBJI-UHFFFAOYSA-N 1 2 342.468 2.400 40 0 EEABLO C[N@H+](CC(=O)N1CCC[C@H](Cc2cccnc2)C1)Cc1cccnc1 ZINC000257208490 244142252 /nfs/dbraw/zinc/14/22/52/244142252.db2.gz BMJVYCGWRLZPKB-GOSISDBHSA-N 1 2 338.455 2.390 40 0 EEABLO C[N@@H+](CC(=O)N1CCC[C@H](Cc2cccnc2)C1)Cc1cccnc1 ZINC000257208490 244142257 /nfs/dbraw/zinc/14/22/57/244142257.db2.gz BMJVYCGWRLZPKB-GOSISDBHSA-N 1 2 338.455 2.390 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)[nH+]1 ZINC000257257504 244288123 /nfs/dbraw/zinc/28/81/23/244288123.db2.gz KPXFBCLRHYDOKT-ZDUSSCGKSA-N 1 2 340.383 2.151 40 0 EEABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC2(CC1)CC=CCOC2 ZINC000257304419 284640886 /nfs/dbraw/zinc/64/08/86/284640886.db2.gz SLOHFVGLUHFRFE-UHFFFAOYSA-N 1 2 338.411 2.466 40 0 EEABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1cccc(F)c1 ZINC000012114430 211293527 /nfs/dbraw/zinc/29/35/27/211293527.db2.gz VBUQWUSHPFEUPS-UHFFFAOYSA-N 1 2 329.375 2.143 40 0 EEABLO Cn1ncnc1CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000096423965 218791482 /nfs/dbraw/zinc/79/14/82/218791482.db2.gz WQGPZSHESNRCMA-UHFFFAOYSA-N 1 2 341.375 2.375 40 0 EEABLO Cc1cccc(N2CC[NH+](CC(=O)NCCCOC(C)C)CC2)c1 ZINC000040017924 132397937 /nfs/dbraw/zinc/39/79/37/132397937.db2.gz RNJOYUSDCXYTHC-UHFFFAOYSA-N 1 2 333.476 2.048 40 0 EEABLO Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000257301580 301024731 /nfs/dbraw/zinc/02/47/31/301024731.db2.gz RZAREZBFYMATIB-ZDUSSCGKSA-N 1 2 341.820 2.134 40 0 EEABLO Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097379460 323323078 /nfs/dbraw/zinc/32/30/78/323323078.db2.gz YLMYWZFWBUCQEY-SFHVURJKSA-N 1 2 336.395 2.425 40 0 EEABLO CC(=O)N[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCC1 ZINC000091211738 462854674 /nfs/dbraw/zinc/85/46/74/462854674.db2.gz TYUXXZIMYPNOMB-GOSISDBHSA-N 1 2 340.427 2.183 40 0 EEABLO CCc1ncc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cn1 ZINC000155888308 462956483 /nfs/dbraw/zinc/95/64/83/462956483.db2.gz YPMCKHVEASVYQD-SFHVURJKSA-N 1 2 340.427 2.176 40 0 EEABLO O=C(C[N@@H+]1[C@@H]2CC[C@@H](C2)[C@H]1c1nc(-c2ccccc2)no1)N1CCC1 ZINC000019374390 463018216 /nfs/dbraw/zinc/01/82/16/463018216.db2.gz JQPOZDKUWZLNOL-UXLLHSPISA-N 1 2 338.411 2.494 40 0 EEABLO O=C(C[N@H+]1[C@@H]2CC[C@@H](C2)[C@H]1c1nc(-c2ccccc2)no1)N1CCC1 ZINC000019374390 463018220 /nfs/dbraw/zinc/01/82/20/463018220.db2.gz JQPOZDKUWZLNOL-UXLLHSPISA-N 1 2 338.411 2.494 40 0 EEABLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)cs1 ZINC000096040647 463145314 /nfs/dbraw/zinc/14/53/14/463145314.db2.gz TWIDKPQXBRRXFN-LESCRADOSA-N 1 2 349.500 2.347 40 0 EEABLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)cs1 ZINC000096040647 463145319 /nfs/dbraw/zinc/14/53/19/463145319.db2.gz TWIDKPQXBRRXFN-LESCRADOSA-N 1 2 349.500 2.347 40 0 EEABLO Cc1noc(C)c1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC(C)C)C1 ZINC000096044852 463148980 /nfs/dbraw/zinc/14/89/80/463148980.db2.gz KXPAOMQFNMKVHU-AWEZNQCLSA-N 1 2 346.431 2.437 40 0 EEABLO Cc1cccc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3[C@@H]2C)n1 ZINC000096062062 463161555 /nfs/dbraw/zinc/16/15/55/463161555.db2.gz JPEYQXLATOAPEV-AWEZNQCLSA-N 1 2 336.399 2.048 40 0 EEABLO O=C(c1ccco1)N1CCc2ncc(CNc3cccc[nH+]3)n2CC1 ZINC000096197115 463203164 /nfs/dbraw/zinc/20/31/64/463203164.db2.gz SODLHDMFAAPYBM-UHFFFAOYSA-N 1 2 337.383 2.182 40 0 EEABLO CC(C)NC(=O)N1CCN(Cc2ccncc2)c2[nH+]cccc2C1 ZINC000096198985 463204738 /nfs/dbraw/zinc/20/47/38/463204738.db2.gz VPUWDHBJFRMCHM-UHFFFAOYSA-N 1 2 325.416 2.417 40 0 EEABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000096244856 463225942 /nfs/dbraw/zinc/22/59/42/463225942.db2.gz UZFSBBNRIKENLA-CRAIPNDOSA-N 1 2 346.427 2.331 40 0 EEABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000096244856 463225948 /nfs/dbraw/zinc/22/59/48/463225948.db2.gz UZFSBBNRIKENLA-CRAIPNDOSA-N 1 2 346.427 2.331 40 0 EEABLO Cc1cc2c(cc1C)O[C@H](C(=O)NCCc1cn3c([nH+]1)CCCC3)C2 ZINC000096430577 463260358 /nfs/dbraw/zinc/26/03/58/463260358.db2.gz XLJDBJROFNFLRD-SFHVURJKSA-N 1 2 339.439 2.499 40 0 EEABLO O=C(NCC[NH+]1CCOCC1)Nc1ccc(F)c(Br)c1 ZINC000096435605 463263552 /nfs/dbraw/zinc/26/35/52/463263552.db2.gz UQWKPNVDPQLKBR-UHFFFAOYSA-N 1 2 346.200 2.042 40 0 EEABLO COc1cccc([C@@H](O)C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000096486933 463285025 /nfs/dbraw/zinc/28/50/25/463285025.db2.gz LHSSFFASWHOGDU-QGZVFWFLSA-N 1 2 346.452 2.135 40 0 EEABLO CN(C(=O)Cn1cc[nH+]c1-c1cncc(Br)c1)C1CC1 ZINC000096501943 463291980 /nfs/dbraw/zinc/29/19/80/463291980.db2.gz OUCOAIIETBKSGQ-UHFFFAOYSA-N 1 2 335.205 2.328 40 0 EEABLO COc1ccccc1CN1CCO[C@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257295301 463766304 /nfs/dbraw/zinc/76/63/04/463766304.db2.gz QXTYIXKHJPDTRP-KRWDZBQOSA-N 1 2 330.432 2.053 40 0 EEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cn3ccc(C(F)(F)F)n3)C2)[nH+]1 ZINC000257296470 463766739 /nfs/dbraw/zinc/76/67/39/463766739.db2.gz RCZCWRZDRGLJNI-LLVKDONJSA-N 1 2 341.337 2.340 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CC[N@@H+]2C)cc1 ZINC000257317465 463775500 /nfs/dbraw/zinc/77/55/00/463775500.db2.gz VJVKSXUWNRSMNE-SFHVURJKSA-N 1 2 342.443 2.106 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CC[N@H+]2C)cc1 ZINC000257317465 463775502 /nfs/dbraw/zinc/77/55/02/463775502.db2.gz VJVKSXUWNRSMNE-SFHVURJKSA-N 1 2 342.443 2.106 40 0 EEABLO COc1ccc(C[N@@H+]2CCC[C@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257340348 463786027 /nfs/dbraw/zinc/78/60/27/463786027.db2.gz ZFPQQMORLXQGCH-LJQANCHMSA-N 1 2 340.427 2.065 40 0 EEABLO COc1ccc(C[N@H+]2CCC[C@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257340348 463786030 /nfs/dbraw/zinc/78/60/30/463786030.db2.gz ZFPQQMORLXQGCH-LJQANCHMSA-N 1 2 340.427 2.065 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccncc1)c1ccco1 ZINC000247470387 464682741 /nfs/dbraw/zinc/68/27/41/464682741.db2.gz FEMMUBDUJPRRRE-JZXOWHBKSA-N 1 2 341.411 2.084 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccncc1)c1ccco1 ZINC000247470387 464682742 /nfs/dbraw/zinc/68/27/42/464682742.db2.gz FEMMUBDUJPRRRE-JZXOWHBKSA-N 1 2 341.411 2.084 40 0 EEABLO CC(=O)NC1CN(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)C1 ZINC000252490076 464966490 /nfs/dbraw/zinc/96/64/90/464966490.db2.gz KILQYTNGUWZMBB-CYBMUJFWSA-N 1 2 345.447 2.121 40 0 EEABLO CC[C@@H](C)n1nc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1C ZINC000331677418 466192345 /nfs/dbraw/zinc/19/23/45/466192345.db2.gz VNAMMEGVUUHGBK-GFCCVEGCSA-N 1 2 330.436 3.017 40 0 EEABLO FC(F)(F)Cc1noc(C[NH+]2CCC(Cn3cccn3)CC2)n1 ZINC000332090418 466380757 /nfs/dbraw/zinc/38/07/57/466380757.db2.gz LEOURPNTHVEZLG-UHFFFAOYSA-N 1 2 329.326 2.283 40 0 EEABLO Cn1c[nH+]c2c1C[C@@H](CNc1ncccn1)N(Cc1ccccc1)C2 ZINC000585094971 468964227 /nfs/dbraw/zinc/96/42/27/468964227.db2.gz XQKUZKBZGYDBTK-INIZCTEOSA-N 1 2 334.427 2.249 40 0 EEABLO O=C(NC[C@@H]1CCC2(C[NH+](Cc3ccoc3)C2)OC1)N1CCCC1 ZINC000585105392 468971546 /nfs/dbraw/zinc/97/15/46/468971546.db2.gz VZCWBHQXUDFZDA-HNNXBMFYSA-N 1 2 333.432 2.066 40 0 EEABLO O=C(NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)C1CC1 ZINC000585112262 468974741 /nfs/dbraw/zinc/97/47/41/468974741.db2.gz MDFSSEOHPUWBBZ-HNNXBMFYSA-N 1 2 330.457 2.418 40 0 EEABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)C1CC1 ZINC000585112262 468974749 /nfs/dbraw/zinc/97/47/49/468974749.db2.gz MDFSSEOHPUWBBZ-HNNXBMFYSA-N 1 2 330.457 2.418 40 0 EEABLO Cc1cc(CCC(N)=O)cc(C2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000072360516 216167800 /nfs/dbraw/zinc/16/78/00/216167800.db2.gz RDCCZNZDLFGPKH-UHFFFAOYSA-N 1 2 339.443 2.290 40 0 EEABLO C[C@H]1c2nc(CC(=O)NC3CCCC3)cn2CC[N@@H+]1C1CCOCC1 ZINC000253591216 291327571 /nfs/dbraw/zinc/32/75/71/291327571.db2.gz KTQNSOOFQUTXCK-AWEZNQCLSA-N 1 2 346.475 2.040 40 0 EEABLO C[C@H]1c2nc(CC(=O)NC3CCCC3)cn2CC[N@H+]1C1CCOCC1 ZINC000253591216 291327572 /nfs/dbraw/zinc/32/75/72/291327572.db2.gz KTQNSOOFQUTXCK-AWEZNQCLSA-N 1 2 346.475 2.040 40 0 EEABLO Cc1cnc(NCC[C@H]2CCOC23C[NH+](Cc2ccccn2)C3)nc1 ZINC000253600774 244035676 /nfs/dbraw/zinc/03/56/76/244035676.db2.gz YMUPSYKLCGLQLP-INIZCTEOSA-N 1 2 339.443 2.273 40 0 EEABLO Cc1nc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)no1 ZINC000097378497 219019667 /nfs/dbraw/zinc/01/96/67/219019667.db2.gz QIMZJZSFHGBUKP-NSHDSACASA-N 1 2 335.433 2.028 40 0 EEABLO CN1c2ccccc2[C@]2(NC(=[NH2+])N=C3Sc4ccccc4N32)C1=O ZINC000017070612 290322160 /nfs/dbraw/zinc/32/21/60/290322160.db2.gz USQWZGWVCUSVPL-QGZVFWFLSA-N 1 2 335.392 2.112 40 0 EEABLO O=C(c1ccc(Cl)s1)N1CC[NH+](C[C@H](O)c2ccco2)CC1 ZINC000085436786 462548009 /nfs/dbraw/zinc/54/80/09/462548009.db2.gz CINYXOYXJPQEQO-NSHDSACASA-N 1 2 340.832 2.486 40 0 EEABLO c1c2c(cc3nc4c(cc13)C[N@H+](C[C@H]1CCCO1)CCO4)OCO2 ZINC000019292532 463015652 /nfs/dbraw/zinc/01/56/52/463015652.db2.gz MERINQOTBCLHKZ-CQSZACIVSA-N 1 2 328.368 2.337 40 0 EEABLO c1c2c(cc3nc4c(cc13)C[N@@H+](C[C@H]1CCCO1)CCO4)OCO2 ZINC000019292532 463015658 /nfs/dbraw/zinc/01/56/58/463015658.db2.gz MERINQOTBCLHKZ-CQSZACIVSA-N 1 2 328.368 2.337 40 0 EEABLO CCOc1cc([C@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)ccc1OC ZINC000095534356 463107379 /nfs/dbraw/zinc/10/73/79/463107379.db2.gz HZBOCWAWNKSXTC-HNNXBMFYSA-N 1 2 325.372 2.322 40 0 EEABLO CCOc1cc([C@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)ccc1OC ZINC000095534356 463107383 /nfs/dbraw/zinc/10/73/83/463107383.db2.gz HZBOCWAWNKSXTC-HNNXBMFYSA-N 1 2 325.372 2.322 40 0 EEABLO CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2c1cnn2C ZINC000096044598 463148579 /nfs/dbraw/zinc/14/85/79/463148579.db2.gz QTBHWTIUJXPZRR-AWEZNQCLSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2c1cnn2C ZINC000096044598 463148584 /nfs/dbraw/zinc/14/85/84/463148584.db2.gz QTBHWTIUJXPZRR-AWEZNQCLSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@@H]1CN(C(=O)COc2ccc(F)cc2)Cc2[nH+]cn(C)c21 ZINC000096044840 463148965 /nfs/dbraw/zinc/14/89/65/463148965.db2.gz IWMJKMNQCKSJJP-ZDUSSCGKSA-N 1 2 347.390 2.101 40 0 EEABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@@H](COCc2ccccn2)C1 ZINC000096188153 463199927 /nfs/dbraw/zinc/19/99/27/463199927.db2.gz KMBDJQQENFSZQA-MRXNPFEDSA-N 1 2 340.427 2.253 40 0 EEABLO O=C(COc1cccc(C(F)(F)F)c1)NCCCn1cc[nH+]c1 ZINC000027935591 463209547 /nfs/dbraw/zinc/20/95/47/463209547.db2.gz BNNKMOJDRZVTFO-UHFFFAOYSA-N 1 2 327.306 2.487 40 0 EEABLO Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000096409871 463242342 /nfs/dbraw/zinc/24/23/42/463242342.db2.gz BGQRXQBRLYSUPL-UHFFFAOYSA-N 1 2 349.394 2.286 40 0 EEABLO O=S(=O)(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cncc(F)c1 ZINC000096410839 463243856 /nfs/dbraw/zinc/24/38/56/463243856.db2.gz VMCJJMXFZHZANT-UHFFFAOYSA-N 1 2 336.323 2.346 40 0 EEABLO Cc1noc(CCNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000096503143 463292322 /nfs/dbraw/zinc/29/23/22/463292322.db2.gz KEQIUPFHMOTFPA-GFCCVEGCSA-N 1 2 349.460 2.070 40 0 EEABLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000043983693 463664552 /nfs/dbraw/zinc/66/45/52/463664552.db2.gz LWVQLWFRKKOJFK-WOJGMQOQSA-N 1 2 327.344 2.272 40 0 EEABLO Cn1cc[nH+]c1[C@H](NC(=O)CCN1CCSC1=O)c1ccccc1 ZINC000044890785 463698292 /nfs/dbraw/zinc/69/82/92/463698292.db2.gz SFFFMBMZTHEYNZ-OAHLLOKOSA-N 1 2 344.440 2.185 40 0 EEABLO c1cc2c(C[C@@H]3COCC[N@H+](Cc4cscn4)C3)nccn2c1 ZINC000257313199 463773582 /nfs/dbraw/zinc/77/35/82/463773582.db2.gz URJQAXNHMWUTGM-AWEZNQCLSA-N 1 2 328.441 2.482 40 0 EEABLO c1cc2c(C[C@@H]3COCC[N@@H+](Cc4cscn4)C3)nccn2c1 ZINC000257313199 463773587 /nfs/dbraw/zinc/77/35/87/463773587.db2.gz URJQAXNHMWUTGM-AWEZNQCLSA-N 1 2 328.441 2.482 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)[nH+]1 ZINC000257324128 463778139 /nfs/dbraw/zinc/77/81/39/463778139.db2.gz WNHKJMGBSOIROA-AWEZNQCLSA-N 1 2 340.427 2.338 40 0 EEABLO Cc1cc(N2CCC3(C[C@H](Cc4cnccn4)CO3)CC2)nc[nH+]1 ZINC000257330107 463781309 /nfs/dbraw/zinc/78/13/09/463781309.db2.gz XMWHRFFTLTWJFR-HNNXBMFYSA-N 1 2 325.416 2.193 40 0 EEABLO Cc1cc(C)nc([C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000257340490 463785624 /nfs/dbraw/zinc/78/56/24/463785624.db2.gz ZGJMESZSVDSDKZ-INIZCTEOSA-N 1 2 348.410 2.304 40 0 EEABLO COc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccn2)CCO3)c1 ZINC000247886668 464712050 /nfs/dbraw/zinc/71/20/50/464712050.db2.gz LGCIWPXOUPYINQ-KRWDZBQOSA-N 1 2 341.411 2.298 40 0 EEABLO COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000249591863 464896462 /nfs/dbraw/zinc/89/64/62/464896462.db2.gz PFYMAIXJHFNOLA-GJZGRUSLSA-N 1 2 349.456 2.472 40 0 EEABLO C[C@H](CNC(=O)CCc1ccc(O)c(Cl)c1)[N@@H+]1CCOC[C@H]1C ZINC000253370740 464994776 /nfs/dbraw/zinc/99/47/76/464994776.db2.gz VIAOUGNOWVTHMG-CHWSQXEVSA-N 1 2 340.851 2.204 40 0 EEABLO C[C@H](CNC(=O)CCc1ccc(O)c(Cl)c1)[N@H+]1CCOC[C@H]1C ZINC000253370740 464994778 /nfs/dbraw/zinc/99/47/78/464994778.db2.gz VIAOUGNOWVTHMG-CHWSQXEVSA-N 1 2 340.851 2.204 40 0 EEABLO Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)no1 ZINC000253477888 465016356 /nfs/dbraw/zinc/01/63/56/465016356.db2.gz IAQMXXOVLNQJEM-AWEZNQCLSA-N 1 2 342.399 2.111 40 0 EEABLO CCOC(=O)c1csc(C2CC[NH+](Cc3nnc(C)o3)CC2)n1 ZINC000191569026 528332968 /nfs/dbraw/zinc/33/29/68/528332968.db2.gz MBTHPKXOTOMVJS-UHFFFAOYSA-N 1 2 336.417 2.391 40 0 EEABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072360410 216167165 /nfs/dbraw/zinc/16/71/65/216167165.db2.gz QIVKFOXDUUTJCL-CQSZACIVSA-N 1 2 336.403 2.379 40 0 EEABLO Cc1cc(N2CC[C@H](c3cc(Nc4ncccn4)nc(C)n3)C2)nc[nH+]1 ZINC000072382760 216182894 /nfs/dbraw/zinc/18/28/94/216182894.db2.gz JPHLHMKWKWZMMQ-AWEZNQCLSA-N 1 2 348.414 2.411 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[N@@H+]1C ZINC000257206237 244132776 /nfs/dbraw/zinc/13/27/76/244132776.db2.gz BCNLMESZXJANDN-QGZVFWFLSA-N 1 2 342.443 2.093 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[N@H+]1C ZINC000257206237 244132785 /nfs/dbraw/zinc/13/27/85/244132785.db2.gz BCNLMESZXJANDN-QGZVFWFLSA-N 1 2 342.443 2.093 40 0 EEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCn3ncc4ccccc43)C2)[nH+]1 ZINC000257201193 244120218 /nfs/dbraw/zinc/12/02/18/244120218.db2.gz AGSHWMIYADBPOF-MRXNPFEDSA-N 1 2 337.427 2.484 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)[nH+]1 ZINC000257248348 244263848 /nfs/dbraw/zinc/26/38/48/244263848.db2.gz JDFWXQFEXGDMIW-OAHLLOKOSA-N 1 2 338.415 2.365 40 0 EEABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1CCn1nc(C)c(C)c1C ZINC000019719730 212057242 /nfs/dbraw/zinc/05/72/42/212057242.db2.gz JNLDXUAYLDHKHP-UHFFFAOYSA-N 1 2 342.403 2.272 40 0 EEABLO C[N@H+](Cc1nc(CCc2ccccc2)no1)C1CCS(=O)CC1 ZINC000079463035 217228812 /nfs/dbraw/zinc/22/88/12/217228812.db2.gz XBXXRKXFZQFFKV-UHFFFAOYSA-N 1 2 333.457 2.198 40 0 EEABLO C[N@@H+](Cc1nc(CCc2ccccc2)no1)C1CCS(=O)CC1 ZINC000079463035 217228816 /nfs/dbraw/zinc/22/88/16/217228816.db2.gz XBXXRKXFZQFFKV-UHFFFAOYSA-N 1 2 333.457 2.198 40 0 EEABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCCOC)C1 ZINC000012145832 211306510 /nfs/dbraw/zinc/30/65/10/211306510.db2.gz AAINBSGCRZREMU-HNNXBMFYSA-N 1 2 344.459 2.425 40 0 EEABLO C=COCCNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000012145814 211305941 /nfs/dbraw/zinc/30/59/41/211305941.db2.gz AGXPIQBCOBKDKZ-AWEZNQCLSA-N 1 2 328.416 2.066 40 0 EEABLO C[C@@H](c1cccnc1)[NH+]1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000096424292 218792723 /nfs/dbraw/zinc/79/27/23/218792723.db2.gz WTMRDEQMGGAUET-KSSFIOAISA-N 1 2 342.418 2.126 40 0 EEABLO CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2[nH+]ccn2C(C)C)n1 ZINC000257225814 278125139 /nfs/dbraw/zinc/12/51/39/278125139.db2.gz FHXYLKLKNGFFGB-INIZCTEOSA-N 1 2 342.447 2.227 40 0 EEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(C)nc3onc(C)c32)[nH+]1 ZINC000257225458 301024552 /nfs/dbraw/zinc/02/45/52/301024552.db2.gz FGHAFLQYLLZGJF-CYBMUJFWSA-N 1 2 341.371 2.085 40 0 EEABLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000097378146 323322320 /nfs/dbraw/zinc/32/23/20/323322320.db2.gz AQZAANGYLNQPRG-OCCSQVGLSA-N 1 2 346.349 2.330 40 0 EEABLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000097378146 323322321 /nfs/dbraw/zinc/32/23/21/323322321.db2.gz AQZAANGYLNQPRG-OCCSQVGLSA-N 1 2 346.349 2.330 40 0 EEABLO O=C(NCc1ccco1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1cccs1 ZINC000015676304 462960435 /nfs/dbraw/zinc/96/04/35/462960435.db2.gz AUSCEBGHMBKJPD-INIZCTEOSA-N 1 2 342.424 2.308 40 0 biogenic,in-vitro EEABLO O=C(NCc1ccco1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1cccs1 ZINC000015676304 462960439 /nfs/dbraw/zinc/96/04/39/462960439.db2.gz AUSCEBGHMBKJPD-INIZCTEOSA-N 1 2 342.424 2.308 40 0 biogenic,in-vitro EEABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3cnc(C)cn3)[C@@H](C)C2)c1 ZINC000019238928 463016184 /nfs/dbraw/zinc/01/61/84/463016184.db2.gz FYLNIWWLDBCPSG-HNNXBMFYSA-N 1 2 340.427 2.140 40 0 EEABLO COc1cccc(C[N@H+]2CCN(C(=O)c3cnc(C)cn3)[C@@H](C)C2)c1 ZINC000019238928 463016200 /nfs/dbraw/zinc/01/62/00/463016200.db2.gz FYLNIWWLDBCPSG-HNNXBMFYSA-N 1 2 340.427 2.140 40 0 EEABLO c1csc(C[N@H+]2CC[C@@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC000096062436 463163330 /nfs/dbraw/zinc/16/33/30/463163330.db2.gz PWALRXNYIIBBQJ-SFHVURJKSA-N 1 2 344.484 2.263 40 0 EEABLO c1csc(C[N@@H+]2CC[C@@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC000096062436 463163335 /nfs/dbraw/zinc/16/33/35/463163335.db2.gz PWALRXNYIIBBQJ-SFHVURJKSA-N 1 2 344.484 2.263 40 0 EEABLO Cn1ccnc1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC000096069548 463165674 /nfs/dbraw/zinc/16/56/74/463165674.db2.gz SODOFGDQWGJERQ-QGZVFWFLSA-N 1 2 338.455 2.401 40 0 EEABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(C(=O)NCc2ccccc2)C1 ZINC000096187818 463199534 /nfs/dbraw/zinc/19/95/34/463199534.db2.gz XZNMSTDSZNGPEU-MRXNPFEDSA-N 1 2 328.416 2.261 40 0 EEABLO O=C(NC1CCCC1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187935 463200788 /nfs/dbraw/zinc/20/07/88/463200788.db2.gz PMCFRGKAJBDKCU-HNNXBMFYSA-N 1 2 332.448 2.394 40 0 EEABLO CC(C)c1cc(C(=O)N2CC[NH+](C)CC2)nc(N2CCCCCC2)n1 ZINC000096192030 463201238 /nfs/dbraw/zinc/20/12/38/463201238.db2.gz LWXATQYJPYTJRL-UHFFFAOYSA-N 1 2 345.491 2.368 40 0 EEABLO c1csc(CN2Cc3c[nH+]cn3C[C@H](COc3ccccn3)C2)n1 ZINC000096207430 463209604 /nfs/dbraw/zinc/20/96/04/463209604.db2.gz SBJVRNFQQVSZAL-CQSZACIVSA-N 1 2 341.440 2.446 40 0 EEABLO Cc1nc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cs1 ZINC000096259712 463229602 /nfs/dbraw/zinc/22/96/02/463229602.db2.gz GITVXSOJWODUPE-UHFFFAOYSA-N 1 2 334.493 2.289 40 0 EEABLO Cc1nc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cs1 ZINC000096259712 463229610 /nfs/dbraw/zinc/22/96/10/463229610.db2.gz GITVXSOJWODUPE-UHFFFAOYSA-N 1 2 334.493 2.289 40 0 EEABLO CN(C)C(=O)OCC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000158663353 463245337 /nfs/dbraw/zinc/24/53/37/463245337.db2.gz VDWMRHAAIBPHSQ-UHFFFAOYSA-N 1 2 334.342 2.306 40 0 EEABLO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1N(C)C ZINC000096472796 463278835 /nfs/dbraw/zinc/27/88/35/463278835.db2.gz WJCJNAAKNZGXMH-AWEZNQCLSA-N 1 2 348.472 2.352 40 0 EEABLO C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000058013678 463535367 /nfs/dbraw/zinc/53/53/67/463535367.db2.gz NEUAFUQVQFGNMV-LBPRGKRZSA-N 1 2 345.848 2.120 40 0 EEABLO C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000058013678 463535373 /nfs/dbraw/zinc/53/53/73/463535373.db2.gz NEUAFUQVQFGNMV-LBPRGKRZSA-N 1 2 345.848 2.120 40 0 EEABLO CC(C)(C)[C@@H]1C[N@H+](CCS(=O)(=O)Cc2ccccc2)CCO1 ZINC000279356068 464091522 /nfs/dbraw/zinc/09/15/22/464091522.db2.gz QSMDSILTCKRYBY-INIZCTEOSA-N 1 2 325.474 2.348 40 0 EEABLO CC(C)(C)[C@@H]1C[N@@H+](CCS(=O)(=O)Cc2ccccc2)CCO1 ZINC000279356068 464091528 /nfs/dbraw/zinc/09/15/28/464091528.db2.gz QSMDSILTCKRYBY-INIZCTEOSA-N 1 2 325.474 2.348 40 0 EEABLO CCCCNc1cc(N2CCO[C@@H](c3cnn(CC)c3)C2)nc(N)[nH+]1 ZINC000225473604 464163357 /nfs/dbraw/zinc/16/33/57/464163357.db2.gz AFQYHRARNBQGPR-CQSZACIVSA-N 1 2 345.451 2.065 40 0 EEABLO CCCCNc1cc(N2CCO[C@@H](c3cnn(CC)c3)C2)[nH+]c(N)n1 ZINC000225473604 464163364 /nfs/dbraw/zinc/16/33/64/464163364.db2.gz AFQYHRARNBQGPR-CQSZACIVSA-N 1 2 345.451 2.065 40 0 EEABLO COC(=O)c1ccc(C)c(NC(=S)NCCCn2cc[nH+]c2)c1 ZINC000225520886 464167447 /nfs/dbraw/zinc/16/74/47/464167447.db2.gz YCXWDGZLCPAVFX-UHFFFAOYSA-N 1 2 332.429 2.355 40 0 EEABLO CN(C)C(=O)[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247999216 464721111 /nfs/dbraw/zinc/72/11/11/464721111.db2.gz NIFHTTIPRABKII-MRXNPFEDSA-N 1 2 348.834 2.060 40 0 EEABLO CN(C)C(=O)[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247999216 464721118 /nfs/dbraw/zinc/72/11/18/464721118.db2.gz NIFHTTIPRABKII-MRXNPFEDSA-N 1 2 348.834 2.060 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cn1 ZINC000248090563 464729596 /nfs/dbraw/zinc/72/95/96/464729596.db2.gz CEAHPMNCCSPHRP-GUDVDZBRSA-N 1 2 342.443 2.011 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cn1 ZINC000248090563 464729606 /nfs/dbraw/zinc/72/96/06/464729606.db2.gz CEAHPMNCCSPHRP-GUDVDZBRSA-N 1 2 342.443 2.011 40 0 EEABLO O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000274913497 464759818 /nfs/dbraw/zinc/75/98/18/464759818.db2.gz YGMPSFODIWYXAY-GFCCVEGCSA-N 1 2 348.453 2.346 40 0 EEABLO COC(=O)[C@H](c1ccsc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000253396386 465001003 /nfs/dbraw/zinc/00/10/03/465001003.db2.gz BJPRTZVZIAVYKD-CVEARBPZSA-N 1 2 338.473 2.149 40 0 EEABLO COC(=O)c1occc1C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000253418315 465005787 /nfs/dbraw/zinc/00/57/87/465005787.db2.gz HBRIRKINJZHTPC-UHFFFAOYSA-N 1 2 334.416 2.433 40 0 EEABLO COC(=O)c1occc1C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000253418315 465005792 /nfs/dbraw/zinc/00/57/92/465005792.db2.gz HBRIRKINJZHTPC-UHFFFAOYSA-N 1 2 334.416 2.433 40 0 EEABLO Cc1cccc(COC[C@@H]2CN(c3ncccn3)Cc3c[nH+]cn32)n1 ZINC000306123420 466487581 /nfs/dbraw/zinc/48/75/81/466487581.db2.gz AMPWSSGGCWWRKH-KRWDZBQOSA-N 1 2 336.399 2.155 40 0 EEABLO Cc1cc(C[N@H+]2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)n[nH]1 ZINC000585096849 468964412 /nfs/dbraw/zinc/96/44/12/468964412.db2.gz BQSFWKRPHJMTOM-AWEZNQCLSA-N 1 2 344.463 2.073 40 0 EEABLO Cc1cc(C[N@@H+]2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)n[nH]1 ZINC000585096849 468964416 /nfs/dbraw/zinc/96/44/16/468964416.db2.gz BQSFWKRPHJMTOM-AWEZNQCLSA-N 1 2 344.463 2.073 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)n(C)n1 ZINC000585103413 468970216 /nfs/dbraw/zinc/97/02/16/468970216.db2.gz AYXPHAYKSUVXHR-QGZVFWFLSA-N 1 2 344.484 2.400 40 0 EEABLO Cn1cnc2c1[C@H](C(=O)NCC1CCC1)C[N@H+](Cc1ccsc1)C2 ZINC000585110892 468973410 /nfs/dbraw/zinc/97/34/10/468973410.db2.gz VCUPFDDNUGXZFM-OAHLLOKOSA-N 1 2 344.484 2.497 40 0 EEABLO Cn1cnc2c1[C@H](C(=O)NCC1CCC1)C[N@@H+](Cc1ccsc1)C2 ZINC000585110892 468973419 /nfs/dbraw/zinc/97/34/19/468973419.db2.gz VCUPFDDNUGXZFM-OAHLLOKOSA-N 1 2 344.484 2.497 40 0 EEABLO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000585110769 468973823 /nfs/dbraw/zinc/97/38/23/468973823.db2.gz DDFOYNHNBXGPLW-HNNXBMFYSA-N 1 2 330.407 2.183 40 0 EEABLO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000585110769 468973827 /nfs/dbraw/zinc/97/38/27/468973827.db2.gz DDFOYNHNBXGPLW-HNNXBMFYSA-N 1 2 330.407 2.183 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CNC(=O)N(C)C)C2)cc1 ZINC000585112369 468974493 /nfs/dbraw/zinc/97/44/93/468974493.db2.gz OYXGSIZQJLYKEW-KRWDZBQOSA-N 1 2 327.432 2.020 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CNC(=O)N(C)C)C2)cc1 ZINC000585112369 468974499 /nfs/dbraw/zinc/97/44/99/468974499.db2.gz OYXGSIZQJLYKEW-KRWDZBQOSA-N 1 2 327.432 2.020 40 0 EEABLO CO[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Cc1ccccc1F ZINC000585279526 469005926 /nfs/dbraw/zinc/00/59/26/469005926.db2.gz NRYBDDWAYQAXCM-WBVHZDCISA-N 1 2 331.391 2.128 40 0 EEABLO Cc1ccccc1C[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1O ZINC000585288440 469009402 /nfs/dbraw/zinc/00/94/02/469009402.db2.gz AKCGNSDTFAQTDF-WXYTYNPNSA-N 1 2 325.412 2.183 40 0 EEABLO CCc1nc(C[NH2+][C@@H]2CC[C@@H](Oc3ccc(Cl)cc3)[C@H]2O)no1 ZINC000585286771 469009426 /nfs/dbraw/zinc/00/94/26/469009426.db2.gz UTOVGELEXWQASD-IOASZLSFSA-N 1 2 337.807 2.346 40 0 EEABLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000057439600 535264272 /nfs/dbraw/zinc/26/42/72/535264272.db2.gz BGJAIHZKXKLPSE-UHFFFAOYSA-N 1 2 331.460 2.209 40 0 EEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CCc2ccnn2C)cc[nH+]1 ZINC000257222092 536144852 /nfs/dbraw/zinc/14/48/52/536144852.db2.gz DRWAIHVWUYAUPK-INIZCTEOSA-N 1 2 327.432 2.177 40 0 EEABLO O=C(NCCCn1cc[nH+]c1)c1ccn(COc2ccc(F)cc2)n1 ZINC000027972394 1352373690 /nfs/dbraw/zinc/37/36/90/1352373690.db2.gz ZJVDCTVLWKYVGR-UHFFFAOYSA-N 1 2 343.362 2.075 40 0 EEABLO Cn1ccnc1C[NH+]1CCC2(CC(=O)N(Cc3ccccc3)O2)CC1 ZINC001549167524 1121134811 /nfs/dbraw/zinc/13/48/11/1121134811.db2.gz PRXQFBIJJHTBJV-UHFFFAOYSA-N 1 2 340.427 2.119 40 0 EEABLO NC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072361813 216168831 /nfs/dbraw/zinc/16/88/31/216168831.db2.gz OKRCQTUEEAAXFM-LBPRGKRZSA-N 1 2 330.363 2.073 40 0 EEABLO NC(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072361813 216168833 /nfs/dbraw/zinc/16/88/33/216168833.db2.gz OKRCQTUEEAAXFM-LBPRGKRZSA-N 1 2 330.363 2.073 40 0 EEABLO NC(=O)C[NH+]1CCC(c2csc(Nc3ccc(F)cn3)n2)CC1 ZINC000072367867 216174360 /nfs/dbraw/zinc/17/43/60/216174360.db2.gz MURQKVPIMDMEOC-UHFFFAOYSA-N 1 2 335.408 2.086 40 0 EEABLO Cc1nc(N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)cc[nH+]1 ZINC000072369067 216176484 /nfs/dbraw/zinc/17/64/84/216176484.db2.gz HOTXSNCDTRSKIV-OAHLLOKOSA-N 1 2 334.383 2.272 40 0 EEABLO Cc1ccc(C)c2nc3c(cc12)CN(CC[NH+]1CCOCC1)C(=O)O3 ZINC000072396329 216192052 /nfs/dbraw/zinc/19/20/52/216192052.db2.gz YPAYQGJKSBQJPQ-UHFFFAOYSA-N 1 2 341.411 2.498 40 0 EEABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)CC1CCCC1)CC2 ZINC000019706484 212055858 /nfs/dbraw/zinc/05/58/58/212055858.db2.gz MPZAMSUUZGJYJU-HNNXBMFYSA-N 1 2 331.464 2.010 40 0 EEABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)CC1CCCC1)CC2 ZINC000019706484 212055863 /nfs/dbraw/zinc/05/58/63/212055863.db2.gz MPZAMSUUZGJYJU-HNNXBMFYSA-N 1 2 331.464 2.010 40 0 EEABLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1C(=O)c1ccc(F)cc1 ZINC000015676526 284198285 /nfs/dbraw/zinc/19/82/85/284198285.db2.gz LWXVEEICTQKIIE-HNNXBMFYSA-N 1 2 345.374 2.343 40 0 biogenic,in-vitro EEABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCCCO)C1 ZINC000019524397 212037823 /nfs/dbraw/zinc/03/78/23/212037823.db2.gz BVXDRJSHFUXWGO-HNNXBMFYSA-N 1 2 344.459 2.161 40 0 EEABLO COC(=O)[C@H]1CCCN1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000079311381 217206870 /nfs/dbraw/zinc/20/68/70/217206870.db2.gz OQXRPEOQNYRBSG-GFCCVEGCSA-N 1 2 338.205 2.234 40 0 EEABLO O=C(c1cscn1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187898 218655084 /nfs/dbraw/zinc/65/50/84/218655084.db2.gz QIVHJXHKRHYPBL-CYBMUJFWSA-N 1 2 332.429 2.038 40 0 EEABLO CC(=O)N1CCN(c2[nH+]cc(CNC(=O)OC(C)(C)C)cc2C)CC1 ZINC000072222686 257686857 /nfs/dbraw/zinc/68/68/57/257686857.db2.gz PBEYDRDDYYLWLO-UHFFFAOYSA-N 1 2 348.447 2.083 40 0 EEABLO Cc1[nH+]c2ccccn2c1CN1C(=O)N[C@](C)(c2ccccn2)C1=O ZINC000096424868 279131406 /nfs/dbraw/zinc/13/14/06/279131406.db2.gz UALNDXNGXMBTAF-GOSISDBHSA-N 1 2 335.367 2.005 40 0 EEABLO O=C(NCc1ccccc1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609187 462802852 /nfs/dbraw/zinc/80/28/52/462802852.db2.gz FUNQJWXVXOZCAU-KRWDZBQOSA-N 1 2 349.500 2.036 40 0 EEABLO C[C@H](C(=O)NCCc1cn(C)c2ccc(Cl)cc12)[NH+]1CCOCC1 ZINC000019080163 463014450 /nfs/dbraw/zinc/01/44/50/463014450.db2.gz XRKFUYMZDMKMEQ-CYBMUJFWSA-N 1 2 349.862 2.211 40 0 EEABLO Cc1occc1C(=O)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062482 463162395 /nfs/dbraw/zinc/16/23/95/463162395.db2.gz ODMPPZLKRMPTBG-IBGZPJMESA-N 1 2 341.411 2.352 40 0 EEABLO CC[NH+](CC)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000026505235 463165504 /nfs/dbraw/zinc/16/55/04/463165504.db2.gz AQJRNGNTYRXNLF-KBPBESRZSA-N 1 2 339.486 2.186 40 0 EEABLO Cn1nc(CNc2ncccn2)c2c1C[N@H+](Cc1cccs1)CC2 ZINC000096084197 463170716 /nfs/dbraw/zinc/17/07/16/463170716.db2.gz PPKNWNRCJJGRAV-UHFFFAOYSA-N 1 2 340.456 2.442 40 0 EEABLO Cn1nc(CNc2ncccn2)c2c1C[N@@H+](Cc1cccs1)CC2 ZINC000096084197 463170721 /nfs/dbraw/zinc/17/07/21/463170721.db2.gz PPKNWNRCJJGRAV-UHFFFAOYSA-N 1 2 340.456 2.442 40 0 EEABLO Fc1cnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccco2)CCO3)nc1 ZINC000096226576 463221096 /nfs/dbraw/zinc/22/10/96/463221096.db2.gz PPLJACCQQZZJQF-QGZVFWFLSA-N 1 2 332.379 2.080 40 0 EEABLO Fc1cnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccco2)CCO3)nc1 ZINC000096226576 463221100 /nfs/dbraw/zinc/22/11/00/463221100.db2.gz PPLJACCQQZZJQF-QGZVFWFLSA-N 1 2 332.379 2.080 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC000096250077 463227246 /nfs/dbraw/zinc/22/72/46/463227246.db2.gz OIHHFFSEWCAIRH-HLLBOEOZSA-N 1 2 348.472 2.073 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cn1 ZINC000096250077 463227253 /nfs/dbraw/zinc/22/72/53/463227253.db2.gz OIHHFFSEWCAIRH-HLLBOEOZSA-N 1 2 348.472 2.073 40 0 EEABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(C(=O)C1CC1)CC2 ZINC000096254621 463228222 /nfs/dbraw/zinc/22/82/22/463228222.db2.gz OVICZDBRWLRXMA-UHFFFAOYSA-N 1 2 329.448 2.208 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Cc3noc4ccccc43)CC2)S1 ZINC000096426964 463255987 /nfs/dbraw/zinc/25/59/87/463255987.db2.gz MBQZOLDBUZXBND-LBPRGKRZSA-N 1 2 344.440 2.006 40 0 EEABLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCC[C@H](O)c1ccccc1 ZINC000096437752 463266266 /nfs/dbraw/zinc/26/62/66/463266266.db2.gz YDWVJBQIUUYDOZ-KRWDZBQOSA-N 1 2 342.443 2.185 40 0 EEABLO Cc1ccc2[nH]nc(C(=O)N3CCN(C4=[NH+]C[C@@H](C)S4)CC3)c2c1 ZINC000096443757 463268593 /nfs/dbraw/zinc/26/85/93/463268593.db2.gz NIJNJDZIJLAHLQ-GFCCVEGCSA-N 1 2 343.456 2.120 40 0 EEABLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000096455759 463275127 /nfs/dbraw/zinc/27/51/27/463275127.db2.gz QCBCHZUFPUZUGZ-LBPRGKRZSA-N 1 2 345.834 2.112 40 0 EEABLO Cc1[nH]ccc1C(=O)N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000096470974 463278871 /nfs/dbraw/zinc/27/88/71/463278871.db2.gz FQEQGLBEEHMJNL-ROUUACIJSA-N 1 2 325.412 2.049 40 0 EEABLO Cc1[nH]ccc1C(=O)N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000096470974 463278875 /nfs/dbraw/zinc/27/88/75/463278875.db2.gz FQEQGLBEEHMJNL-ROUUACIJSA-N 1 2 325.412 2.049 40 0 EEABLO CN(CC[NH+]1CCOCC1)C(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000096495008 463289088 /nfs/dbraw/zinc/28/90/88/463289088.db2.gz ALXHISDKJKWUDS-UHFFFAOYSA-N 1 2 338.398 2.177 40 0 EEABLO COc1c(Br)cc(C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000057339302 463480718 /nfs/dbraw/zinc/48/07/18/463480718.db2.gz QKVDJKRXYIFMMP-UHFFFAOYSA-N 1 2 327.222 2.154 40 0 EEABLO COc1ccccc1[C@H]1C[N@H+](Cc2cnn(C)c2C)CCN1C(C)=O ZINC000257305269 463770614 /nfs/dbraw/zinc/77/06/14/463770614.db2.gz SPFCARSMJOFLSJ-GOSISDBHSA-N 1 2 342.443 2.143 40 0 EEABLO COc1ccccc1[C@H]1C[N@@H+](Cc2cnn(C)c2C)CCN1C(C)=O ZINC000257305269 463770618 /nfs/dbraw/zinc/77/06/18/463770618.db2.gz SPFCARSMJOFLSJ-GOSISDBHSA-N 1 2 342.443 2.143 40 0 EEABLO COc1cccc(F)c1C[N@@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257315683 463775491 /nfs/dbraw/zinc/77/54/91/463775491.db2.gz VCKGDKNKURFYKM-CQSZACIVSA-N 1 2 347.390 2.164 40 0 EEABLO COc1cccc(F)c1C[N@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257315683 463775495 /nfs/dbraw/zinc/77/54/95/463775495.db2.gz VCKGDKNKURFYKM-CQSZACIVSA-N 1 2 347.390 2.164 40 0 EEABLO CC[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CCN1CC(F)F ZINC000225483930 464165607 /nfs/dbraw/zinc/16/56/07/464165607.db2.gz PHGKSRZSCNYTEM-ZDUSSCGKSA-N 1 2 325.407 2.243 40 0 EEABLO Cc1n[nH]c(C)c1CC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1C ZINC000225547432 464171194 /nfs/dbraw/zinc/17/11/94/464171194.db2.gz CERBYLANHZWMBW-ZDUSSCGKSA-N 1 2 344.434 2.441 40 0 EEABLO Cc1n[nH]c(C)c1CC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@@H]1C ZINC000225547432 464171197 /nfs/dbraw/zinc/17/11/97/464171197.db2.gz CERBYLANHZWMBW-ZDUSSCGKSA-N 1 2 344.434 2.441 40 0 EEABLO CO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000225643649 464178244 /nfs/dbraw/zinc/17/82/44/464178244.db2.gz ANHRFWYXVVKYPJ-LJQANCHMSA-N 1 2 348.443 2.151 40 0 EEABLO Fc1cccnc1OC[C@H]1CCOC12C[NH+](Cc1ccccn1)C2 ZINC000247546638 464693244 /nfs/dbraw/zinc/69/32/44/464693244.db2.gz USFFYWFBFFOXCU-CQSZACIVSA-N 1 2 329.375 2.286 40 0 EEABLO C[C@@H](c1nnnn1C1CC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000192076317 464861167 /nfs/dbraw/zinc/86/11/67/464861167.db2.gz RHRMXCLSBZOIAO-ZDUSSCGKSA-N 1 2 330.411 2.026 40 0 EEABLO COc1cccc(Cl)c1CC(=O)NC[C@@H](C)[N@@H+]1CCOC[C@H]1C ZINC000253369319 464993748 /nfs/dbraw/zinc/99/37/48/464993748.db2.gz AXGJTUGFZIWZSG-CHWSQXEVSA-N 1 2 340.851 2.117 40 0 EEABLO COc1cccc(Cl)c1CC(=O)NC[C@@H](C)[N@H+]1CCOC[C@H]1C ZINC000253369319 464993753 /nfs/dbraw/zinc/99/37/53/464993753.db2.gz AXGJTUGFZIWZSG-CHWSQXEVSA-N 1 2 340.851 2.117 40 0 EEABLO CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cn1 ZINC000253394475 464999565 /nfs/dbraw/zinc/99/95/65/464999565.db2.gz WHJPVDZQFYQRMI-IBGZPJMESA-N 1 2 343.475 2.407 40 0 EEABLO CC(C)N(C)c1ccc(C[N@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cn1 ZINC000253394475 464999571 /nfs/dbraw/zinc/99/95/71/464999571.db2.gz WHJPVDZQFYQRMI-IBGZPJMESA-N 1 2 343.475 2.407 40 0 EEABLO CC[C@H](C)n1nc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1C ZINC000331677421 466192366 /nfs/dbraw/zinc/19/23/66/466192366.db2.gz VNAMMEGVUUHGBK-LBPRGKRZSA-N 1 2 330.436 3.017 40 0 EEABLO O=C(NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)C1CC1 ZINC000585113000 468976626 /nfs/dbraw/zinc/97/66/26/468976626.db2.gz ZRPUVPPUXRWZBO-AWEZNQCLSA-N 1 2 330.457 2.418 40 0 EEABLO O=C(NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)C1CC1 ZINC000585113000 468976629 /nfs/dbraw/zinc/97/66/29/468976629.db2.gz ZRPUVPPUXRWZBO-AWEZNQCLSA-N 1 2 330.457 2.418 40 0 EEABLO CO[C@@]1(COc2cccc(F)c2)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585275327 468998921 /nfs/dbraw/zinc/99/89/21/468998921.db2.gz ANNZQWLPHYQECH-SFHVURJKSA-N 1 2 347.390 2.178 40 0 EEABLO CN(C)c1cc([C@H]2CCCN(C(=O)COc3cccnc3)C2)cc[nH+]1 ZINC000257235087 536145367 /nfs/dbraw/zinc/14/53/67/536145367.db2.gz GWJZZUVFJGWNGY-INIZCTEOSA-N 1 2 340.427 2.328 40 0 EEABLO Cc1cc(-c2ccccc2)nc(SCC(=O)N2CC[NH+](C)CC2)n1 ZINC000035183080 213013443 /nfs/dbraw/zinc/01/34/43/213013443.db2.gz CIIQLNAUXCEPOM-UHFFFAOYSA-N 1 2 342.468 2.318 40 0 EEABLO CCCn1nnnc1C[N@H+](C)C1CCN(c2cccc(F)c2)CC1 ZINC000072826175 216312088 /nfs/dbraw/zinc/31/20/88/216312088.db2.gz FSDBSWAVJKZWCK-UHFFFAOYSA-N 1 2 332.427 2.323 40 0 EEABLO CCCn1nnnc1C[N@@H+](C)C1CCN(c2cccc(F)c2)CC1 ZINC000072826175 216312091 /nfs/dbraw/zinc/31/20/91/216312091.db2.gz FSDBSWAVJKZWCK-UHFFFAOYSA-N 1 2 332.427 2.323 40 0 EEABLO COc1ccc([C@H](O)C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000022113546 212278114 /nfs/dbraw/zinc/27/81/14/212278114.db2.gz GACSXPSYHLPYQG-MRXNPFEDSA-N 1 2 336.432 2.281 40 0 EEABLO Cc1cc(N2CCC3(CO[C@H](Cc4cnccn4)C3)CC2)nc[nH+]1 ZINC000257216779 244170857 /nfs/dbraw/zinc/17/08/57/244170857.db2.gz CVZXXEYROLEDOT-MRXNPFEDSA-N 1 2 325.416 2.193 40 0 EEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](c2ccncc2)C1 ZINC000257249832 244266745 /nfs/dbraw/zinc/26/67/45/244266745.db2.gz JJYGTOJWRWAMTH-GOSISDBHSA-N 1 2 336.395 2.340 40 0 EEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)[nH+]1 ZINC000257342664 244575081 /nfs/dbraw/zinc/57/50/81/244575081.db2.gz ZPQBNLVJGJACAM-ZDUSSCGKSA-N 1 2 326.400 2.327 40 0 EEABLO COCC[NH+]1CCN(C(=O)c2ncoc2-c2ccc(Cl)cc2)CC1 ZINC000019593405 212050556 /nfs/dbraw/zinc/05/05/56/212050556.db2.gz JGASHUKSEQCSOK-UHFFFAOYSA-N 1 2 349.818 2.399 40 0 EEABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000019583882 212047121 /nfs/dbraw/zinc/04/71/21/212047121.db2.gz PYZKLMDINUAJHM-INIZCTEOSA-N 1 2 339.399 2.352 40 0 EEABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000019583882 212047125 /nfs/dbraw/zinc/04/71/25/212047125.db2.gz PYZKLMDINUAJHM-INIZCTEOSA-N 1 2 339.399 2.352 40 0 EEABLO CCc1noc(CN(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000078928815 217150176 /nfs/dbraw/zinc/15/01/76/217150176.db2.gz CUSVPHMEMFFOGI-HNNXBMFYSA-N 1 2 343.431 2.040 40 0 EEABLO CCc1noc(CN(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000078928815 217150179 /nfs/dbraw/zinc/15/01/79/217150179.db2.gz CUSVPHMEMFFOGI-HNNXBMFYSA-N 1 2 343.431 2.040 40 0 EEABLO Cc1[nH+]cc(CN2CCS(=O)(=O)C(C)(C)C2)n1-c1ccccc1 ZINC000093735457 218245698 /nfs/dbraw/zinc/24/56/98/218245698.db2.gz BPHYSJNOXLJQKA-UHFFFAOYSA-N 1 2 333.457 2.190 40 0 EEABLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000189577060 278316766 /nfs/dbraw/zinc/31/67/66/278316766.db2.gz HYVKEZKPYXPJFO-NEPJUHHUSA-N 1 2 332.477 2.486 40 0 EEABLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000189577060 278316770 /nfs/dbraw/zinc/31/67/70/278316770.db2.gz HYVKEZKPYXPJFO-NEPJUHHUSA-N 1 2 332.477 2.486 40 0 EEABLO OC[C@@H]1CO[C@](Cn2cc[nH+]c2)(c2ccc(Cl)cc2Cl)O1 ZINC000000297645 462553283 /nfs/dbraw/zinc/55/32/83/462553283.db2.gz VJZJGRMLFMJRGG-RISCZKNCSA-N 1 2 329.183 2.451 40 0 EEABLO NC(=O)C[NH+]1CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1 ZINC000095462942 463089921 /nfs/dbraw/zinc/08/99/21/463089921.db2.gz UWUVVQZWXNVFIT-UHFFFAOYSA-N 1 2 339.226 2.149 40 0 EEABLO CC1CCN(C(=O)[C@@H]2C[C@@H]3CC[N@H+](Cc4nccs4)C[C@@H]3O2)CC1 ZINC000096065482 463163605 /nfs/dbraw/zinc/16/36/05/463163605.db2.gz YVULARZQQNQPOA-JYJNAYRXSA-N 1 2 349.500 2.381 40 0 EEABLO CC1CCN(C(=O)[C@@H]2C[C@@H]3CC[N@@H+](Cc4nccs4)C[C@@H]3O2)CC1 ZINC000096065482 463163612 /nfs/dbraw/zinc/16/36/12/463163612.db2.gz YVULARZQQNQPOA-JYJNAYRXSA-N 1 2 349.500 2.381 40 0 EEABLO c1csc(CN2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096202246 463207431 /nfs/dbraw/zinc/20/74/31/463207431.db2.gz HLSLBECGMWSPCQ-QGZVFWFLSA-N 1 2 330.457 2.267 40 0 EEABLO CCOC[C@H]1Cn2c[nH+]cc2CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000096209730 463213747 /nfs/dbraw/zinc/21/37/47/463213747.db2.gz CQHMZYORRDRZBZ-HNNXBMFYSA-N 1 2 349.456 2.049 40 0 EEABLO Cc1cccc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC000096259713 463229867 /nfs/dbraw/zinc/22/98/67/463229867.db2.gz NXWWJQCIWOSATP-UHFFFAOYSA-N 1 2 328.464 2.228 40 0 EEABLO Cc1cccc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC000096259713 463229872 /nfs/dbraw/zinc/22/98/72/463229872.db2.gz NXWWJQCIWOSATP-UHFFFAOYSA-N 1 2 328.464 2.228 40 0 EEABLO C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1nccn1C(F)F ZINC000096443505 463268243 /nfs/dbraw/zinc/26/82/43/463268243.db2.gz RAQWOSAXRIULNW-UHFFFAOYSA-N 1 2 333.342 2.189 40 0 EEABLO C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1nccn1C(F)F ZINC000096443505 463268249 /nfs/dbraw/zinc/26/82/49/463268249.db2.gz RAQWOSAXRIULNW-UHFFFAOYSA-N 1 2 333.342 2.189 40 0 EEABLO Cc1csc(-c2cccc(OC[C@H](O)C[NH+]3CCOCC3)c2)n1 ZINC000096484803 463283437 /nfs/dbraw/zinc/28/34/37/463283437.db2.gz NUFKUWDVXMPQHC-OAHLLOKOSA-N 1 2 334.441 2.190 40 0 EEABLO CO[C@@H]1CC[C@H]2N(C(=O)C[N@H+](C)Cc3cccnc3)CC[C@@]2(C)C1 ZINC000257283409 463761962 /nfs/dbraw/zinc/76/19/62/463761962.db2.gz OYEKXAXXDKSHCU-LMMKCTJWSA-N 1 2 331.460 2.320 40 0 EEABLO CO[C@@H]1CC[C@H]2N(C(=O)C[N@@H+](C)Cc3cccnc3)CC[C@@]2(C)C1 ZINC000257283409 463761968 /nfs/dbraw/zinc/76/19/68/463761968.db2.gz OYEKXAXXDKSHCU-LMMKCTJWSA-N 1 2 331.460 2.320 40 0 EEABLO Cc1cc(C(=O)N2CCC3(CC(N(C)c4cc(C)[nH+]cn4)C3)C2)no1 ZINC000257298103 463767724 /nfs/dbraw/zinc/76/77/24/463767724.db2.gz RKDVJBSXWRZIFT-UHFFFAOYSA-N 1 2 341.415 2.213 40 0 EEABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2cnccn2)c1 ZINC000257305721 463770378 /nfs/dbraw/zinc/77/03/78/463770378.db2.gz SRENMCOGYLATMZ-INIZCTEOSA-N 1 2 335.367 2.079 40 0 EEABLO Cc1cc(C)c(N2CC[C@H]([N@@H+]3CCC4(C3)OCCO4)C2=O)c(C)c1 ZINC000190852648 464731992 /nfs/dbraw/zinc/73/19/92/464731992.db2.gz PQVOYGFNPQTDPQ-INIZCTEOSA-N 1 2 330.428 2.166 40 0 EEABLO Cc1cc(C)c(N2CC[C@H]([N@H+]3CCC4(C3)OCCO4)C2=O)c(C)c1 ZINC000190852648 464731999 /nfs/dbraw/zinc/73/19/99/464731999.db2.gz PQVOYGFNPQTDPQ-INIZCTEOSA-N 1 2 330.428 2.166 40 0 EEABLO CC(C)(C)n1cc(CNc2ccc[nH+]c2N2CCC(CO)CC2)nn1 ZINC000191476880 464817777 /nfs/dbraw/zinc/81/77/77/464817777.db2.gz SSXDUOSBTSOVHG-UHFFFAOYSA-N 1 2 344.463 2.249 40 0 EEABLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000249280949 464859297 /nfs/dbraw/zinc/85/92/97/464859297.db2.gz KUJZOLGCCWVGBO-KBPBESRZSA-N 1 2 334.468 2.217 40 0 EEABLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000249280949 464859306 /nfs/dbraw/zinc/85/93/06/464859306.db2.gz KUJZOLGCCWVGBO-KBPBESRZSA-N 1 2 334.468 2.217 40 0 EEABLO C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)[C@H](O)c1ccc(F)cc1 ZINC000253413436 465003547 /nfs/dbraw/zinc/00/35/47/465003547.db2.gz ZNPPFZKGHCSLDS-ZBEGNZNMSA-N 1 2 344.377 2.341 40 0 EEABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2nccc(C)n2)CCO3)o1 ZINC000253478516 465016366 /nfs/dbraw/zinc/01/63/66/465016366.db2.gz LMLSZJXHLQNXPU-HNNXBMFYSA-N 1 2 329.400 2.499 40 0 EEABLO CCCCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000585096133 468964790 /nfs/dbraw/zinc/96/47/90/468964790.db2.gz TWKHUUVYWWQINB-OAHLLOKOSA-N 1 2 346.456 2.335 40 0 EEABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)no1 ZINC000585099172 468967644 /nfs/dbraw/zinc/96/76/44/468967644.db2.gz RETCEAPNCGOFOK-MRXNPFEDSA-N 1 2 342.443 2.333 40 0 EEABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)no1 ZINC000585099172 468967651 /nfs/dbraw/zinc/96/76/51/468967651.db2.gz RETCEAPNCGOFOK-MRXNPFEDSA-N 1 2 342.443 2.333 40 0 EEABLO c1ccc(N2CCC[C@@H](Cc3ccc(N4CCOCC4)nn3)C2)[nH+]c1 ZINC000072387270 216186683 /nfs/dbraw/zinc/18/66/83/216186683.db2.gz UAUJBPLFEWEYQD-INIZCTEOSA-N 1 2 339.443 2.167 40 0 EEABLO 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/nfs/dbraw/zinc/04/10/71/212041071.db2.gz PKCSVRAAGLHPFN-HNNXBMFYSA-N 1 2 349.456 2.016 40 0 EEABLO CCc1noc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1 ZINC000080926814 217341335 /nfs/dbraw/zinc/34/13/35/217341335.db2.gz OPPCIPOSFSHJLD-CYBMUJFWSA-N 1 2 329.404 2.186 40 0 EEABLO CCc1noc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1 ZINC000080926814 217341337 /nfs/dbraw/zinc/34/13/37/217341337.db2.gz OPPCIPOSFSHJLD-CYBMUJFWSA-N 1 2 329.404 2.186 40 0 EEABLO CCOCCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116317 211296420 /nfs/dbraw/zinc/29/64/20/211296420.db2.gz BSXDBFFCMKOLJL-UHFFFAOYSA-N 1 2 344.459 2.333 40 0 EEABLO CC1CCN(C(=O)[C@@H]2C[C@@H]3CC[N@H+](Cc4nccs4)C[C@H]3O2)CC1 ZINC000096043003 463148129 /nfs/dbraw/zinc/14/81/29/463148129.db2.gz YVULARZQQNQPOA-HRCADAONSA-N 1 2 349.500 2.381 40 0 EEABLO CC1CCN(C(=O)[C@@H]2C[C@@H]3CC[N@@H+](Cc4nccs4)C[C@H]3O2)CC1 ZINC000096043003 463148135 /nfs/dbraw/zinc/14/81/35/463148135.db2.gz YVULARZQQNQPOA-HRCADAONSA-N 1 2 349.500 2.381 40 0 EEABLO 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O=C(CCC1CCCC1)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257340542 463785855 /nfs/dbraw/zinc/78/58/55/463785855.db2.gz ZGQGBUNGFIHJMJ-LJQANCHMSA-N 1 2 331.460 2.500 40 0 EEABLO CCOCC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000195558078 464076421 /nfs/dbraw/zinc/07/64/21/464076421.db2.gz SVYCADLAXMLTRI-CZUORRHYSA-N 1 2 330.350 2.392 40 0 EEABLO CCOCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000195558078 464076425 /nfs/dbraw/zinc/07/64/25/464076425.db2.gz SVYCADLAXMLTRI-CZUORRHYSA-N 1 2 330.350 2.392 40 0 EEABLO Fc1cnc(N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)nc1 ZINC000247532378 464691885 /nfs/dbraw/zinc/69/18/85/464691885.db2.gz PDOODYKWFGVFDX-CYBMUJFWSA-N 1 2 329.379 2.108 40 0 EEABLO C[C@H]1CCSCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000190954593 464750343 /nfs/dbraw/zinc/75/03/43/464750343.db2.gz LFGVFYPLDKHECZ-ZDUSSCGKSA-N 1 2 331.445 2.304 40 0 EEABLO Cc1cc(C)cc([C@@H](O)CNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000282389687 464800082 /nfs/dbraw/zinc/80/00/82/464800082.db2.gz 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ZINC000585266364 468995643 /nfs/dbraw/zinc/99/56/43/468995643.db2.gz SWAVHZQTCAJZEG-AEFFLSMTSA-N 1 2 336.407 2.343 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585276206 469001215 /nfs/dbraw/zinc/00/12/15/469001215.db2.gz LBNDTIWWKVCPGF-SJLPKXTDSA-N 1 2 345.418 2.255 40 0 EEABLO CC1(C)CCC2(CCN(C(=O)/C=C/C[NH+]3CCOCC3)CC2)CO1 ZINC000585290840 469010852 /nfs/dbraw/zinc/01/08/52/469010852.db2.gz HPZCNNMENUEJON-ONEGZZNKSA-N 1 2 336.476 2.073 40 0 EEABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)C2CCOCC2)c1 ZINC000257249609 536913585 /nfs/dbraw/zinc/91/35/85/536913585.db2.gz JJBHEFJCKSGYEK-QGZVFWFLSA-N 1 2 341.411 2.402 40 0 EEABLO Cc1cc(N2CCC[C@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)nc[nH+]1 ZINC000072368999 216175916 /nfs/dbraw/zinc/17/59/16/216175916.db2.gz LBNCMMGQNHRJPQ-HNNXBMFYSA-N 1 2 334.383 2.272 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ncoc3-c3ccco3)CC2)S1 ZINC000073118998 216352635 /nfs/dbraw/zinc/35/26/35/216352635.db2.gz FORQGQXTMQFMAP-NSHDSACASA-N 1 2 346.412 2.184 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Cn1cc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cn1 ZINC000012142920 211304809 /nfs/dbraw/zinc/30/48/09/211304809.db2.gz YUKZJKWISJVEOV-UHFFFAOYSA-N 1 2 340.431 2.024 40 0 EEABLO Cn1cc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cn1 ZINC000012142920 211304811 /nfs/dbraw/zinc/30/48/11/211304811.db2.gz YUKZJKWISJVEOV-UHFFFAOYSA-N 1 2 340.431 2.024 40 0 EEABLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N[C@H](CCO)C1CC1 ZINC000095401080 218335675 /nfs/dbraw/zinc/33/56/75/218335675.db2.gz HZZFAYKJQQXXTD-QGZVFWFLSA-N 1 2 346.475 2.422 40 0 EEABLO O[C@H](CN1CC[NH+](Cc2nc3ccccc3s2)CC1)C(F)(F)F ZINC000097378148 219019498 /nfs/dbraw/zinc/01/94/98/219019498.db2.gz KUSGOUWMXXYUDZ-CYBMUJFWSA-N 1 2 345.390 2.337 40 0 EEABLO COC(=O)CC1(C[NH+]2CCN(C(=O)Nc3ccc(C)cc3)CC2)CC1 ZINC000575419663 320105289 /nfs/dbraw/zinc/10/52/89/320105289.db2.gz NHPUAJSCOLMQHI-UHFFFAOYSA-N 1 2 345.443 2.488 40 0 EEABLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(=O)[nH]n3)n2)C1 ZINC000045871867 462627362 /nfs/dbraw/zinc/62/73/62/462627362.db2.gz GNVKUMBKIWQWEI-JTQLQIEISA-N 1 2 333.417 2.123 40 0 EEABLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(=O)[nH]n3)n2)C1 ZINC000045871867 462627364 /nfs/dbraw/zinc/62/73/64/462627364.db2.gz GNVKUMBKIWQWEI-JTQLQIEISA-N 1 2 333.417 2.123 40 0 EEABLO CCCCn1ncc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1C ZINC000089273356 462661114 /nfs/dbraw/zinc/66/11/14/462661114.db2.gz MBAFVKAJRSBFLK-INIZCTEOSA-N 1 2 349.479 2.320 40 0 EEABLO CNc1snc(C)c1C(=O)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000155736332 462934942 /nfs/dbraw/zinc/93/49/42/462934942.db2.gz XQVVBAZWLQLNMN-ZDUSSCGKSA-N 1 2 345.472 2.407 40 0 EEABLO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1nccs1)CC2 ZINC000096069566 463165337 /nfs/dbraw/zinc/16/53/37/463165337.db2.gz JFCHPOWIJRWFHL-AWEZNQCLSA-N 1 2 328.441 2.176 40 0 EEABLO c1csc(CN2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)n1 ZINC000096158795 463188729 /nfs/dbraw/zinc/18/87/29/463188729.db2.gz PWOWPIGRYPCSLP-UHFFFAOYSA-N 1 2 344.484 2.405 40 0 EEABLO c1csc(CN2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)n1 ZINC000096158795 463188731 /nfs/dbraw/zinc/18/87/31/463188731.db2.gz PWOWPIGRYPCSLP-UHFFFAOYSA-N 1 2 344.484 2.405 40 0 EEABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)Cc1cccs1 ZINC000096201262 463205618 /nfs/dbraw/zinc/20/56/18/463205618.db2.gz IHRLHNHJZVAGQG-CYBMUJFWSA-N 1 2 341.440 2.335 40 0 EEABLO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(NS(=O)(=O)c3cccs3)C2)n1 ZINC000096249238 463227420 /nfs/dbraw/zinc/22/74/20/463227420.db2.gz LHTUSJUULCRNKZ-BBRMVZONSA-N 1 2 349.481 2.004 40 0 EEABLO Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(NS(=O)(=O)c3cccs3)C2)n1 ZINC000096249238 463227428 /nfs/dbraw/zinc/22/74/28/463227428.db2.gz LHTUSJUULCRNKZ-BBRMVZONSA-N 1 2 349.481 2.004 40 0 EEABLO COC(=O)Cn1ncc2c1nc[nH+]c2N(C)C[C@@H](C)c1ccccc1 ZINC000096408664 463241780 /nfs/dbraw/zinc/24/17/80/463241780.db2.gz SLPMZXNWYKIZBK-CYBMUJFWSA-N 1 2 339.399 2.239 40 0 EEABLO O=C(C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)Nc1nncs1 ZINC000096424355 463255419 /nfs/dbraw/zinc/25/54/19/463255419.db2.gz PORGACZPDOMHEW-UHFFFAOYSA-N 1 2 342.428 2.233 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)S1 ZINC000096443747 463268563 /nfs/dbraw/zinc/26/85/63/463268563.db2.gz MMYTZHMNMDYIHE-JTQLQIEISA-N 1 2 336.486 2.270 40 0 EEABLO O=C(C[NH+]1CC(c2nc(C3CC3)no2)C1)N1CCCc2ccccc21 ZINC000070636969 463377729 /nfs/dbraw/zinc/37/77/29/463377729.db2.gz LLIVZXZPAYRAMM-UHFFFAOYSA-N 1 2 338.411 2.326 40 0 EEABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccccc1 ZINC000044890760 463698475 /nfs/dbraw/zinc/69/84/75/463698475.db2.gz KBSVBLPIZMKOOZ-MRXNPFEDSA-N 1 2 332.367 2.211 40 0 EEABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[N@H+]2C)cc1 ZINC000257261856 463758443 /nfs/dbraw/zinc/75/84/43/463758443.db2.gz LJAOYYMRCQURBI-SFHVURJKSA-N 1 2 342.443 2.186 40 0 EEABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCN2C)cc1 ZINC000257261856 463758450 /nfs/dbraw/zinc/75/84/50/463758450.db2.gz LJAOYYMRCQURBI-SFHVURJKSA-N 1 2 342.443 2.186 40 0 EEABLO CNC(=O)[C@]1(CCCc2cnccn2)CCCN(c2cccc[nH+]2)C1 ZINC000257287851 463763228 /nfs/dbraw/zinc/76/32/28/463763228.db2.gz PRTALBYBSIHCNT-LJQANCHMSA-N 1 2 339.443 2.227 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)CCn2nccc2C)CC[N@@H+]1C ZINC000257295041 463766250 /nfs/dbraw/zinc/76/62/50/463766250.db2.gz QWRIEYAHIBJOAC-QGZVFWFLSA-N 1 2 342.443 2.106 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)CCn2nccc2C)CC[N@H+]1C ZINC000257295041 463766256 /nfs/dbraw/zinc/76/62/56/463766256.db2.gz QWRIEYAHIBJOAC-QGZVFWFLSA-N 1 2 342.443 2.106 40 0 EEABLO CCCn1cc(Cl)c(C(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257293486 463766270 /nfs/dbraw/zinc/76/62/70/463766270.db2.gz QPQMQYOEVIJDBF-LBPRGKRZSA-N 1 2 337.811 2.192 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)[nH+]1 ZINC000257318190 463774955 /nfs/dbraw/zinc/77/49/55/463774955.db2.gz VMWHDFZZFBNJCR-OAHLLOKOSA-N 1 2 329.448 2.407 40 0 EEABLO Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257339004 463784848 /nfs/dbraw/zinc/78/48/48/463784848.db2.gz YZVBNLKWVGPASD-MRXNPFEDSA-N 1 2 327.432 2.325 40 0 EEABLO Cc1cc(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)no1 ZINC000195540571 464073421 /nfs/dbraw/zinc/07/34/21/464073421.db2.gz CPNKXOOTQVPBOF-CYBMUJFWSA-N 1 2 335.429 2.374 40 0 EEABLO COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000225507915 464166376 /nfs/dbraw/zinc/16/63/76/464166376.db2.gz UMNZGGYFMUYMOO-ZDUSSCGKSA-N 1 2 341.411 2.117 40 0 EEABLO COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000225507915 464166381 /nfs/dbraw/zinc/16/63/81/464166381.db2.gz UMNZGGYFMUYMOO-ZDUSSCGKSA-N 1 2 341.411 2.117 40 0 EEABLO COC(=O)c1cccc(NC(=S)NCCCn2cc[nH+]c2)c1C ZINC000225520981 464167244 /nfs/dbraw/zinc/16/72/44/464167244.db2.gz MBPVVGKJNFHWDG-UHFFFAOYSA-N 1 2 332.429 2.355 40 0 EEABLO Cc1cccc(OC2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CC2)n1 ZINC000225514785 464167836 /nfs/dbraw/zinc/16/78/36/464167836.db2.gz FMRPODRVOHYIIR-AWEZNQCLSA-N 1 2 340.427 2.288 40 0 EEABLO Cc1cccc(OC2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CC2)n1 ZINC000225514785 464167839 /nfs/dbraw/zinc/16/78/39/464167839.db2.gz FMRPODRVOHYIIR-AWEZNQCLSA-N 1 2 340.427 2.288 40 0 EEABLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]2CCCO2)C1 ZINC000245339201 464471161 /nfs/dbraw/zinc/47/11/61/464471161.db2.gz RDXMTOSXNFFUCC-RBUKOAKNSA-N 1 2 349.496 2.343 40 0 EEABLO O=S1(=O)CC[C@H]([N@H+](Cc2ccc3c(c2)CCC3)C[C@H]2CCCO2)C1 ZINC000245339201 464471165 /nfs/dbraw/zinc/47/11/65/464471165.db2.gz RDXMTOSXNFFUCC-RBUKOAKNSA-N 1 2 349.496 2.343 40 0 EEABLO O=C(CN1CC[NH+](Cc2ccc[nH]2)CC1)Nc1ccccc1Cl ZINC000190585203 464682152 /nfs/dbraw/zinc/68/21/52/464682152.db2.gz AIHLOQQSMZCJEJ-UHFFFAOYSA-N 1 2 332.835 2.424 40 0 EEABLO COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1[nH+]cnc2c1cnn2C ZINC000272897546 464694496 /nfs/dbraw/zinc/69/44/96/464694496.db2.gz CDSFAPCCTRYUGB-CYBMUJFWSA-N 1 2 346.387 2.379 40 0 EEABLO C[N@@H+]1CC[C@@H](Nc2ncnc3[nH]cnc32)[C@H]1c1ccc(F)c(F)c1 ZINC000252537586 464980657 /nfs/dbraw/zinc/98/06/57/464980657.db2.gz LRIHMPKQHYTWLD-TZMCWYRMSA-N 1 2 330.342 2.488 40 0 EEABLO C[N@H+]1CC[C@@H](Nc2ncnc3[nH]cnc32)[C@H]1c1ccc(F)c(F)c1 ZINC000252537586 464980659 /nfs/dbraw/zinc/98/06/59/464980659.db2.gz LRIHMPKQHYTWLD-TZMCWYRMSA-N 1 2 330.342 2.488 40 0 EEABLO c1nnc([C@H]([NH2+]CC2CCC3(CC2)OCCO3)c2ccccc2)[nH]1 ZINC000253427025 465011272 /nfs/dbraw/zinc/01/12/72/465011272.db2.gz VFKCAIWVWLDCHI-MRXNPFEDSA-N 1 2 328.416 2.417 40 0 EEABLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[S@@](=O)C1 ZINC000253429432 465012670 /nfs/dbraw/zinc/01/26/70/465012670.db2.gz SDDMRPXJKDPFBO-VERVWZFWSA-N 1 2 338.864 2.121 40 0 EEABLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[S@@](=O)C1 ZINC000253429432 465012673 /nfs/dbraw/zinc/01/26/73/465012673.db2.gz SDDMRPXJKDPFBO-VERVWZFWSA-N 1 2 338.864 2.121 40 0 EEABLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccnc(OC2CCCCC2)c1 ZINC000585141128 1184703313 /nfs/dbraw/zinc/70/33/13/1184703313.db2.gz QACTXCAZTVXOMJ-CQSZACIVSA-N 1 2 326.400 2.344 40 0 EEABLO Cc1oc(-c2ccccc2)nc1C(=O)NCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000040047525 213254129 /nfs/dbraw/zinc/25/41/29/213254129.db2.gz ZRXVDOYCFIHLOY-ZIAGYGMSSA-N 1 2 343.427 2.489 40 0 EEABLO C=Cn1cc(CN2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cn1 ZINC000193905946 240355647 /nfs/dbraw/zinc/35/56/47/240355647.db2.gz ZJFUHXMLSRXPRG-UHFFFAOYSA-N 1 2 348.454 2.487 40 0 EEABLO C=Cn1cc(C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cn1 ZINC000193905946 240355655 /nfs/dbraw/zinc/35/56/55/240355655.db2.gz ZJFUHXMLSRXPRG-UHFFFAOYSA-N 1 2 348.454 2.487 40 0 EEABLO c1c[nH+]c(CN2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)[nH]1 ZINC000072378058 216178688 /nfs/dbraw/zinc/17/86/88/216178688.db2.gz IGFZVQHRUZDPID-CQSZACIVSA-N 1 2 336.403 2.461 40 0 EEABLO Cc1csc(CCNc2cc([C@H]3C[N@H+](C)CCO3)nc(C)n2)n1 ZINC000072387896 216188425 /nfs/dbraw/zinc/18/84/25/216188425.db2.gz URGSEHAPLFTZPT-CQSZACIVSA-N 1 2 333.461 2.208 40 0 EEABLO Cc1csc(CCNc2cc([C@H]3C[N@@H+](C)CCO3)nc(C)n2)n1 ZINC000072387896 216188427 /nfs/dbraw/zinc/18/84/27/216188427.db2.gz URGSEHAPLFTZPT-CQSZACIVSA-N 1 2 333.461 2.208 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)[nH+]1 ZINC000257231318 244213360 /nfs/dbraw/zinc/21/33/60/244213360.db2.gz GGDNPZVADKAVJJ-CQSZACIVSA-N 1 2 340.427 2.338 40 0 EEABLO Cc1noc(C)c1CC(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257248084 244263553 /nfs/dbraw/zinc/26/35/53/244263553.db2.gz JCARDTWTIJBPKI-HNNXBMFYSA-N 1 2 328.416 2.356 40 0 EEABLO Cc1nccc([C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000257251351 244270102 /nfs/dbraw/zinc/27/01/02/244270102.db2.gz JQJXVLWUPIZQNB-INIZCTEOSA-N 1 2 348.410 2.386 40 0 EEABLO CCn1ccnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1=O ZINC000097371929 219016649 /nfs/dbraw/zinc/01/66/49/219016649.db2.gz GWFSQLCKWQVTGI-UHFFFAOYSA-N 1 2 349.438 2.265 40 0 EEABLO Nc1nc[nH+]c(N)c1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000001749557 462586933 /nfs/dbraw/zinc/58/69/33/462586933.db2.gz CNGHPFLNTMNWOX-UHFFFAOYSA-N 1 2 335.367 2.472 40 0 EEABLO O=C(CSCc1ccc(Cl)cc1)NCC[NH+]1CCOCC1 ZINC000045973427 462634409 /nfs/dbraw/zinc/63/44/09/462634409.db2.gz DHZNXCWHVORELG-UHFFFAOYSA-N 1 2 328.865 2.022 40 0 EEABLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccco1 ZINC000047031489 462737135 /nfs/dbraw/zinc/73/71/35/462737135.db2.gz VNJWMMNOOJWHRU-MRXNPFEDSA-N 1 2 334.441 2.350 40 0 EEABLO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072413 463167117 /nfs/dbraw/zinc/16/71/17/463167117.db2.gz QCTHLMPVTXGDCB-HOTGVXAUSA-N 1 2 334.445 2.125 40 0 EEABLO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@@H+](Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072413 463167122 /nfs/dbraw/zinc/16/71/22/463167122.db2.gz QCTHLMPVTXGDCB-HOTGVXAUSA-N 1 2 334.445 2.125 40 0 EEABLO COc1ncccc1C[N@@H+]1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 ZINC000096108190 463174974 /nfs/dbraw/zinc/17/49/74/463174974.db2.gz DXJIXFIRCIAKGI-ZWKOTPCHSA-N 1 2 343.427 2.016 40 0 EEABLO COc1ncccc1C[N@H+]1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 ZINC000096108190 463174979 /nfs/dbraw/zinc/17/49/79/463174979.db2.gz DXJIXFIRCIAKGI-ZWKOTPCHSA-N 1 2 343.427 2.016 40 0 EEABLO Cc1nc(C[N@@H+]2CCC[C@]3(CN(C(=O)C4CCC4)CCO3)C2)cs1 ZINC000096226708 463221450 /nfs/dbraw/zinc/22/14/50/463221450.db2.gz BEYGVZNSGMKCBB-GOSISDBHSA-N 1 2 349.500 2.445 40 0 EEABLO Cc1nc(C[N@H+]2CCC[C@]3(CN(C(=O)C4CCC4)CCO3)C2)cs1 ZINC000096226708 463221453 /nfs/dbraw/zinc/22/14/53/463221453.db2.gz BEYGVZNSGMKCBB-GOSISDBHSA-N 1 2 349.500 2.445 40 0 EEABLO C[N@H+](CCOC[C@@H]1CCCO1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000096421107 463253239 /nfs/dbraw/zinc/25/32/39/463253239.db2.gz MTNOJOFSVBNKLF-HNNXBMFYSA-N 1 2 328.359 2.031 40 0 EEABLO C[N@@H+](CCOC[C@@H]1CCCO1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000096421107 463253242 /nfs/dbraw/zinc/25/32/42/463253242.db2.gz MTNOJOFSVBNKLF-HNNXBMFYSA-N 1 2 328.359 2.031 40 0 EEABLO CCOc1cccnc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000096451161 463273150 /nfs/dbraw/zinc/27/31/50/463273150.db2.gz JFTHBZNSKKZAKU-UHFFFAOYSA-N 1 2 331.441 2.500 40 0 EEABLO C[C@H]1SCC[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1c1ccccc1 ZINC000083199068 463539281 /nfs/dbraw/zinc/53/92/81/463539281.db2.gz IHDVKLHDXWFRFI-IUODEOHRSA-N 1 2 344.488 2.198 40 0 EEABLO C[C@H]1SCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1c1ccccc1 ZINC000083199068 463539286 /nfs/dbraw/zinc/53/92/86/463539286.db2.gz IHDVKLHDXWFRFI-IUODEOHRSA-N 1 2 344.488 2.198 40 0 EEABLO CCOCC[S@@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000083954519 463568744 /nfs/dbraw/zinc/56/87/44/463568744.db2.gz ANQGCDPMXHRXCO-SFHVURJKSA-N 1 2 331.235 2.382 40 0 EEABLO c1ccc(N2CC[NH+](Cc3ccnc([C@@H]4CCCO4)n3)CC2)nc1 ZINC000257317869 463775609 /nfs/dbraw/zinc/77/56/09/463775609.db2.gz VLNSNBMTMWDEEU-INIZCTEOSA-N 1 2 325.416 2.045 40 0 EEABLO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2cn[nH]c2C)c(C)s1 ZINC000195553829 464076125 /nfs/dbraw/zinc/07/61/25/464076125.db2.gz WDHWNFSYITYKNM-SNVBAGLBSA-N 1 2 342.490 2.026 40 0 EEABLO CCC[C@]12CCCN1C(=O)N([C@H]1CCN(c3cccc[nH+]3)C1)C2=O ZINC000241161342 464450645 /nfs/dbraw/zinc/45/06/45/464450645.db2.gz JZYLHQAEOGEZIQ-KBXCAEBGSA-N 1 2 328.416 2.257 40 0 EEABLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000285571941 464612806 /nfs/dbraw/zinc/61/28/06/464612806.db2.gz SOIBDZSFRRMIBJ-UHFFFAOYSA-N 1 2 343.475 2.446 40 0 EEABLO Cn1cc(C[NH+]2CC3(C2)C[C@@H](CCOc2ccccn2)CCO3)cn1 ZINC000248130456 464732470 /nfs/dbraw/zinc/73/24/70/464732470.db2.gz MYFXKCPSFNXKGH-INIZCTEOSA-N 1 2 342.443 2.265 40 0 EEABLO C[C@@H](CNC(=O)N1CCc2cc(Cl)ccc2C1)[NH+]1CCOCC1 ZINC000190978992 464754285 /nfs/dbraw/zinc/75/42/85/464754285.db2.gz MDKGKSSXTOZLCU-ZDUSSCGKSA-N 1 2 337.851 2.128 40 0 EEABLO COCCn1cc[nH+]c1[C@@H]1CN(C(=O)C2CC2)Cc2ccccc21 ZINC000306143601 466494762 /nfs/dbraw/zinc/49/47/62/466494762.db2.gz YGQXYNXFEMCEMD-QGZVFWFLSA-N 1 2 325.412 2.414 40 0 EEABLO CCOC[C@H]1CCS(=O)(=O)C12C[NH+](Cc1cc(C)ccc1C)C2 ZINC000585104038 468972252 /nfs/dbraw/zinc/97/22/52/468972252.db2.gz VKHVHYRVLGYQQY-QGZVFWFLSA-N 1 2 337.485 2.329 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)NC(C)C)C2)s1 ZINC000585110848 468973668 /nfs/dbraw/zinc/97/36/68/468973668.db2.gz PTWCXWANEHACLV-AWEZNQCLSA-N 1 2 332.473 2.414 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)NC(C)C)C2)s1 ZINC000585110848 468973673 /nfs/dbraw/zinc/97/36/73/468973673.db2.gz PTWCXWANEHACLV-AWEZNQCLSA-N 1 2 332.473 2.414 40 0 EEABLO CC1CCN(C(=O)[C@H]2C[N@H+](Cc3ccco3)Cc3ncn(C)c32)CC1 ZINC000585110869 468974034 /nfs/dbraw/zinc/97/40/34/468974034.db2.gz RSTZXGNTBPDDDM-INIZCTEOSA-N 1 2 342.443 2.371 40 0 EEABLO CC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccco3)Cc3ncn(C)c32)CC1 ZINC000585110869 468974040 /nfs/dbraw/zinc/97/40/40/468974040.db2.gz RSTZXGNTBPDDDM-INIZCTEOSA-N 1 2 342.443 2.371 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)s1 ZINC000585110929 468974902 /nfs/dbraw/zinc/97/49/02/468974902.db2.gz ZWUAHZSFQVPCFA-CQSZACIVSA-N 1 2 330.457 2.122 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)s1 ZINC000585110929 468974908 /nfs/dbraw/zinc/97/49/08/468974908.db2.gz ZWUAHZSFQVPCFA-CQSZACIVSA-N 1 2 330.457 2.122 40 0 EEABLO CC(C)C[C@]1(CO)CCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000190064834 528618578 /nfs/dbraw/zinc/61/85/78/528618578.db2.gz VEGBAYRLCPVKTB-SFHVURJKSA-N 1 2 334.464 2.230 40 0 EEABLO CCCCc1[nH]c(CN2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)c[nH+]1 ZINC000257230688 535102438 /nfs/dbraw/zinc/10/24/38/535102438.db2.gz GDLLMXUJYMMKOR-HNNXBMFYSA-N 1 2 331.420 2.130 40 0 EEABLO CCCCc1[nH]cc(CN2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)[nH+]1 ZINC000257230688 535102443 /nfs/dbraw/zinc/10/24/43/535102443.db2.gz GDLLMXUJYMMKOR-HNNXBMFYSA-N 1 2 331.420 2.130 40 0 EEABLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178279156 232124289 /nfs/dbraw/zinc/12/42/89/232124289.db2.gz GJHCZVKSZWNANG-ZIAGYGMSSA-N 1 2 335.414 2.202 40 0 EEABLO CCOC(=O)C1(S(=O)(=O)CC)CC[NH+](Cc2ccccc2)CC1 ZINC000217928087 241284332 /nfs/dbraw/zinc/28/43/32/241284332.db2.gz AEDDVESRFFDHDI-UHFFFAOYSA-N 1 2 339.457 2.019 40 0 EEABLO C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CC[NH+](C)CC1 ZINC000227152539 242124104 /nfs/dbraw/zinc/12/41/04/242124104.db2.gz RQDHHXYJSRCTIV-ZDUSSCGKSA-N 1 2 348.834 2.067 40 0 EEABLO CCn1cc(C[N@@H+]2CCN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)cn1 ZINC000257201803 244122349 /nfs/dbraw/zinc/12/23/49/244122349.db2.gz AJCFGCLVGBWNOC-LJQANCHMSA-N 1 2 342.443 2.317 40 0 EEABLO CCn1cc(C[N@H+]2CCN(C(C)=O)[C@@H](c3ccc(OC)cc3)C2)cn1 ZINC000257201803 244122356 /nfs/dbraw/zinc/12/23/56/244122356.db2.gz AJCFGCLVGBWNOC-LJQANCHMSA-N 1 2 342.443 2.317 40 0 EEABLO CNc1[nH+]c([C@H]2CCN(C(=O)c3cccnc3)C2)c2sccn12 ZINC000257241678 244244157 /nfs/dbraw/zinc/24/41/57/244244157.db2.gz HZBJDULZNLSVKM-LBPRGKRZSA-N 1 2 327.413 2.462 40 0 EEABLO Cc1ccnn1CCC(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257265098 244357870 /nfs/dbraw/zinc/35/78/70/244357870.db2.gz LXIAZUPONUFVDD-QGZVFWFLSA-N 1 2 341.459 2.449 40 0 EEABLO Cc1[nH+]c(C2CCN(C(=O)c3ccn(C)n3)CC2)c2sccn12 ZINC000019240818 212008669 /nfs/dbraw/zinc/00/86/69/212008669.db2.gz RKZDVPXRSSIQMG-UHFFFAOYSA-N 1 2 329.429 2.458 40 0 EEABLO CCn1cc(C[NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1 ZINC000096489621 218867153 /nfs/dbraw/zinc/86/71/53/218867153.db2.gz WMAYFHXRQDMSEQ-UHFFFAOYSA-N 1 2 340.353 2.034 40 0 EEABLO O=c1[nH]c2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)ccc2o1 ZINC000289007419 275095173 /nfs/dbraw/zinc/09/51/73/275095173.db2.gz DUIOKAPQSQVWSV-BXUZGUMPSA-N 1 2 342.355 2.097 40 0 EEABLO O=c1[nH]c2cc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)ccc2o1 ZINC000289007419 275095174 /nfs/dbraw/zinc/09/51/74/275095174.db2.gz DUIOKAPQSQVWSV-BXUZGUMPSA-N 1 2 342.355 2.097 40 0 EEABLO Cc1[nH]nc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1-c1cccc(Cl)c1 ZINC000085542568 462552763 /nfs/dbraw/zinc/55/27/63/462552763.db2.gz LOHSQQMWBSUPBI-ZDUSSCGKSA-N 1 2 334.807 2.308 40 0 EEABLO Cc1[nH]nc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1-c1cccc(Cl)c1 ZINC000085542568 462552769 /nfs/dbraw/zinc/55/27/69/462552769.db2.gz LOHSQQMWBSUPBI-ZDUSSCGKSA-N 1 2 334.807 2.308 40 0 EEABLO C[NH+]1CCN(C(=O)CSCc2cccc(Br)c2)CC1 ZINC000020238342 463025923 /nfs/dbraw/zinc/02/59/23/463025923.db2.gz FLQKDBMWZFYTEG-UHFFFAOYSA-N 1 2 343.290 2.456 40 0 EEABLO Cn1ccnc1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC000096069549 463166071 /nfs/dbraw/zinc/16/60/71/463166071.db2.gz SODOFGDQWGJERQ-KRWDZBQOSA-N 1 2 338.455 2.401 40 0 EEABLO Cn1cc[nH+]c1CN1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096074726 463166996 /nfs/dbraw/zinc/16/69/96/463166996.db2.gz ZIWJJDSRZGIDTJ-IBGZPJMESA-N 1 2 344.434 2.431 40 0 EEABLO Cn1cc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)cn1 ZINC000096112209 463179488 /nfs/dbraw/zinc/17/94/88/463179488.db2.gz MAYGSBQSLNJCMG-PBHICJAKSA-N 1 2 343.406 2.046 40 0 biogenic,in-vitro EEABLO Cn1cc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)cn1 ZINC000096112209 463179492 /nfs/dbraw/zinc/17/94/92/463179492.db2.gz MAYGSBQSLNJCMG-PBHICJAKSA-N 1 2 343.406 2.046 40 0 biogenic,in-vitro EEABLO CCn1ncc2c1[C@@H](COCC1CC1)[N@H+](Cc1cnn(C)c1)CC2 ZINC000096197821 463203715 /nfs/dbraw/zinc/20/37/15/463203715.db2.gz JPPLNXNOYLMWOM-QGZVFWFLSA-N 1 2 329.448 2.163 40 0 EEABLO CCn1ncc2c1[C@@H](COCC1CC1)[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096197821 463203717 /nfs/dbraw/zinc/20/37/17/463203717.db2.gz JPPLNXNOYLMWOM-QGZVFWFLSA-N 1 2 329.448 2.163 40 0 EEABLO C[C@@H](NC(=O)COC[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432097 463261474 /nfs/dbraw/zinc/26/14/74/463261474.db2.gz YONALOFQUAJLIP-RHSMWYFYSA-N 1 2 329.400 2.245 40 0 EEABLO O=C(N[C@H]1C[N@H+](CCCO)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000096496453 463289175 /nfs/dbraw/zinc/28/91/75/463289175.db2.gz PKMCUJUNGFRVHB-KGLIPLIRSA-N 1 2 348.340 2.045 40 0 EEABLO O=C(N[C@H]1C[N@@H+](CCCO)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000096496453 463289180 /nfs/dbraw/zinc/28/91/80/463289180.db2.gz PKMCUJUNGFRVHB-KGLIPLIRSA-N 1 2 348.340 2.045 40 0 EEABLO CCc1cc(Br)c(OC)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000057339318 463480412 /nfs/dbraw/zinc/48/04/12/463480412.db2.gz RWDUJEPBORCMGT-UHFFFAOYSA-N 1 2 341.249 2.408 40 0 EEABLO CN(C)c1cc([C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)cc[nH+]1 ZINC000257286487 463763601 /nfs/dbraw/zinc/76/36/01/463763601.db2.gz PLTOHHFMDYVMNQ-MRXNPFEDSA-N 1 2 341.459 2.220 40 0 EEABLO Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(S(C)(=O)=O)C3)cn2)n1C ZINC000257307516 463771429 /nfs/dbraw/zinc/77/14/29/463771429.db2.gz SYZNGAYYONVLNQ-HNNXBMFYSA-N 1 2 348.472 2.005 40 0 EEABLO O=C(Nc1cnccn1)c1cccc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257341907 463786071 /nfs/dbraw/zinc/78/60/71/463786071.db2.gz ZMJMGIIAJNRCEE-OAHLLOKOSA-N 1 2 349.398 2.184 40 0 EEABLO COc1ccc(C[N@@H+]2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257340347 463786562 /nfs/dbraw/zinc/78/65/62/463786562.db2.gz ZFPQQMORLXQGCH-IBGZPJMESA-N 1 2 340.427 2.065 40 0 EEABLO COc1ccc(C[N@H+]2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257340347 463786566 /nfs/dbraw/zinc/78/65/66/463786566.db2.gz ZFPQQMORLXQGCH-IBGZPJMESA-N 1 2 340.427 2.065 40 0 EEABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC000225516462 464167333 /nfs/dbraw/zinc/16/73/33/464167333.db2.gz KSSGBUTVRLINGF-AWEZNQCLSA-N 1 2 342.418 2.311 40 0 EEABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000225516462 464167337 /nfs/dbraw/zinc/16/73/37/464167337.db2.gz KSSGBUTVRLINGF-AWEZNQCLSA-N 1 2 342.418 2.311 40 0 EEABLO COc1ncccc1C[N@H+]1Cc2ccnn2C[C@@H](OCC2CC2)C1 ZINC000247832673 464709578 /nfs/dbraw/zinc/70/95/78/464709578.db2.gz HWKTUXWSSPQWJB-KRWDZBQOSA-N 1 2 328.416 2.098 40 0 EEABLO COc1ncccc1C[N@@H+]1Cc2ccnn2C[C@@H](OCC2CC2)C1 ZINC000247832673 464709582 /nfs/dbraw/zinc/70/95/82/464709582.db2.gz HWKTUXWSSPQWJB-KRWDZBQOSA-N 1 2 328.416 2.098 40 0 EEABLO Cc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(NS(=O)(=O)c3cccs3)C2)n1 ZINC000247871057 464711082 /nfs/dbraw/zinc/71/10/82/464711082.db2.gz LHTUSJUULCRNKZ-CZUORRHYSA-N 1 2 349.481 2.004 40 0 EEABLO Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(NS(=O)(=O)c3cccs3)C2)n1 ZINC000247871057 464711089 /nfs/dbraw/zinc/71/10/89/464711089.db2.gz LHTUSJUULCRNKZ-CZUORRHYSA-N 1 2 349.481 2.004 40 0 EEABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2ncccc2F)cn1 ZINC000248110694 464730382 /nfs/dbraw/zinc/73/03/82/464730382.db2.gz HBKJRPDZCABEHY-HNNXBMFYSA-N 1 2 346.406 2.014 40 0 EEABLO Cc1noc(C)c1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(C)C)CO2 ZINC000248181654 464737185 /nfs/dbraw/zinc/73/71/85/464737185.db2.gz ZBDSGSDIYXHXLU-HNNXBMFYSA-N 1 2 335.448 2.045 40 0 EEABLO c1csc(N2CCC[N@@H+](Cc3ncnn3-c3ccccc3)CC2)n1 ZINC000253397011 465000149 /nfs/dbraw/zinc/00/01/49/465000149.db2.gz SPVPAZGDRKEWAK-UHFFFAOYSA-N 1 2 340.456 2.436 40 0 EEABLO c1csc(N2CCC[N@H+](Cc3ncnn3-c3ccccc3)CC2)n1 ZINC000253397011 465000153 /nfs/dbraw/zinc/00/01/53/465000153.db2.gz SPVPAZGDRKEWAK-UHFFFAOYSA-N 1 2 340.456 2.436 40 0 EEABLO Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)o1 ZINC000253416616 465004412 /nfs/dbraw/zinc/00/44/12/465004412.db2.gz RURBOKAXJFAGMO-RRQGHBQHSA-N 1 2 335.448 2.024 40 0 EEABLO Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)o1 ZINC000253416616 465004413 /nfs/dbraw/zinc/00/44/13/465004413.db2.gz RURBOKAXJFAGMO-RRQGHBQHSA-N 1 2 335.448 2.024 40 0 EEABLO Cc1[nH+]ccn1-c1ccc(CNc2nc3[nH]ncc3c(=O)[nH]2)cc1F ZINC000302279932 466130648 /nfs/dbraw/zinc/13/06/48/466130648.db2.gz IVXKBOSSSVWWSY-UHFFFAOYSA-N 1 2 339.334 2.304 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3cccn3[C@H](COCC(=O)N(C)C)C2)o1 ZINC000306135878 466492247 /nfs/dbraw/zinc/49/22/47/466492247.db2.gz PDRLWQMDUFLXPP-INIZCTEOSA-N 1 2 331.416 2.051 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3cccn3[C@H](COCC(=O)N(C)C)C2)o1 ZINC000306135878 466492252 /nfs/dbraw/zinc/49/22/52/466492252.db2.gz PDRLWQMDUFLXPP-INIZCTEOSA-N 1 2 331.416 2.051 40 0 EEABLO O=S1(=O)CC[C@H]([N@H+](CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419514 468143923 /nfs/dbraw/zinc/14/39/23/468143923.db2.gz AHGXAWXNMGNHEO-SFHVURJKSA-N 1 2 345.464 2.257 40 0 EEABLO O=S1(=O)CC[C@H]([N@@H+](CCO)C(c2ccccc2)c2ccccc2)C1 ZINC000575419514 468143925 /nfs/dbraw/zinc/14/39/25/468143925.db2.gz AHGXAWXNMGNHEO-SFHVURJKSA-N 1 2 345.464 2.257 40 0 EEABLO Cc1nonc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585290087 469010654 /nfs/dbraw/zinc/01/06/54/469010654.db2.gz RRVBSSQUVZEHGC-RCCFBDPRSA-N 1 2 331.416 2.479 40 0 EEABLO Cc1nonc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585290087 469010659 /nfs/dbraw/zinc/01/06/59/469010659.db2.gz RRVBSSQUVZEHGC-RCCFBDPRSA-N 1 2 331.416 2.479 40 0 EEABLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000096461438 534468687 /nfs/dbraw/zinc/46/86/87/534468687.db2.gz OEWJCNHMFONXLB-RDJZCZTQSA-N 1 2 347.463 2.012 40 0 EEABLO CCCCc1[nH]c(CN2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)c[nH+]1 ZINC000257230689 535102151 /nfs/dbraw/zinc/10/21/51/535102151.db2.gz GDLLMXUJYMMKOR-OAHLLOKOSA-N 1 2 331.420 2.130 40 0 EEABLO CCCCc1[nH]cc(CN2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)[nH+]1 ZINC000257230689 535102154 /nfs/dbraw/zinc/10/21/54/535102154.db2.gz GDLLMXUJYMMKOR-OAHLLOKOSA-N 1 2 331.420 2.130 40 0 EEABLO Cc1cccc2c3c([nH]c21)CCN(C(=O)[C@H](C)[NH+]1CCOCC1)C3 ZINC000019236549 202000502 /nfs/dbraw/zinc/00/05/02/202000502.db2.gz UIFUBRYQDMBJGS-AWEZNQCLSA-N 1 2 327.428 2.082 40 0 EEABLO CS(=O)(=O)c1cccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019573573 202014011 /nfs/dbraw/zinc/01/40/11/202014011.db2.gz VFYVJXYADLHGDX-AWEZNQCLSA-N 1 2 331.441 2.260 40 0 EEABLO CS(=O)(=O)c1cccnc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019573573 202014014 /nfs/dbraw/zinc/01/40/14/202014014.db2.gz VFYVJXYADLHGDX-AWEZNQCLSA-N 1 2 331.441 2.260 40 0 EEABLO COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)c1 ZINC000072322112 202364447 /nfs/dbraw/zinc/36/44/47/202364447.db2.gz ZHODSZSSMJZHFR-INIZCTEOSA-N 1 2 339.399 2.382 40 0 biogenic,in-vitro EEABLO COC(=O)[C@H](c1ccccc1F)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000072558432 202365877 /nfs/dbraw/zinc/36/58/77/202365877.db2.gz OXCWNPYPMUXKSO-KRWDZBQOSA-N 1 2 347.390 2.154 40 0 EEABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CCc3cccc(F)c3)CC2)S1 ZINC000073117503 202369149 /nfs/dbraw/zinc/36/91/49/202369149.db2.gz SRGHFCBHEQIIHL-CYBMUJFWSA-N 1 2 335.448 2.394 40 0 EEABLO Cc1occc1C(=O)NC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191313059 239033405 /nfs/dbraw/zinc/03/34/05/239033405.db2.gz SCVWOUIMPQPLGJ-UHFFFAOYSA-N 1 2 345.447 2.329 40 0 EEABLO COc1cccc(C[N@@H+]2CCC[C@]2(C)c2nc(C)cc(C(N)=O)n2)c1 ZINC000257202111 244121186 /nfs/dbraw/zinc/12/11/86/244121186.db2.gz AKMKJTABVXHXEY-LJQANCHMSA-N 1 2 340.427 2.404 40 0 EEABLO COc1cccc(C[N@H+]2CCC[C@]2(C)c2nc(C)cc(C(N)=O)n2)c1 ZINC000257202111 244121193 /nfs/dbraw/zinc/12/11/93/244121193.db2.gz AKMKJTABVXHXEY-LJQANCHMSA-N 1 2 340.427 2.404 40 0 EEABLO CO[C@H]1CC[N@H+](CC(=O)Nc2cc(C)ccc2F)C[C@@]12CCCO2 ZINC000257210175 244146928 /nfs/dbraw/zinc/14/69/28/244146928.db2.gz BTOBMUNHLRJICB-WMZOPIPTSA-N 1 2 336.407 2.343 40 0 EEABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc(C)ccc2F)C[C@@]12CCCO2 ZINC000257210175 244146936 /nfs/dbraw/zinc/14/69/36/244146936.db2.gz BTOBMUNHLRJICB-WMZOPIPTSA-N 1 2 336.407 2.343 40 0 EEABLO CCc1noc(CCC(=O)N2CCC[C@@H]2c2cc[nH+]c(NC)c2)n1 ZINC000257225146 244197471 /nfs/dbraw/zinc/19/74/71/244197471.db2.gz FFAXMTXXXANIDV-CYBMUJFWSA-N 1 2 329.404 2.365 40 0 EEABLO Cc1ccsc1C(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257229727 244209410 /nfs/dbraw/zinc/20/94/10/244209410.db2.gz FZGLDYXCJIUMSF-KRWDZBQOSA-N 1 2 331.441 2.165 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)Cc2cccnc2)CC[N@@H+]1C ZINC000257231758 244215381 /nfs/dbraw/zinc/21/53/81/244215381.db2.gz GIBMUSZFVIHYCF-KRWDZBQOSA-N 1 2 325.412 2.148 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)Cc2cccnc2)CC[N@H+]1C ZINC000257231758 244215389 /nfs/dbraw/zinc/21/53/89/244215389.db2.gz GIBMUSZFVIHYCF-KRWDZBQOSA-N 1 2 325.412 2.148 40 0 EEABLO Cc1cc(N2CCC(c3nccnc3Nc3ncccn3)CC2)nc[nH+]1 ZINC000072369017 203209496 /nfs/dbraw/zinc/20/94/96/203209496.db2.gz QSEAVAGYTBFNDI-UHFFFAOYSA-N 1 2 348.414 2.493 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@@H+]1Cc1cnn(C)c1C ZINC000257232748 244221030 /nfs/dbraw/zinc/22/10/30/244221030.db2.gz GMFIIOCDHDBXIZ-SFHVURJKSA-N 1 2 342.443 2.143 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@H+]1Cc1cnn(C)c1C ZINC000257232748 244221039 /nfs/dbraw/zinc/22/10/39/244221039.db2.gz GMFIIOCDHDBXIZ-SFHVURJKSA-N 1 2 342.443 2.143 40 0 EEABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072355578 203205238 /nfs/dbraw/zinc/20/52/38/203205238.db2.gz SBDBNBWFPPACQA-CQSZACIVSA-N 1 2 335.415 2.399 40 0 EEABLO Cc1cc(N2CC[C@@H](Cc3cncc(-c4cncn4C)n3)C2)nc[nH+]1 ZINC000257241555 244244571 /nfs/dbraw/zinc/24/45/71/244244571.db2.gz HYMSJYVTHJPHNY-AWEZNQCLSA-N 1 2 335.415 2.045 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000257250056 244266240 /nfs/dbraw/zinc/26/62/40/244266240.db2.gz JKVJSWINWCYHPA-GFCCVEGCSA-N 1 2 339.848 2.456 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000257250056 244266245 /nfs/dbraw/zinc/26/62/45/244266245.db2.gz JKVJSWINWCYHPA-GFCCVEGCSA-N 1 2 339.848 2.456 40 0 EEABLO COc1ccc(C[N@@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c(F)c1 ZINC000257255543 244281535 /nfs/dbraw/zinc/28/15/35/244281535.db2.gz KHWOMDDPSCKKTL-INIZCTEOSA-N 1 2 347.390 2.164 40 0 EEABLO COc1ccc(C[N@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c(F)c1 ZINC000257255543 244281544 /nfs/dbraw/zinc/28/15/44/244281544.db2.gz KHWOMDDPSCKKTL-INIZCTEOSA-N 1 2 347.390 2.164 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)[nH+]1 ZINC000257257503 244287747 /nfs/dbraw/zinc/28/77/47/244287747.db2.gz KPXFBCLRHYDOKT-CYBMUJFWSA-N 1 2 340.383 2.151 40 0 EEABLO Nc1c(NCc2c(F)c(F)cc(F)c2F)[nH+]cnc1-n1cccn1 ZINC000095431665 218373630 /nfs/dbraw/zinc/37/36/30/218373630.db2.gz WGGDCZINTCJTHH-UHFFFAOYSA-N 1 2 338.268 2.413 40 0 EEABLO O[C@@H](CN1CC[NH+](Cc2nc3ccccc3s2)CC1)C(F)(F)F ZINC000097378147 219019300 /nfs/dbraw/zinc/01/93/00/219019300.db2.gz KUSGOUWMXXYUDZ-ZDUSSCGKSA-N 1 2 345.390 2.337 40 0 EEABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ncccc1O)c1cccc(F)c1 ZINC000097377869 323322518 /nfs/dbraw/zinc/32/25/18/323322518.db2.gz RZCRDMOPHORUGH-CQSZACIVSA-N 1 2 326.331 2.179 40 0 EEABLO C[NH+]1CCN(C(=O)CSCc2ccccc2Br)CC1 ZINC000008091765 462766118 /nfs/dbraw/zinc/76/61/18/462766118.db2.gz PBGMINLSXAQCPA-UHFFFAOYSA-N 1 2 343.290 2.456 40 0 EEABLO O=C(C[NH+]1CCC(O)(c2cccnc2)CC1)Nc1ccccc1F ZINC000012113226 462844267 /nfs/dbraw/zinc/84/42/67/462844267.db2.gz IRFAQXHGLKWBTM-UHFFFAOYSA-N 1 2 329.375 2.143 40 0 EEABLO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccco1)C2 ZINC000012184697 462847172 /nfs/dbraw/zinc/84/71/72/462847172.db2.gz RUQOPIHXQFPVSR-CYBMUJFWSA-N 1 2 328.416 2.300 40 0 EEABLO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccco1)C2 ZINC000012184697 462847178 /nfs/dbraw/zinc/84/71/78/462847178.db2.gz RUQOPIHXQFPVSR-CYBMUJFWSA-N 1 2 328.416 2.300 40 0 EEABLO COc1cc(-c2[nH]n3cnc4nncc-4c3[nH+]2)ccc1OC(F)F ZINC000017068194 462993984 /nfs/dbraw/zinc/99/39/84/462993984.db2.gz HQKNGMWAGSWYDO-UHFFFAOYSA-N 1 2 332.270 2.278 40 0 EEABLO CCn1nnc2c1[C@@H](COCC1CC1)C[N@H+](Cc1cccnc1)C2 ZINC000096045556 463148800 /nfs/dbraw/zinc/14/88/00/463148800.db2.gz HPLZCXJRMRSJIU-MRXNPFEDSA-N 1 2 327.432 2.219 40 0 EEABLO CCn1nnc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1cccnc1)C2 ZINC000096045556 463148805 /nfs/dbraw/zinc/14/88/05/463148805.db2.gz HPLZCXJRMRSJIU-MRXNPFEDSA-N 1 2 327.432 2.219 40 0 EEABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1Cc1ccc(F)cc1 ZINC000096062090 463161686 /nfs/dbraw/zinc/16/16/86/463161686.db2.gz AUBWJUACGFKXSO-CYBMUJFWSA-N 1 2 326.379 2.239 40 0 EEABLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000096068706 463166108 /nfs/dbraw/zinc/16/61/08/463166108.db2.gz FXDPKBJALASUHN-OAHLLOKOSA-N 1 2 336.823 2.093 40 0 EEABLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000096068706 463166112 /nfs/dbraw/zinc/16/61/12/463166112.db2.gz FXDPKBJALASUHN-OAHLLOKOSA-N 1 2 336.823 2.093 40 0 EEABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000096209255 463212353 /nfs/dbraw/zinc/21/23/53/463212353.db2.gz PVFUHBJSXQZCFU-MRXNPFEDSA-N 1 2 339.439 2.293 40 0 EEABLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC1CC1)C1CCCCC1 ZINC000096404601 463239387 /nfs/dbraw/zinc/23/93/87/463239387.db2.gz YKJAYJNKTNJGQJ-INIZCTEOSA-N 1 2 336.524 2.377 40 0 EEABLO O=C(OCc1ncn(-c2ccccc2)n1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000097098247 463322998 /nfs/dbraw/zinc/32/29/98/463322998.db2.gz YYMXWDNGJLWBMC-UHFFFAOYSA-N 1 2 346.350 2.205 40 0 EEABLO CC(C)(C(=O)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000097377998 463357148 /nfs/dbraw/zinc/35/71/48/463357148.db2.gz DIRCRYPMJJADGK-CQSZACIVSA-N 1 2 344.377 2.032 40 0 EEABLO Cc1cc(=O)[nH]c([C@@H]2C[N@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257343556 463787510 /nfs/dbraw/zinc/78/75/10/463787510.db2.gz ZTMBQCMDZOZAPV-INIZCTEOSA-N 1 2 347.390 2.472 40 0 EEABLO Cc1cc(=O)[nH]c([C@@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257343556 463787514 /nfs/dbraw/zinc/78/75/14/463787514.db2.gz ZTMBQCMDZOZAPV-INIZCTEOSA-N 1 2 347.390 2.472 40 0 EEABLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178279122 463873718 /nfs/dbraw/zinc/87/37/18/463873718.db2.gz GJHCZVKSZWNANG-KGLIPLIRSA-N 1 2 335.414 2.202 40 0 EEABLO CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000195563113 464077794 /nfs/dbraw/zinc/07/77/94/464077794.db2.gz YVDAFHKUYLQJIN-ZWKOTPCHSA-N 1 2 341.455 2.491 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccco1)c1ccco1 ZINC000247490653 464685031 /nfs/dbraw/zinc/68/50/31/464685031.db2.gz MISXUPRCZWPXAB-QRTARXTBSA-N 1 2 330.384 2.282 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccco1)c1ccco1 ZINC000247490653 464685036 /nfs/dbraw/zinc/68/50/36/464685036.db2.gz MISXUPRCZWPXAB-QRTARXTBSA-N 1 2 330.384 2.282 40 0 EEABLO Fc1cccnc1OC[C@H]1CCOC12C[NH+](Cc1ccncc1)C2 ZINC000247512217 464687940 /nfs/dbraw/zinc/68/79/40/464687940.db2.gz ITWVWHPMEQLCQZ-OAHLLOKOSA-N 1 2 329.375 2.286 40 0 EEABLO COc1ncccc1C[N@H+]1Cc2ccnn2C[C@H](OCC2CC2)C1 ZINC000247832675 464708998 /nfs/dbraw/zinc/70/89/98/464708998.db2.gz HWKTUXWSSPQWJB-QGZVFWFLSA-N 1 2 328.416 2.098 40 0 EEABLO COc1ncccc1C[N@@H+]1Cc2ccnn2C[C@H](OCC2CC2)C1 ZINC000247832675 464709004 /nfs/dbraw/zinc/70/90/04/464709004.db2.gz HWKTUXWSSPQWJB-QGZVFWFLSA-N 1 2 328.416 2.098 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)n(C)n1 ZINC000248057214 464727400 /nfs/dbraw/zinc/72/74/00/464727400.db2.gz SSMBHFPJWWGRPG-CQSZACIVSA-N 1 2 348.447 2.402 40 0 EEABLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[S@](=O)C1 ZINC000253429436 465012341 /nfs/dbraw/zinc/01/23/41/465012341.db2.gz SDDMRPXJKDPFBO-YTEVENLXSA-N 1 2 338.864 2.121 40 0 EEABLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[S@](=O)C1 ZINC000253429436 465012346 /nfs/dbraw/zinc/01/23/46/465012346.db2.gz SDDMRPXJKDPFBO-YTEVENLXSA-N 1 2 338.864 2.121 40 0 EEABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccco1)C2)c1ccco1 ZINC000585103076 468970048 /nfs/dbraw/zinc/97/00/48/468970048.db2.gz PQZPBLALMLIORM-AWEZNQCLSA-N 1 2 330.384 2.284 40 0 EEABLO Cc1cccc(OC[C@@]2(O)COCC[N@H+](Cc3ccc(F)cn3)C2)c1 ZINC000585268980 468997428 /nfs/dbraw/zinc/99/74/28/468997428.db2.gz GLABWJQWIJCXMY-IBGZPJMESA-N 1 2 346.402 2.171 40 0 EEABLO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](Cc3ccc(F)cn3)C2)c1 ZINC000585268980 468997431 /nfs/dbraw/zinc/99/74/31/468997431.db2.gz GLABWJQWIJCXMY-IBGZPJMESA-N 1 2 346.402 2.171 40 0 EEABLO COc1cccc([C@@H]2CO[C@]3(C2)C[N@H+](Cc2cc(C)on2)C[C@H]3O)c1 ZINC000585292037 469012266 /nfs/dbraw/zinc/01/22/66/469012266.db2.gz WDHOXIXTZWOQLB-KFKAGJAMSA-N 1 2 344.411 2.111 40 0 EEABLO COc1cccc([C@@H]2CO[C@]3(C2)C[N@@H+](Cc2cc(C)on2)C[C@H]3O)c1 ZINC000585292037 469012271 /nfs/dbraw/zinc/01/22/71/469012271.db2.gz WDHOXIXTZWOQLB-KFKAGJAMSA-N 1 2 344.411 2.111 40 0 EEABLO CC(=O)Nc1cc(C(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)ccn1 ZINC000257214269 534683745 /nfs/dbraw/zinc/68/37/45/534683745.db2.gz CLIMFFHEAFTLQT-OAHLLOKOSA-N 1 2 341.415 2.102 40 0 EEABLO CCOc1ccc(CCC(=O)N2Cc3c[nH+]cn3[C@@H](COC)C2)cc1 ZINC000253613829 535715616 /nfs/dbraw/zinc/71/56/16/535715616.db2.gz OMVJPCKRQKXWMV-QGZVFWFLSA-N 1 2 343.427 2.444 40 0 EEABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)c2sccn12 ZINC000019240777 202001318 /nfs/dbraw/zinc/00/13/18/202001318.db2.gz OJUYLJHRKZIOCY-GFCCVEGCSA-N 1 2 329.429 2.458 40 0 EEABLO CC(C)C(=O)N1CCCC[C@H]1c1nc2c(c(N(C)C)n1)C[N@H+](C)CC2 ZINC000019752347 202019207 /nfs/dbraw/zinc/01/92/07/202019207.db2.gz BTSHUXXGILLXKJ-INIZCTEOSA-N 1 2 345.491 2.240 40 0 EEABLO CC(C)C(=O)N1CCCC[C@H]1c1nc2c(c(N(C)C)n1)C[N@@H+](C)CC2 ZINC000019752347 202019211 /nfs/dbraw/zinc/01/92/11/202019211.db2.gz BTSHUXXGILLXKJ-INIZCTEOSA-N 1 2 345.491 2.240 40 0 EEABLO C[C@@H]1CN=C(N2CC[NH+](CCOCC(F)(F)C(F)F)CC2)S1 ZINC000189702822 237161041 /nfs/dbraw/zinc/16/10/41/237161041.db2.gz PGWWVPPDGIHNIH-SNVBAGLBSA-N 1 2 343.390 2.012 40 0 EEABLO C[NH+]1CCN(S(=O)(=O)c2cccc(COc3ccccc3)c2)CC1 ZINC000072264767 202359626 /nfs/dbraw/zinc/35/96/26/202359626.db2.gz ZLJDLORUVCHWQO-UHFFFAOYSA-N 1 2 346.452 2.202 40 0 EEABLO CNC(=O)c1ccc(C[N@H+](CC(=O)Nc2cccnc2)C2CC2)cc1 ZINC000078405086 202389776 /nfs/dbraw/zinc/38/97/76/202389776.db2.gz YSMRDTLBXMWMQK-UHFFFAOYSA-N 1 2 338.411 2.044 40 0 EEABLO CNC(=O)c1ccc(C[N@@H+](CC(=O)Nc2cccnc2)C2CC2)cc1 ZINC000078405086 202389781 /nfs/dbraw/zinc/38/97/81/202389781.db2.gz YSMRDTLBXMWMQK-UHFFFAOYSA-N 1 2 338.411 2.044 40 0 EEABLO CC(=O)N1CCN(c2cc[nH+]c(C)n2)C[C@H](COc2ccccc2)C1 ZINC000072376714 203208678 /nfs/dbraw/zinc/20/86/78/203208678.db2.gz GDUPEEUVHBJBTD-QGZVFWFLSA-N 1 2 340.427 2.149 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1cccnc1)c1ccco1 ZINC000107257475 204229604 /nfs/dbraw/zinc/22/96/04/204229604.db2.gz RNANTIGPSUUVHE-XYJFISCASA-N 1 2 341.411 2.084 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1cccnc1)c1ccco1 ZINC000107257475 204229607 /nfs/dbraw/zinc/22/96/07/204229607.db2.gz RNANTIGPSUUVHE-XYJFISCASA-N 1 2 341.411 2.084 40 0 EEABLO Cc1nc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)c(C)c(C)[nH+]1 ZINC000095416555 218355992 /nfs/dbraw/zinc/35/59/92/218355992.db2.gz CYQUNRGTTDJBGZ-GFCCVEGCSA-N 1 2 330.354 2.297 40 0 EEABLO CCNC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)[N@H+](C)C1 ZINC000012529808 207165483 /nfs/dbraw/zinc/16/54/83/207165483.db2.gz QKFRTJROUUPZCN-STQMWFEESA-N 1 2 349.822 2.454 40 0 biogenic,in-vitro EEABLO CCNC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)[N@@H+](C)C1 ZINC000012529808 207165484 /nfs/dbraw/zinc/16/54/84/207165484.db2.gz QKFRTJROUUPZCN-STQMWFEESA-N 1 2 349.822 2.454 40 0 biogenic,in-vitro EEABLO CC(C)N1C[NH+]=C2N[C@H](c3cccnc3)n3c4ccccc4nc3N2C1 ZINC000020638712 277631600 /nfs/dbraw/zinc/63/16/00/277631600.db2.gz UYYZUNVSTJAXLW-KRWDZBQOSA-N 1 2 347.426 2.383 40 0 EEABLO O=C(Nc1ccccn1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045184499 462566476 /nfs/dbraw/zinc/56/64/76/462566476.db2.gz VMEAGBPGFUTARK-INIZCTEOSA-N 1 2 326.400 2.277 40 0 EEABLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000090608746 462803067 /nfs/dbraw/zinc/80/30/67/462803067.db2.gz JGUJELHHYRFHPG-QGZVFWFLSA-N 1 2 347.890 2.268 40 0 EEABLO C[C@H](Oc1cccc2ccccc21)C(=O)NCC[NH+]1CCOCC1 ZINC000013709490 462901329 /nfs/dbraw/zinc/90/13/29/462901329.db2.gz RXKQSNGKCKEOMP-HNNXBMFYSA-N 1 2 328.412 2.056 40 0 EEABLO Cc1nc(N(C)C)sc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000093687649 463044562 /nfs/dbraw/zinc/04/45/62/463044562.db2.gz VKSJJUYGGUPOLB-UHFFFAOYSA-N 1 2 335.452 2.374 40 0 EEABLO COc1ccccc1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068370621 463127777 /nfs/dbraw/zinc/12/77/77/463127777.db2.gz RQRGSOQUOABLAF-UHFFFAOYSA-N 1 2 340.423 2.457 40 0 EEABLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1csnn1 ZINC000078917063 463166993 /nfs/dbraw/zinc/16/69/93/463166993.db2.gz GOZVQHDIAWRTFU-SNVBAGLBSA-N 1 2 338.383 2.211 40 0 EEABLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1csnn1 ZINC000078917063 463166998 /nfs/dbraw/zinc/16/69/98/463166998.db2.gz GOZVQHDIAWRTFU-SNVBAGLBSA-N 1 2 338.383 2.211 40 0 EEABLO C[C@@H](Oc1ccccc1Br)C(=O)NCc1[nH+]ccn1C ZINC000079001047 463177674 /nfs/dbraw/zinc/17/76/74/463177674.db2.gz FJVSKQAOBIVMRA-SNVBAGLBSA-N 1 2 338.205 2.266 40 0 EEABLO Cc1cc(C[N@@H+]2C[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)no1 ZINC000096110928 463179638 /nfs/dbraw/zinc/17/96/38/463179638.db2.gz SJIMINGWTSTWTA-WMLDXEAASA-N 1 2 348.472 2.081 40 0 EEABLO Cc1cc(C[N@H+]2C[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)no1 ZINC000096110928 463179645 /nfs/dbraw/zinc/17/96/45/463179645.db2.gz SJIMINGWTSTWTA-WMLDXEAASA-N 1 2 348.472 2.081 40 0 EEABLO Cc1cc(CN2C[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)no1 ZINC000096110928 463179649 /nfs/dbraw/zinc/17/96/49/463179649.db2.gz SJIMINGWTSTWTA-WMLDXEAASA-N 1 2 348.472 2.081 40 0 EEABLO Cc1cc(CN2C[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)no1 ZINC000096110928 463179657 /nfs/dbraw/zinc/17/96/57/463179657.db2.gz SJIMINGWTSTWTA-WMLDXEAASA-N 1 2 348.472 2.081 40 0 EEABLO CCOCC(=O)N1CC[C@@]2(C1)CCC[C@H](CNc1cccc[nH+]1)O2 ZINC000096209922 463214116 /nfs/dbraw/zinc/21/41/16/463214116.db2.gz JUEAWXBBOJNRLM-CRAIPNDOSA-N 1 2 333.432 2.070 40 0 EEABLO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccc(F)cc2)CCO3)o1 ZINC000096226681 463220561 /nfs/dbraw/zinc/22/05/61/463220561.db2.gz UKAROBVSYZVWBR-GOSISDBHSA-N 1 2 346.406 2.389 40 0 EEABLO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccc(F)cc2)CCO3)o1 ZINC000096226681 463220564 /nfs/dbraw/zinc/22/05/64/463220564.db2.gz UKAROBVSYZVWBR-GOSISDBHSA-N 1 2 346.406 2.389 40 0 EEABLO Cn1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1=O ZINC000080312366 463307015 /nfs/dbraw/zinc/30/70/15/463307015.db2.gz UIPNVLBFTFUZDC-MJGOQNOKSA-N 1 2 348.406 2.240 40 0 EEABLO C[C@@H]1C[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C[C@H](C)O1 ZINC000044871484 463696932 /nfs/dbraw/zinc/69/69/32/463696932.db2.gz OHQJSBIAIICKMO-BETUJISGSA-N 1 2 333.457 2.064 40 0 EEABLO C[C@@H]1C[N@H+](CC(=O)NCCc2nc3ccccc3s2)C[C@H](C)O1 ZINC000044871484 463696935 /nfs/dbraw/zinc/69/69/35/463696935.db2.gz OHQJSBIAIICKMO-BETUJISGSA-N 1 2 333.457 2.064 40 0 EEABLO CC(C)Oc1ccc([C@H]2CN(C(=O)c3nccn3C)CC[N@@H+]2C)cc1 ZINC000257333723 463782299 /nfs/dbraw/zinc/78/22/99/463782299.db2.gz YCUDHMWLLODLFX-QGZVFWFLSA-N 1 2 342.443 2.336 40 0 EEABLO CC(C)Oc1ccc([C@H]2CN(C(=O)c3nccn3C)CC[N@H+]2C)cc1 ZINC000257333723 463782306 /nfs/dbraw/zinc/78/23/06/463782306.db2.gz YCUDHMWLLODLFX-QGZVFWFLSA-N 1 2 342.443 2.336 40 0 EEABLO CC(=O)NCc1ccnc([C@@H]2C[N@H+](Cc3ccc(C)s3)CCO2)n1 ZINC000257333369 463783113 /nfs/dbraw/zinc/78/31/13/463783113.db2.gz YBHFYMBWOWLWSM-INIZCTEOSA-N 1 2 346.456 2.056 40 0 EEABLO CC(=O)NCc1ccnc([C@@H]2C[N@@H+](Cc3ccc(C)s3)CCO2)n1 ZINC000257333369 463783119 /nfs/dbraw/zinc/78/31/19/463783119.db2.gz YBHFYMBWOWLWSM-INIZCTEOSA-N 1 2 346.456 2.056 40 0 EEABLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(N(C)C)no2)c1 ZINC000185242574 463785730 /nfs/dbraw/zinc/78/57/30/463785730.db2.gz FSWMHJCEPRNNLS-AWEZNQCLSA-N 1 2 332.404 2.490 40 0 EEABLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(N(C)C)no2)c1 ZINC000185242574 463785732 /nfs/dbraw/zinc/78/57/32/463785732.db2.gz FSWMHJCEPRNNLS-AWEZNQCLSA-N 1 2 332.404 2.490 40 0 EEABLO CN(C)c1noc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000185273932 463792569 /nfs/dbraw/zinc/79/25/69/463792569.db2.gz ADKAYBNDZMCGBX-UHFFFAOYSA-N 1 2 347.394 2.125 40 0 EEABLO Fc1cccc(O[C@@H]2CCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC000225485266 464164780 /nfs/dbraw/zinc/16/47/80/464164780.db2.gz AUHWQLFCUXOGFV-MRXNPFEDSA-N 1 2 344.390 2.110 40 0 EEABLO Fc1cccc(O[C@@H]2CCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000225485266 464164789 /nfs/dbraw/zinc/16/47/89/464164789.db2.gz AUHWQLFCUXOGFV-MRXNPFEDSA-N 1 2 344.390 2.110 40 0 EEABLO C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)[C@@H]1COc2ccccc21 ZINC000225482872 464165028 /nfs/dbraw/zinc/16/50/28/464165028.db2.gz QTTYDJMOJCYHCF-HIFRSBDPSA-N 1 2 326.400 2.290 40 0 EEABLO C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)[C@@H]1COc2ccccc21 ZINC000225482872 464165036 /nfs/dbraw/zinc/16/50/36/464165036.db2.gz QTTYDJMOJCYHCF-HIFRSBDPSA-N 1 2 326.400 2.290 40 0 EEABLO O=S(=O)(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCO2 ZINC000180158115 464254711 /nfs/dbraw/zinc/25/47/11/464254711.db2.gz YADOZQFJMUMGFP-UHFFFAOYSA-N 1 2 343.364 2.402 40 0 EEABLO Cn1cccc1C(=O)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000248098943 464728740 /nfs/dbraw/zinc/72/87/40/464728740.db2.gz DIRCSWVZBYABFU-OAHLLOKOSA-N 1 2 340.427 2.153 40 0 EEABLO COc1cc[nH+]c(CN(C)[C@H]2CCN(c3ccccc3)C2=O)c1OC ZINC000190865997 464735299 /nfs/dbraw/zinc/73/52/99/464735299.db2.gz ZBSFHGURWQIDOH-INIZCTEOSA-N 1 2 341.411 2.336 40 0 EEABLO O=C1NCCN1C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000191153345 464786186 /nfs/dbraw/zinc/78/61/86/464786186.db2.gz XDPVHKSNNCCHHV-UHFFFAOYSA-N 1 2 328.210 2.032 40 0 EEABLO CC[N@@H+]1C[C@H](c2ccccc2)OC[C@]12CCN(C(=O)NC1CC1)C2 ZINC000306143623 466493291 /nfs/dbraw/zinc/49/32/91/466493291.db2.gz YHAHWYYQMUUPTO-IEBWSBKVSA-N 1 2 329.444 2.396 40 0 EEABLO CC[N@H+]1C[C@H](c2ccccc2)OC[C@]12CCN(C(=O)NC1CC1)C2 ZINC000306143623 466493299 /nfs/dbraw/zinc/49/32/99/466493299.db2.gz YHAHWYYQMUUPTO-IEBWSBKVSA-N 1 2 329.444 2.396 40 0 EEABLO Cc1c(C[N@@H+]2Cc3ccnn3CC[C@@H]2COCC2CC2)cnn1C ZINC000585097663 468965628 /nfs/dbraw/zinc/96/56/28/468965628.db2.gz PEBWXYJSSOBITA-GOSISDBHSA-N 1 2 329.448 2.126 40 0 EEABLO Cc1c(C[N@H+]2Cc3ccnn3CC[C@@H]2COCC2CC2)cnn1C ZINC000585097663 468965632 /nfs/dbraw/zinc/96/56/32/468965632.db2.gz PEBWXYJSSOBITA-GOSISDBHSA-N 1 2 329.448 2.126 40 0 EEABLO CCC(=O)N1CCC[C@H](Cc2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000585261125 468995899 /nfs/dbraw/zinc/99/58/99/468995899.db2.gz CWDBGDWNMBYBNR-CQSZACIVSA-N 1 2 327.432 2.377 40 0 EEABLO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019573588 202012895 /nfs/dbraw/zinc/01/28/95/202012895.db2.gz YCKQSUKCGLBPPQ-OAHLLOKOSA-N 1 2 331.441 2.260 40 0 EEABLO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019573588 202012901 /nfs/dbraw/zinc/01/29/01/202012901.db2.gz YCKQSUKCGLBPPQ-OAHLLOKOSA-N 1 2 331.441 2.260 40 0 EEABLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000240412913 295952275 /nfs/dbraw/zinc/95/22/75/295952275.db2.gz FORPVZWALSNYPU-OAHLLOKOSA-N 1 2 349.394 2.363 40 0 EEABLO Cn1nnnc1C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000225725802 242005026 /nfs/dbraw/zinc/00/50/26/242005026.db2.gz DLYUHCAFZWPCNS-UHFFFAOYSA-N 1 2 336.237 2.352 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)[nH+]1 ZINC000257200441 244117784 /nfs/dbraw/zinc/11/77/84/244117784.db2.gz ADINUMSYPKMGPC-AWEZNQCLSA-N 1 2 338.415 2.018 40 0 EEABLO CCc1noc(CCC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257222693 244191892 /nfs/dbraw/zinc/19/18/92/244191892.db2.gz DUJMUDRXHPPZSE-CQSZACIVSA-N 1 2 343.431 2.389 40 0 EEABLO O=c1[nH]c(N2CCCC2)nc2c1C[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000072347462 203203354 /nfs/dbraw/zinc/20/33/54/203203354.db2.gz UXQOFXGTZNIVQH-UHFFFAOYSA-N 1 2 346.381 2.207 40 0 EEABLO O=c1[nH]c(N2CCCC2)nc2c1C[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000072347462 203203359 /nfs/dbraw/zinc/20/33/59/203203359.db2.gz UXQOFXGTZNIVQH-UHFFFAOYSA-N 1 2 346.381 2.207 40 0 EEABLO Cc1ccccc1Oc1cncc([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072361862 203205855 /nfs/dbraw/zinc/20/58/55/203205855.db2.gz GCMAWTVQRSZWCS-CQSZACIVSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072361862 203205858 /nfs/dbraw/zinc/20/58/58/203205858.db2.gz GCMAWTVQRSZWCS-CQSZACIVSA-N 1 2 326.400 2.242 40 0 EEABLO C[C@@H](CCO)[NH+]1CCC(Cc2cc(Nc3nncs3)ncn2)CC1 ZINC000072363689 203206832 /nfs/dbraw/zinc/20/68/32/203206832.db2.gz SKWUQPUWRLYRGW-LBPRGKRZSA-N 1 2 348.476 2.097 40 0 EEABLO Cc1cc(N2CC[C@H](Cc3cncc(-c4cncn4C)n3)C2)nc[nH+]1 ZINC000257241556 244244915 /nfs/dbraw/zinc/24/49/15/244244915.db2.gz HYMSJYVTHJPHNY-CQSZACIVSA-N 1 2 335.415 2.045 40 0 EEABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)cc[nH+]1 ZINC000257260591 244348010 /nfs/dbraw/zinc/34/80/10/244348010.db2.gz LDMVVQDSYMLZBO-OAHLLOKOSA-N 1 2 327.432 2.412 40 0 EEABLO O=C(Nc1ccnc2ccnn21)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000096411710 284380958 /nfs/dbraw/zinc/38/09/58/284380958.db2.gz GSFCVURKQCYLTE-HNNXBMFYSA-N 1 2 336.399 2.118 40 0 EEABLO O=C(Nc1ccnc2ccnn21)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000096411710 284380960 /nfs/dbraw/zinc/38/09/60/284380960.db2.gz GSFCVURKQCYLTE-HNNXBMFYSA-N 1 2 336.399 2.118 40 0 EEABLO O=C(C[NH+]1CCC(O)(c2cccnc2)CC1)Nc1ccc(F)cc1 ZINC000012113218 462844290 /nfs/dbraw/zinc/84/42/90/462844290.db2.gz KROLFFUDILDOBS-UHFFFAOYSA-N 1 2 329.375 2.143 40 0 EEABLO Cc1ncsc1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000078918195 463166928 /nfs/dbraw/zinc/16/69/28/463166928.db2.gz YZWYBKDEBHRKAY-INIZCTEOSA-N 1 2 345.468 2.125 40 0 EEABLO Cn1cc[nH+]c1CN1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 ZINC000096074725 463167015 /nfs/dbraw/zinc/16/70/15/463167015.db2.gz ZIWJJDSRZGIDTJ-LJQANCHMSA-N 1 2 344.434 2.431 40 0 EEABLO Fc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)cc1 ZINC000096074833 463167460 /nfs/dbraw/zinc/16/74/60/463167460.db2.gz FAFFUSQRIUEEEE-IBGZPJMESA-N 1 2 342.418 2.487 40 0 EEABLO Fc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)cc1 ZINC000096074833 463167461 /nfs/dbraw/zinc/16/74/61/463167461.db2.gz FAFFUSQRIUEEEE-IBGZPJMESA-N 1 2 342.418 2.487 40 0 EEABLO C[C@@H](OCC1CC1)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000096406386 463240730 /nfs/dbraw/zinc/24/07/30/463240730.db2.gz IGACYICXMXLLQD-IAQYHMDHSA-N 1 2 326.387 2.499 40 0 EEABLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096426515 463256136 /nfs/dbraw/zinc/25/61/36/463256136.db2.gz ZWIYOKRVUCYAGV-HZPDHXFCSA-N 1 2 341.411 2.354 40 0 EEABLO NC(=O)[C@H]([NH2+]Cc1cccnc1)c1ccc(Br)cc1F ZINC000096436808 463264388 /nfs/dbraw/zinc/26/43/88/463264388.db2.gz FYEHGOSCLBSCII-CYBMUJFWSA-N 1 2 338.180 2.299 40 0 EEABLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccncc3Cl)CC2)S1 ZINC000096461157 463276803 /nfs/dbraw/zinc/27/68/03/463276803.db2.gz GPVDBJHMCQYBJD-UHFFFAOYSA-N 1 2 338.864 2.374 40 0 EEABLO O=C(N[C@H]1C[N@H+](CCCO)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000096496450 463289395 /nfs/dbraw/zinc/28/93/95/463289395.db2.gz PKMCUJUNGFRVHB-KBPBESRZSA-N 1 2 348.340 2.045 40 0 EEABLO O=C(N[C@H]1C[N@@H+](CCCO)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000096496450 463289402 /nfs/dbraw/zinc/28/94/02/463289402.db2.gz PKMCUJUNGFRVHB-KBPBESRZSA-N 1 2 348.340 2.045 40 0 EEABLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCc2ccccc2F)CC1 ZINC000137564029 463297648 /nfs/dbraw/zinc/29/76/48/463297648.db2.gz YUEVSNPWJIAXBH-KRWDZBQOSA-N 1 2 347.478 2.387 40 0 EEABLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCc2ccccc2F)CC1 ZINC000137564029 463297652 /nfs/dbraw/zinc/29/76/52/463297652.db2.gz YUEVSNPWJIAXBH-KRWDZBQOSA-N 1 2 347.478 2.387 40 0 EEABLO Cn1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1=O ZINC000080312355 463307162 /nfs/dbraw/zinc/30/71/62/463307162.db2.gz UIPNVLBFTFUZDC-HKUYNNGSSA-N 1 2 348.406 2.240 40 0 EEABLO COc1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1OC ZINC000097230496 463351012 /nfs/dbraw/zinc/35/10/12/463351012.db2.gz RLGBLIJHLSWRMJ-UHFFFAOYSA-N 1 2 348.834 2.469 40 0 EEABLO Cc1ccc(-c2ccc(C(=O)NCC[NH+]3CCOCC3)c(C)n2)cc1 ZINC000257173155 463756404 /nfs/dbraw/zinc/75/64/04/463756404.db2.gz DZOMDSZDCVMAPS-UHFFFAOYSA-N 1 2 339.439 2.427 40 0 EEABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1cccc(F)c1 ZINC000257298469 463767595 /nfs/dbraw/zinc/76/75/95/463767595.db2.gz RLTQEWAGAVDLIE-SFHVURJKSA-N 1 2 328.391 2.195 40 0 EEABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1cccc(F)c1 ZINC000257298469 463767599 /nfs/dbraw/zinc/76/75/99/463767599.db2.gz RLTQEWAGAVDLIE-SFHVURJKSA-N 1 2 328.391 2.195 40 0 EEABLO CN(C)c1nc(N(C)C)c(NC(=O)Cc2ccc(Cl)cc2)c[nH+]1 ZINC000224350023 464151707 /nfs/dbraw/zinc/15/17/07/464151707.db2.gz RIKIJEFQVSBGMB-UHFFFAOYSA-N 1 2 333.823 2.443 40 0 EEABLO COc1ccc(CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)cc1OC ZINC000225517302 464167903 /nfs/dbraw/zinc/16/79/03/464167903.db2.gz LIYPRXCUTSRKNK-AWEZNQCLSA-N 1 2 343.427 2.199 40 0 EEABLO COc1ccc(CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)cc1OC ZINC000225517302 464167907 /nfs/dbraw/zinc/16/79/07/464167907.db2.gz LIYPRXCUTSRKNK-AWEZNQCLSA-N 1 2 343.427 2.199 40 0 EEABLO Cc1cc([C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CCO2)ccc1F ZINC000189369273 464486842 /nfs/dbraw/zinc/48/68/42/464486842.db2.gz BBQBZKLEXXUKII-KRWDZBQOSA-N 1 2 331.391 2.400 40 0 EEABLO CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245569759 464496137 /nfs/dbraw/zinc/49/61/37/464496137.db2.gz AULKNMMGDAKYIW-GXTWGEPZSA-N 1 2 337.786 2.163 40 0 EEABLO CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245569759 464496141 /nfs/dbraw/zinc/49/61/41/464496141.db2.gz AULKNMMGDAKYIW-GXTWGEPZSA-N 1 2 337.786 2.163 40 0 EEABLO CC[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245569759 464496148 /nfs/dbraw/zinc/49/61/48/464496148.db2.gz AULKNMMGDAKYIW-GXTWGEPZSA-N 1 2 337.786 2.163 40 0 EEABLO CC[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245569759 464496154 /nfs/dbraw/zinc/49/61/54/464496154.db2.gz AULKNMMGDAKYIW-GXTWGEPZSA-N 1 2 337.786 2.163 40 0 EEABLO Cn1c[nH+]cc1CN1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000182577075 464685721 /nfs/dbraw/zinc/68/57/21/464685721.db2.gz YDKBXMBJWWTRDN-CQSZACIVSA-N 1 2 338.333 2.112 40 0 EEABLO Fc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2cnccn2)CCO3)cc1 ZINC000247518849 464688877 /nfs/dbraw/zinc/68/88/77/464688877.db2.gz KTWLCLQODIDAHZ-MRXNPFEDSA-N 1 2 329.375 2.428 40 0 EEABLO Cc1ccsc1C[N@@H+]1Cc2ncn(C)c2[C@H](C(=O)NCC2CC2)C1 ZINC000248068491 464727662 /nfs/dbraw/zinc/72/76/62/464727662.db2.gz WSGYIJBMYPUJPA-CQSZACIVSA-N 1 2 344.484 2.416 40 0 EEABLO Cc1ccsc1C[N@H+]1Cc2ncn(C)c2[C@H](C(=O)NCC2CC2)C1 ZINC000248068491 464727667 /nfs/dbraw/zinc/72/76/67/464727667.db2.gz WSGYIJBMYPUJPA-CQSZACIVSA-N 1 2 344.484 2.416 40 0 EEABLO CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000253398604 465001855 /nfs/dbraw/zinc/00/18/55/465001855.db2.gz XMNMAHLWEBNLTD-MRXNPFEDSA-N 1 2 332.448 2.106 40 0 EEABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cnc2ccccc2c1 ZINC000585094570 468963690 /nfs/dbraw/zinc/96/36/90/468963690.db2.gz BWRYHHNFPKYVDS-OAHLLOKOSA-N 1 2 336.395 2.182 40 0 EEABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](CNC(=O)N2CCCC2)CO3)o1 ZINC000585105284 468972218 /nfs/dbraw/zinc/97/22/18/468972218.db2.gz SFTMOAASBPEIJA-INIZCTEOSA-N 1 2 347.459 2.374 40 0 EEABLO O=C(NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)C1CC1 ZINC000585113001 468976382 /nfs/dbraw/zinc/97/63/82/468976382.db2.gz ZRPUVPPUXRWZBO-CQSZACIVSA-N 1 2 330.457 2.418 40 0 EEABLO O=C(NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)C1CC1 ZINC000585113001 468976389 /nfs/dbraw/zinc/97/63/89/468976389.db2.gz ZRPUVPPUXRWZBO-CQSZACIVSA-N 1 2 330.457 2.418 40 0 EEABLO CC(=O)Nc1cc(C(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)ccn1 ZINC000257214268 534683733 /nfs/dbraw/zinc/68/37/33/534683733.db2.gz CLIMFFHEAFTLQT-HNNXBMFYSA-N 1 2 341.415 2.102 40 0 EEABLO CNS(=O)(=O)c1cccc(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000066988948 215100995 /nfs/dbraw/zinc/10/09/95/215100995.db2.gz TYAFBMXBTJYKIY-UHFFFAOYSA-N 1 2 326.368 2.163 40 0 EEABLO Cc1nc(NC2=[NH+]CN(Cc3ccccn3)CN2)nc2ccccc12 ZINC000019330690 202004613 /nfs/dbraw/zinc/00/46/13/202004613.db2.gz IVTXJOPKCUYKAE-UHFFFAOYSA-N 1 2 333.399 2.122 40 0 EEABLO NC(=O)CN1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000193235671 283288476 /nfs/dbraw/zinc/28/84/76/283288476.db2.gz CMYFNOYGWYEGDV-UHFFFAOYSA-N 1 2 330.259 2.029 40 0 EEABLO NC(=O)C[NH+]1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000193235671 283288478 /nfs/dbraw/zinc/28/84/78/283288478.db2.gz CMYFNOYGWYEGDV-UHFFFAOYSA-N 1 2 330.259 2.029 40 0 EEABLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000189577041 237037572 /nfs/dbraw/zinc/03/75/72/237037572.db2.gz HYVKEZKPYXPJFO-RYUDHWBXSA-N 1 2 332.477 2.486 40 0 EEABLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000189577041 237037581 /nfs/dbraw/zinc/03/75/81/237037581.db2.gz HYVKEZKPYXPJFO-RYUDHWBXSA-N 1 2 332.477 2.486 40 0 EEABLO COc1cnccc1[C@@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000189652538 237106443 /nfs/dbraw/zinc/10/64/43/237106443.db2.gz VPKRXFPROPCKRW-CYBMUJFWSA-N 1 2 339.399 2.341 40 0 EEABLO CC(C)C[C@H]1COCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000073038302 202368479 /nfs/dbraw/zinc/36/84/79/202368479.db2.gz QCSWTOXXXPJJGL-INIZCTEOSA-N 1 2 334.464 2.218 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[N@@H+]1C ZINC000257206236 244133745 /nfs/dbraw/zinc/13/37/45/244133745.db2.gz BCNLMESZXJANDN-KRWDZBQOSA-N 1 2 342.443 2.093 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[N@H+]1C ZINC000257206236 244133751 /nfs/dbraw/zinc/13/37/51/244133751.db2.gz BCNLMESZXJANDN-KRWDZBQOSA-N 1 2 342.443 2.093 40 0 EEABLO c1ncc(C[N@@H+]2CCC[C@@H](c3nccnc3Nc3cnccn3)C2)[nH]1 ZINC000257200580 244116987 /nfs/dbraw/zinc/11/69/87/244116987.db2.gz ADWIPJFQDXIMTO-CYBMUJFWSA-N 1 2 336.403 2.113 40 0 EEABLO c1ncc(C[N@H+]2CCC[C@@H](c3nccnc3Nc3cnccn3)C2)[nH]1 ZINC000257200580 244116997 /nfs/dbraw/zinc/11/69/97/244116997.db2.gz ADWIPJFQDXIMTO-CYBMUJFWSA-N 1 2 336.403 2.113 40 0 EEABLO O=C(c1cnccn1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378755 203211077 /nfs/dbraw/zinc/21/10/77/203211077.db2.gz ZABQZAIJUPBWQS-CQSZACIVSA-N 1 2 334.383 2.077 40 0 EEABLO COc1ccccc1[C@H]1C[N@H+](Cc2ccccn2)CCN1C(C)=O ZINC000257262328 244350409 /nfs/dbraw/zinc/35/04/09/244350409.db2.gz LKYSRNBLNYZTCI-GOSISDBHSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccccc1[C@H]1C[N@@H+](Cc2ccccn2)CCN1C(C)=O ZINC000257262328 244350414 /nfs/dbraw/zinc/35/04/14/244350414.db2.gz LKYSRNBLNYZTCI-GOSISDBHSA-N 1 2 325.412 2.496 40 0 EEABLO Cc1cccc2[nH+]c(CN3C(=O)c4ccccc4CS3(=O)=O)cn21 ZINC000096410880 218765866 /nfs/dbraw/zinc/76/58/66/218765866.db2.gz VBJJLULQZIMIIQ-UHFFFAOYSA-N 1 2 341.392 2.129 40 0 EEABLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)[C@H](C)C2 ZINC000241231192 292360885 /nfs/dbraw/zinc/36/08/85/292360885.db2.gz KSXWBVBPJOKJTP-DQEVTTJGSA-N 1 2 343.471 2.343 40 0 EEABLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)[C@H](C)C2 ZINC000241231192 292360887 /nfs/dbraw/zinc/36/08/87/292360887.db2.gz KSXWBVBPJOKJTP-DQEVTTJGSA-N 1 2 343.471 2.343 40 0 EEABLO O=C1CCCN1C[C@@H]1Cn2ccnc2C[N@H+](Cc2ccsc2)C1 ZINC000096188413 280252513 /nfs/dbraw/zinc/25/25/13/280252513.db2.gz JHBGLOUPXRAOGO-HNNXBMFYSA-N 1 2 330.457 2.199 40 0 EEABLO O=C1CCCN1C[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccsc2)C1 ZINC000096188413 280252514 /nfs/dbraw/zinc/25/25/14/280252514.db2.gz JHBGLOUPXRAOGO-HNNXBMFYSA-N 1 2 330.457 2.199 40 0 EEABLO O=C1CCCN1C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccsc2)C1 ZINC000096188413 280252518 /nfs/dbraw/zinc/25/25/18/280252518.db2.gz JHBGLOUPXRAOGO-HNNXBMFYSA-N 1 2 330.457 2.199 40 0 EEABLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)C[C@@H]21 ZINC000253420872 290080484 /nfs/dbraw/zinc/08/04/84/290080484.db2.gz DNCBKYSIQCQTJZ-MJBXVCDLSA-N 1 2 349.397 2.222 40 0 EEABLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)C[C@@H]21 ZINC000253420872 290080486 /nfs/dbraw/zinc/08/04/86/290080486.db2.gz DNCBKYSIQCQTJZ-MJBXVCDLSA-N 1 2 349.397 2.222 40 0 EEABLO Cc1nc(CO[C@@H]2C[N@H+](Cc3nccs3)[C@@H]3COC[C@H]23)cs1 ZINC000096055879 463158196 /nfs/dbraw/zinc/15/81/96/463158196.db2.gz QZJDKUGFBJTFBN-BFHYXJOUSA-N 1 2 337.470 2.324 40 0 EEABLO Cc1nc(CO[C@@H]2C[N@@H+](Cc3nccs3)[C@@H]3COC[C@H]23)cs1 ZINC000096055879 463158198 /nfs/dbraw/zinc/15/81/98/463158198.db2.gz QZJDKUGFBJTFBN-BFHYXJOUSA-N 1 2 337.470 2.324 40 0 EEABLO COC[C@H]1c2nnn(C)c2CC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000096068705 463165745 /nfs/dbraw/zinc/16/57/45/463165745.db2.gz FXDPKBJALASUHN-HNNXBMFYSA-N 1 2 336.823 2.093 40 0 EEABLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000096068705 463165754 /nfs/dbraw/zinc/16/57/54/463165754.db2.gz FXDPKBJALASUHN-HNNXBMFYSA-N 1 2 336.823 2.093 40 0 EEABLO Cc1nc(CN2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2nccs2)cs1 ZINC000096184022 463195516 /nfs/dbraw/zinc/19/55/16/463195516.db2.gz USDUFMNFGJHHKN-OLZOCXBDSA-N 1 2 334.470 2.283 40 0 EEABLO Cc1nc(CN2C(=O)C[C@H]3[C@H]2CC[N@H+]3Cc2nccs2)cs1 ZINC000096184022 463195518 /nfs/dbraw/zinc/19/55/18/463195518.db2.gz USDUFMNFGJHHKN-OLZOCXBDSA-N 1 2 334.470 2.283 40 0 EEABLO CN(Cc1cn2c(n1)C[N@@H+](Cc1cccnc1)CC2)Cc1cccnc1 ZINC000096197486 463203044 /nfs/dbraw/zinc/20/30/44/463203044.db2.gz DWNLBXFRMXIEIF-UHFFFAOYSA-N 1 2 348.454 2.321 40 0 EEABLO CN(Cc1cn2c(n1)C[N@H+](Cc1cccnc1)CC2)Cc1cccnc1 ZINC000096197486 463203049 /nfs/dbraw/zinc/20/30/49/463203049.db2.gz DWNLBXFRMXIEIF-UHFFFAOYSA-N 1 2 348.454 2.321 40 0 EEABLO COC(=O)[C@@H]1CCCN1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000079311379 463204518 /nfs/dbraw/zinc/20/45/18/463204518.db2.gz OQXRPEOQNYRBSG-LBPRGKRZSA-N 1 2 338.205 2.234 40 0 EEABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000096206541 463208732 /nfs/dbraw/zinc/20/87/32/463208732.db2.gz 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463285322 /nfs/dbraw/zinc/28/53/22/463285322.db2.gz ZEBJMBBADHDHQP-HOCLYGCPSA-N 1 2 338.473 2.225 40 0 EEABLO CCc1nn(C)cc1C[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000097235388 463352279 /nfs/dbraw/zinc/35/22/79/463352279.db2.gz NFFLATUBZQLJDP-UHFFFAOYSA-N 1 2 326.444 2.249 40 0 EEABLO CCN(CC)S(=O)(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257300749 463769071 /nfs/dbraw/zinc/76/90/71/463769071.db2.gz RVOHTZOXJCSGGW-UHFFFAOYSA-N 1 2 325.478 2.231 40 0 EEABLO C[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H]1c1ccccc1 ZINC000257328301 463780195 /nfs/dbraw/zinc/78/01/95/463780195.db2.gz XFBLTCDBYAILFP-SFHVURJKSA-N 1 2 347.422 2.396 40 0 EEABLO C[N@H+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H]1c1ccccc1 ZINC000257328301 463780199 /nfs/dbraw/zinc/78/01/99/463780199.db2.gz XFBLTCDBYAILFP-SFHVURJKSA-N 1 2 347.422 2.396 40 0 EEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)[nH+]1 ZINC000257334268 463782768 /nfs/dbraw/zinc/78/27/68/463782768.db2.gz YFEYMBASJKQNHL-ZDUSSCGKSA-N 1 2 326.400 2.327 40 0 EEABLO Cc1cc(N2CCC[C@H](Cc3nccnc3-c3cncn3C)C2)nc[nH+]1 ZINC000257336583 463784170 /nfs/dbraw/zinc/78/41/70/463784170.db2.gz YPBPAUIEYBQJBM-OAHLLOKOSA-N 1 2 349.442 2.435 40 0 EEABLO CN(C(=O)c1ccc2n[nH]nc2c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257343207 463787580 /nfs/dbraw/zinc/78/75/80/463787580.db2.gz ZRXFIJKEPPAUGR-AWEZNQCLSA-N 1 2 336.399 2.094 40 0 EEABLO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225601969 464174901 /nfs/dbraw/zinc/17/49/01/464174901.db2.gz UCVMVECPMQDWJD-GOSISDBHSA-N 1 2 336.432 2.151 40 0 EEABLO Cc1cc2nnc(SCCC[NH+]3CCN(C(C)C)CC3)n2c(C)n1 ZINC000188295821 464246697 /nfs/dbraw/zinc/24/66/97/464246697.db2.gz WAIKIFASFQZQFD-UHFFFAOYSA-N 1 2 348.520 2.249 40 0 EEABLO Cn1c[nH+]cc1CN1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000182577054 464685731 /nfs/dbraw/zinc/68/57/31/464685731.db2.gz YDKBXMBJWWTRDN-AWEZNQCLSA-N 1 2 338.333 2.112 40 0 EEABLO C[C@H](C[S@@](C)=O)[N@H+](C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000248721152 464792194 /nfs/dbraw/zinc/79/21/94/464792194.db2.gz 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/nfs/dbraw/zinc/98/06/82/539980682.db2.gz HYFXYVOGJKLLNV-UHFFFAOYSA-N 1 2 340.376 2.071 40 0 EEABLO C[C@H](C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000092008022 203078111 /nfs/dbraw/zinc/07/81/11/203078111.db2.gz IYIJQBFBVDUAHL-JTNHKYCSSA-N 1 2 341.249 2.127 40 0 EEABLO C[C@H](C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000092008022 203078113 /nfs/dbraw/zinc/07/81/13/203078113.db2.gz IYIJQBFBVDUAHL-JTNHKYCSSA-N 1 2 341.249 2.127 40 0 EEABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)Cc1cccs1 ZINC000257222157 244188100 /nfs/dbraw/zinc/18/81/00/244188100.db2.gz DSEAXDQLLPOCRS-GOSISDBHSA-N 1 2 345.468 2.176 40 0 EEABLO CN(C)C(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000072366069 203208290 /nfs/dbraw/zinc/20/82/90/203208290.db2.gz VBSDDFAOKSXRNY-OAHLLOKOSA-N 1 2 333.432 2.270 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1cccnc1)c1ccco1 ZINC000107257467 204229940 /nfs/dbraw/zinc/22/99/40/204229940.db2.gz RNANTIGPSUUVHE-LZLYRXPVSA-N 1 2 341.411 2.084 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1cccnc1)c1ccco1 ZINC000107257467 204229944 /nfs/dbraw/zinc/22/99/44/204229944.db2.gz RNANTIGPSUUVHE-LZLYRXPVSA-N 1 2 341.411 2.084 40 0 EEABLO O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040040323 132397842 /nfs/dbraw/zinc/39/78/42/132397842.db2.gz JOAHZMPVYKZNEU-UHFFFAOYSA-N 1 2 347.422 2.159 40 0 EEABLO COC(=O)[C@@H](C)CN(Cc1ccccc1)c1[nH+]cnc2c1cnn2C ZINC000097229084 277074660 /nfs/dbraw/zinc/07/46/60/277074660.db2.gz IWEVETXEOFAZQE-ZDUSSCGKSA-N 1 2 339.399 2.179 40 0 EEABLO CO[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(C)C ZINC000073873311 463664949 /nfs/dbraw/zinc/66/49/49/463664949.db2.gz RTQAJRPGNYLWRY-INIZCTEOSA-N 1 2 334.395 2.482 40 0 EEABLO Fc1ccc(C[NH+]2CCN(c3ncc4c(n3)CCOC4)CC2)cc1F ZINC000019292947 463016313 /nfs/dbraw/zinc/01/63/13/463016313.db2.gz LXTOIWHVEXRRBN-UHFFFAOYSA-N 1 2 346.381 2.150 40 0 EEABLO c1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)co1 ZINC000019406232 463017735 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COc1ccccc1[C@@H]1CN(C(=O)CCn2nccc2C)CC[N@@H+]1C ZINC000257295040 463765935 /nfs/dbraw/zinc/76/59/35/463765935.db2.gz QWRIEYAHIBJOAC-KRWDZBQOSA-N 1 2 342.443 2.106 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)CCn2nccc2C)CC[N@H+]1C ZINC000257295040 463765942 /nfs/dbraw/zinc/76/59/42/463765942.db2.gz QWRIEYAHIBJOAC-KRWDZBQOSA-N 1 2 342.443 2.106 40 0 EEABLO CCc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(C)=O)CCO3)c2)s1 ZINC000257305022 463770404 /nfs/dbraw/zinc/77/04/04/463770404.db2.gz SOCYULVAPSBEIT-AWEZNQCLSA-N 1 2 347.444 2.467 40 0 EEABLO CS(=O)(=O)c1ccc(C[NH+]2CCC(c3cnccn3)CC2)cc1 ZINC000257337455 463784394 /nfs/dbraw/zinc/78/43/94/463784394.db2.gz YSUZOOXZNKOXBN-UHFFFAOYSA-N 1 2 331.441 2.260 40 0 EEABLO CN(C(=O)c1ccc2n[nH]nc2c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257343208 463787151 /nfs/dbraw/zinc/78/71/51/463787151.db2.gz ZRXFIJKEPPAUGR-CQSZACIVSA-N 1 2 336.399 2.094 40 0 EEABLO CNc1cncc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000257343048 463788230 /nfs/dbraw/zinc/78/82/30/463788230.db2.gz 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ZINC000585110870 468973891 /nfs/dbraw/zinc/97/38/91/468973891.db2.gz RSTZXGNTBPDDDM-MRXNPFEDSA-N 1 2 342.443 2.371 40 0 EEABLO Cc1ncccc1C[N@@H+]1CCO[C@@](CO)(Cc2cccc(F)c2)C1 ZINC000585276863 469001847 /nfs/dbraw/zinc/00/18/47/469001847.db2.gz SBYVPVKJZDDEMB-IBGZPJMESA-N 1 2 330.403 2.335 40 0 EEABLO Cc1ncccc1C[N@H+]1CCO[C@@](CO)(Cc2cccc(F)c2)C1 ZINC000585276863 469001851 /nfs/dbraw/zinc/00/18/51/469001851.db2.gz SBYVPVKJZDDEMB-IBGZPJMESA-N 1 2 330.403 2.335 40 0 EEABLO Cc1nc(NC(=S)NCC[NH+]2CCOCC2)c(Cl)cc1Cl ZINC000223891283 485533726 /nfs/dbraw/zinc/53/37/26/485533726.db2.gz XCWVTKHQVUTHSX-UHFFFAOYSA-N 1 2 349.287 2.315 40 0 EEABLO Cc1cc(N2CCN(C(=O)c3ccc(F)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000184037780 533899430 /nfs/dbraw/zinc/89/94/30/533899430.db2.gz UYAFARGNVOBVSM-UHFFFAOYSA-N 1 2 343.406 2.405 40 0 EEABLO COc1ccc(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)cc1 ZINC000012222597 201834541 /nfs/dbraw/zinc/83/45/41/201834541.db2.gz QIRBCOUWINYXNW-UHFFFAOYSA-N 1 2 339.443 2.226 40 0 EEABLO COc1ccc(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)cc1 ZINC000012222597 201834544 /nfs/dbraw/zinc/83/45/44/201834544.db2.gz QIRBCOUWINYXNW-UHFFFAOYSA-N 1 2 339.443 2.226 40 0 EEABLO COc1ccc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)cc1 ZINC000012222597 201834550 /nfs/dbraw/zinc/83/45/50/201834550.db2.gz QIRBCOUWINYXNW-UHFFFAOYSA-N 1 2 339.443 2.226 40 0 EEABLO CNc1nc([C@@H]2CCCN(C(=O)C3CCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000019753788 202018905 /nfs/dbraw/zinc/01/89/05/202018905.db2.gz MEOMKIJOTHKRSL-CQSZACIVSA-N 1 2 343.475 2.012 40 0 EEABLO CNc1nc([C@@H]2CCCN(C(=O)C3CCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019753788 202018909 /nfs/dbraw/zinc/01/89/09/202018909.db2.gz MEOMKIJOTHKRSL-CQSZACIVSA-N 1 2 343.475 2.012 40 0 EEABLO COc1ccc([C@@H](O)C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000022113542 202079557 /nfs/dbraw/zinc/07/95/57/202079557.db2.gz GACSXPSYHLPYQG-INIZCTEOSA-N 1 2 336.432 2.281 40 0 EEABLO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCS(C)(=O)=O)CC1 ZINC000075863309 202379787 /nfs/dbraw/zinc/37/97/87/202379787.db2.gz 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ZINC000130979118 205269003 /nfs/dbraw/zinc/26/90/03/205269003.db2.gz MEDRPXRPFLWPCZ-HNNXBMFYSA-N 1 2 328.416 2.404 40 0 EEABLO C[C@@H](c1cccc(Cl)c1)N1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000096495466 296232649 /nfs/dbraw/zinc/23/26/49/296232649.db2.gz YBMCPHLJEGHQDP-XJKSGUPXSA-N 1 2 342.892 2.206 40 0 EEABLO CC(=O)c1ccc(CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)nc1C ZINC000095448356 218392252 /nfs/dbraw/zinc/39/22/52/218392252.db2.gz GGEQBDUCPSYLQZ-UHFFFAOYSA-N 1 2 335.367 2.103 40 0 EEABLO Cc1cccn2c(CN3CCN(Cc4cscn4)CC3)c[nH+]c12 ZINC000352656417 162230573 /nfs/dbraw/zinc/23/05/73/162230573.db2.gz AIXWFVMNIHWWSK-UHFFFAOYSA-N 1 2 327.457 2.417 40 0 EEABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1CC(=O)N1CCCC1 ZINC000257239855 295414891 /nfs/dbraw/zinc/41/48/91/295414891.db2.gz HRBYOVPKBPJXRK-MRXNPFEDSA-N 1 2 340.427 2.071 40 0 EEABLO Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097379461 323323018 /nfs/dbraw/zinc/32/30/18/323323018.db2.gz YLMYWZFWBUCQEY-GOSISDBHSA-N 1 2 336.395 2.425 40 0 EEABLO COc1cc(C[NH+]2CCN(C[C@H](O)c3ccco3)CC2)cc(OC)c1 ZINC000085436907 462548020 /nfs/dbraw/zinc/54/80/20/462548020.db2.gz YQYXCYICTCQITB-SFHVURJKSA-N 1 2 346.427 2.148 40 0 EEABLO Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000004190456 462629613 /nfs/dbraw/zinc/62/96/13/462629613.db2.gz TWSYWSNEZGWCDO-DLBZAZTESA-N 1 2 327.432 2.346 40 0 EEABLO Cc1nc(N2CCN(Cc3ccc(Br)cn3)CC2)cc[nH+]1 ZINC000078293454 463100817 /nfs/dbraw/zinc/10/08/17/463100817.db2.gz MBMUQVJXDSMPMB-UHFFFAOYSA-N 1 2 348.248 2.265 40 0 EEABLO Cc1cc(C[N@@H+]2CC[C@H]3C(=O)N(c4ccccc4)CCO[C@H]3C2)no1 ZINC000096107123 463175471 /nfs/dbraw/zinc/17/54/71/463175471.db2.gz JVYDMLJFSBRXSX-MSOLQXFVSA-N 1 2 341.411 2.237 40 0 EEABLO Cc1cc(C[N@H+]2CC[C@H]3C(=O)N(c4ccccc4)CCO[C@H]3C2)no1 ZINC000096107123 463175475 /nfs/dbraw/zinc/17/54/75/463175475.db2.gz JVYDMLJFSBRXSX-MSOLQXFVSA-N 1 2 341.411 2.237 40 0 EEABLO CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)NCc2ccccc2)C1 ZINC000096187819 463199362 /nfs/dbraw/zinc/19/93/62/463199362.db2.gz 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ZINC000096449186 463271937 /nfs/dbraw/zinc/27/19/37/463271937.db2.gz HOZANZDUMPPRPP-UHFFFAOYSA-N 1 2 333.395 2.213 40 0 EEABLO Cn1c(C[N@@H+](C)Cc2cc(=O)n3ccccc3n2)nc2ccccc21 ZINC000096449186 463271938 /nfs/dbraw/zinc/27/19/38/463271938.db2.gz HOZANZDUMPPRPP-UHFFFAOYSA-N 1 2 333.395 2.213 40 0 EEABLO Nc1nc(N2CCC(OC[C@@H]3CCCO3)CC2)[nH+]c2ccccc12 ZINC000096486673 463285143 /nfs/dbraw/zinc/28/51/43/463285143.db2.gz XUOPHZDROMTRTJ-AWEZNQCLSA-N 1 2 328.416 2.376 40 0 EEABLO CC[C@H]([NH2+]Cc1noc2c1CCCC2)c1cccc(S(N)(=O)=O)c1 ZINC000096492683 463287603 /nfs/dbraw/zinc/28/76/03/463287603.db2.gz FSZUDPRYHAOHJJ-HNNXBMFYSA-N 1 2 349.456 2.442 40 0 EEABLO Cc1csc(C(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)c1 ZINC000257284525 463761687 /nfs/dbraw/zinc/76/16/87/463761687.db2.gz PDASATMLICTRQD-KRWDZBQOSA-N 1 2 331.441 2.213 40 0 EEABLO CNc1cc([C@H]2CCCN(C(=O)CCc3ccnn3C)C2)cc[nH+]1 ZINC000257335038 463783132 /nfs/dbraw/zinc/78/31/32/463783132.db2.gz YILAXCPSGYWIRA-HNNXBMFYSA-N 1 2 327.432 2.196 40 0 EEABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc(-n2cccn2)nc1 ZINC000257338555 463784834 /nfs/dbraw/zinc/78/48/34/463784834.db2.gz YXXXZXKSRHITBY-MRXNPFEDSA-N 1 2 348.410 2.061 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000257340672 463785698 /nfs/dbraw/zinc/78/56/98/463785698.db2.gz ZHDLWZJRBLCPEV-CYBMUJFWSA-N 1 2 337.420 2.332 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000257340672 463785704 /nfs/dbraw/zinc/78/57/04/463785704.db2.gz ZHDLWZJRBLCPEV-CYBMUJFWSA-N 1 2 337.420 2.332 40 0 EEABLO C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000253413435 465003285 /nfs/dbraw/zinc/00/32/85/465003285.db2.gz ZNPPFZKGHCSLDS-MEDUHNTESA-N 1 2 344.377 2.341 40 0 EEABLO CCOCCc1c[nH+]c2n1CCN(Cc1cccnc1OC)[C@H]2C ZINC000585096861 468964738 /nfs/dbraw/zinc/96/47/38/468964738.db2.gz BRNVQXCKMPDGRR-AWEZNQCLSA-N 1 2 330.432 2.443 40 0 EEABLO CO[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1Cc1ccccc1F ZINC000585277233 469002381 /nfs/dbraw/zinc/00/23/81/469002381.db2.gz NPWVBGGGMWTNBS-IRXDYDNUSA-N 1 2 331.391 2.271 40 0 EEABLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CC(F)(F)F)c2)CC1 ZINC000187156699 526629780 /nfs/dbraw/zinc/62/97/80/526629780.db2.gz IZDPUPCPPKQZFA-UHFFFAOYSA-N 1 2 343.349 2.242 40 0 EEABLO Cn1ccc(C[NH+]2CCC3(CC(=O)N(Cc4ccccc4)O3)CC2)n1 ZINC001549166579 1121135317 /nfs/dbraw/zinc/13/53/17/1121135317.db2.gz GGQDWEPZGTWSPV-UHFFFAOYSA-N 1 2 340.427 2.119 40 0 EEABLO CN(C)c1ccc(C[C@H](CO)n2c[nH+]cc2-c2cnn(C)c2)cc1 ZINC000019719483 202017267 /nfs/dbraw/zinc/01/72/67/202017267.db2.gz JAQMLEIKOJAFKD-QGZVFWFLSA-N 1 2 325.416 2.126 40 0 EEABLO O=S(=O)(Cc1cccc(F)c1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000075154701 202376145 /nfs/dbraw/zinc/37/61/45/202376145.db2.gz VYWOSXKAXLNYNX-UHFFFAOYSA-N 1 2 337.420 2.264 40 0 EEABLO CC[C@H](NC(=O)NCC[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000077528426 202392661 /nfs/dbraw/zinc/39/26/61/202392661.db2.gz XJJPUGLAMPFBQR-HNNXBMFYSA-N 1 2 327.375 2.047 40 0 EEABLO 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/nfs/dbraw/zinc/20/72/61/203207261.db2.gz BXCMFYPWLMLODG-GFCCVEGCSA-N 1 2 331.445 2.255 40 0 EEABLO CCOC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2[nH+]cn(C)c21 ZINC000096044824 203804788 /nfs/dbraw/zinc/80/47/88/203804788.db2.gz VQLGHIRKZUOHII-AWEZNQCLSA-N 1 2 349.456 2.053 40 0 EEABLO CCn1cc(NC(=O)C2CCN(c3nc(C)[nH+]c(C)c3C)CC2)cn1 ZINC000095416547 218355697 /nfs/dbraw/zinc/35/56/97/218355697.db2.gz IRZYGDRRJHTAIT-UHFFFAOYSA-N 1 2 342.447 2.473 40 0 EEABLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000055562699 132195935 /nfs/dbraw/zinc/19/59/35/132195935.db2.gz WSZGQWODUQPPNN-DAYGRLMNSA-N 1 2 331.435 2.253 40 0 EEABLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000078923110 297167431 /nfs/dbraw/zinc/16/74/31/297167431.db2.gz BLBQPMBRBUGGPC-YCPHGPKFSA-N 1 2 345.443 2.167 40 0 EEABLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000078923110 297167433 /nfs/dbraw/zinc/16/74/33/297167433.db2.gz BLBQPMBRBUGGPC-YCPHGPKFSA-N 1 2 345.443 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C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000084921874 463637075 /nfs/dbraw/zinc/63/70/75/463637075.db2.gz GOYYBNLIBSNZBV-CYBMUJFWSA-N 1 2 339.424 2.459 40 0 EEABLO c1c[nH]c(C[N@@H+]2CCC[C@H](c3cncc(Nc4cnccn4)n3)C2)n1 ZINC000257303281 463770169 /nfs/dbraw/zinc/77/01/69/463770169.db2.gz SGNSKOYJWPTHDA-ZDUSSCGKSA-N 1 2 336.403 2.113 40 0 EEABLO c1c[nH]c(C[N@H+]2CCC[C@H](c3cncc(Nc4cnccn4)n3)C2)n1 ZINC000257303281 463770176 /nfs/dbraw/zinc/77/01/76/463770176.db2.gz SGNSKOYJWPTHDA-ZDUSSCGKSA-N 1 2 336.403 2.113 40 0 EEABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)cc[nH+]1 ZINC000257339448 463786614 /nfs/dbraw/zinc/78/66/14/463786614.db2.gz ZBULUVXCKPFOGB-HNNXBMFYSA-N 1 2 336.399 2.232 40 0 EEABLO C[C@H]1C[N@H+](CCSc2nnc(-c3ccc(F)cc3)n2C)CCO1 ZINC000188231681 464230714 /nfs/dbraw/zinc/23/07/14/464230714.db2.gz UYNSOJGTBFUURG-LBPRGKRZSA-N 1 2 336.436 2.434 40 0 EEABLO C[C@H]1C[N@@H+](CCSc2nnc(-c3ccc(F)cc3)n2C)CCO1 ZINC000188231681 464230720 /nfs/dbraw/zinc/23/07/20/464230720.db2.gz 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Cc1cc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)no1 ZINC000107207883 204228247 /nfs/dbraw/zinc/22/82/47/204228247.db2.gz UFMHMVCGDXOJDA-BRWVUGGUSA-N 1 2 345.399 2.014 40 0 EEABLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N[C@@H](CCO)C1CC1 ZINC000095401079 218335626 /nfs/dbraw/zinc/33/56/26/218335626.db2.gz HZZFAYKJQQXXTD-KRWDZBQOSA-N 1 2 346.475 2.422 40 0 EEABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cn1)c1cc(Cl)ccn1 ZINC000095443712 218387762 /nfs/dbraw/zinc/38/77/62/218387762.db2.gz ATMMYLOBQAADCB-UHFFFAOYSA-N 1 2 332.791 2.215 40 0 EEABLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCOCC(F)(F)F)c1 ZINC000096436002 218814622 /nfs/dbraw/zinc/81/46/22/218814622.db2.gz VKVZFZWFOAIBGT-UHFFFAOYSA-N 1 2 327.306 2.489 40 0 EEABLO Cc1n[nH]cc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000181776684 533683970 /nfs/dbraw/zinc/68/39/70/533683970.db2.gz QIJAUCNRXDKGAY-UHFFFAOYSA-N 1 2 335.411 2.356 40 0 EEABLO Cc1nc(N2CCN(C(=O)N[C@H]3C[C@H]3c3ccccc3)CC2)cc[nH+]1 ZINC000097376477 279164638 /nfs/dbraw/zinc/16/46/38/279164638.db2.gz 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Cn1c2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2nc1C(C)(C)C ZINC000089989827 462761849 /nfs/dbraw/zinc/76/18/49/462761849.db2.gz RKNXJOKSQAMWTQ-OAHLLOKOSA-N 1 2 330.432 2.140 40 0 EEABLO Cn1c2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2nc1C(C)(C)C ZINC000089989827 462761852 /nfs/dbraw/zinc/76/18/52/462761852.db2.gz RKNXJOKSQAMWTQ-OAHLLOKOSA-N 1 2 330.432 2.140 40 0 EEABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)cc1OC ZINC000095534212 463106305 /nfs/dbraw/zinc/10/63/05/463106305.db2.gz LTHVYRNCGKQBRM-HNNXBMFYSA-N 1 2 325.372 2.322 40 0 EEABLO CCOc1ccc([C@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)cc1OC ZINC000095534212 463106311 /nfs/dbraw/zinc/10/63/11/463106311.db2.gz LTHVYRNCGKQBRM-HNNXBMFYSA-N 1 2 325.372 2.322 40 0 EEABLO CC(C)n1c(C(=O)NCCc2ccccc2)nc2c1CC[N@@H+](C)C2 ZINC000096147145 463186045 /nfs/dbraw/zinc/18/60/45/463186045.db2.gz XNSIMACSPWZIMT-UHFFFAOYSA-N 1 2 326.444 2.424 40 0 EEABLO CC(C)n1c(C(=O)NCCc2ccccc2)nc2c1CC[N@H+](C)C2 ZINC000096147145 463186053 /nfs/dbraw/zinc/18/60/53/463186053.db2.gz XNSIMACSPWZIMT-UHFFFAOYSA-N 1 2 326.444 2.424 40 0 EEABLO O=C(NCCCn1cc[nH+]c1)C(=O)c1ccc(Br)cc1 ZINC000079349695 463208657 /nfs/dbraw/zinc/20/86/57/463208657.db2.gz CXKSSFDMASXGKR-UHFFFAOYSA-N 1 2 336.189 2.035 40 0 EEABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)CC4CC4)CC[C@@H]3C2)cs1 ZINC000096249702 463227277 /nfs/dbraw/zinc/22/72/77/463227277.db2.gz LZGAMJUREZMQFK-NVXWUHKLSA-N 1 2 349.500 2.301 40 0 EEABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)CC4CC4)CC[C@@H]3C2)cs1 ZINC000096249702 463227282 /nfs/dbraw/zinc/22/72/82/463227282.db2.gz LZGAMJUREZMQFK-NVXWUHKLSA-N 1 2 349.500 2.301 40 0 EEABLO C[C@@H]1CN(c2ccc(NC(=O)NCCCn3cc[nH+]c3)cc2)CCO1 ZINC000096418697 463250781 /nfs/dbraw/zinc/25/07/81/463250781.db2.gz UQVOUARWXHPEDN-OAHLLOKOSA-N 1 2 343.431 2.320 40 0 EEABLO COc1ccc([C@@H](C)[NH2+]Cc2ncnn2C)c(Br)c1 ZINC000097230993 463350863 /nfs/dbraw/zinc/35/08/63/463350863.db2.gz LVRPLBULTDONEN-SECBINFHSA-N 1 2 325.210 2.437 40 0 EEABLO Cc1cnc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000257329095 463780055 /nfs/dbraw/zinc/78/00/55/463780055.db2.gz XIJHTEFHPLGXEG-SFHVURJKSA-N 1 2 327.384 2.130 40 0 EEABLO Cc1cnc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000257329095 463780067 /nfs/dbraw/zinc/78/00/67/463780067.db2.gz XIJHTEFHPLGXEG-SFHVURJKSA-N 1 2 327.384 2.130 40 0 EEABLO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cn[nH]c2C)c(C)s1 ZINC000195553827 464075723 /nfs/dbraw/zinc/07/57/23/464075723.db2.gz WDHWNFSYITYKNM-JTQLQIEISA-N 1 2 342.490 2.026 40 0 EEABLO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000225401063 464157716 /nfs/dbraw/zinc/15/77/16/464157716.db2.gz GVGKSTHOYNYQAX-FUHWJXTLSA-N 1 2 330.428 2.067 40 0 EEABLO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000225401063 464157717 /nfs/dbraw/zinc/15/77/17/464157717.db2.gz GVGKSTHOYNYQAX-FUHWJXTLSA-N 1 2 330.428 2.067 40 0 EEABLO Cc1nc(N2CCN(C(=O)c3cc(Cl)cc(F)c3N)CC2)cc[nH+]1 ZINC000225563625 464172248 /nfs/dbraw/zinc/17/22/48/464172248.db2.gz UHPIGAJNRVBUEY-UHFFFAOYSA-N 1 2 349.797 2.122 40 0 EEABLO Cc1ccc(Cl)cc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000252480158 464961107 /nfs/dbraw/zinc/96/11/07/464961107.db2.gz BXBOAQQOONYCOG-HZPDHXFCSA-N 1 2 337.851 2.263 40 0 EEABLO Cc1ccc(Cl)cc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000252480158 464961111 /nfs/dbraw/zinc/96/11/11/464961111.db2.gz BXBOAQQOONYCOG-HZPDHXFCSA-N 1 2 337.851 2.263 40 0 EEABLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccco1 ZINC000047031487 213828828 /nfs/dbraw/zinc/82/88/28/213828828.db2.gz VNJWMMNOOJWHRU-INIZCTEOSA-N 1 2 334.441 2.350 40 0 EEABLO COc1ccc(SCC(=O)NCCCn2cc[nH+]c2)cc1OC ZINC000038753089 213223477 /nfs/dbraw/zinc/22/34/77/213223477.db2.gz WKCCRGIYBZLWTP-UHFFFAOYSA-N 1 2 335.429 2.199 40 0 EEABLO O=C(Cc1cccnc1)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350632 216162553 /nfs/dbraw/zinc/16/25/53/216162553.db2.gz HLONNZVESCUKST-INIZCTEOSA-N 1 2 348.410 2.006 40 0 EEABLO Cc1noc(C)c1[C@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000073038309 216343205 /nfs/dbraw/zinc/34/32/05/216343205.db2.gz DQXXSCMSVYGFRE-NSHDSACASA-N 1 2 331.420 2.427 40 0 EEABLO C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CC[NH+](C)CC1 ZINC000227152534 242123135 /nfs/dbraw/zinc/12/31/35/242123135.db2.gz RQDHHXYJSRCTIV-CYBMUJFWSA-N 1 2 348.834 2.067 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)c2cnc(C)nc2C)CC[N@@H+]1C ZINC000257204902 244130301 /nfs/dbraw/zinc/13/03/01/244130301.db2.gz AWUMPJQGKAZUOL-QGZVFWFLSA-N 1 2 340.427 2.231 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)c2cnc(C)nc2C)CC[N@H+]1C ZINC000257204902 244130304 /nfs/dbraw/zinc/13/03/04/244130304.db2.gz AWUMPJQGKAZUOL-QGZVFWFLSA-N 1 2 340.427 2.231 40 0 EEABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)[nH+]1 ZINC000257266167 244361663 /nfs/dbraw/zinc/36/16/63/244361663.db2.gz MBVOQSKBQODMLZ-SNVBAGLBSA-N 1 2 327.356 2.175 40 0 EEABLO Cc1[nH+]cc(-c2nccnc2C[C@H]2CCCN(c3ccncn3)C2)n1C ZINC000257266302 244362052 /nfs/dbraw/zinc/36/20/52/244362052.db2.gz MCIZUECQSZBFKE-OAHLLOKOSA-N 1 2 349.442 2.435 40 0 EEABLO COc1ccc(OC)c([C@H](O)C[NH+]2CCN(c3nccs3)CC2)c1 ZINC000019551184 212041547 /nfs/dbraw/zinc/04/15/47/212041547.db2.gz PKCSVRAAGLHPFN-OAHLLOKOSA-N 1 2 349.456 2.016 40 0 EEABLO CCC[N@H+](CCCS(C)(=O)=O)CC(=O)Nc1ccc(Cl)cc1 ZINC000079027991 217176950 /nfs/dbraw/zinc/17/69/50/217176950.db2.gz TVLYUSACDGQYCK-UHFFFAOYSA-N 1 2 346.880 2.425 40 0 EEABLO CCC[N@@H+](CCCS(C)(=O)=O)CC(=O)Nc1ccc(Cl)cc1 ZINC000079027991 217176951 /nfs/dbraw/zinc/17/69/51/217176951.db2.gz TVLYUSACDGQYCK-UHFFFAOYSA-N 1 2 346.880 2.425 40 0 EEABLO Cc1cc(C)n(CC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000079363174 217215781 /nfs/dbraw/zinc/21/57/81/217215781.db2.gz FREUMBUXQAHGGP-OAHLLOKOSA-N 1 2 336.386 2.197 40 0 EEABLO O=C(O)c1cn(C2CC2)c2cc(Cl)c(N3CC[NH2+]CC3)cc2c1=O ZINC000034529224 304274403 /nfs/dbraw/zinc/27/44/03/304274403.db2.gz CMKOKYODRILRKU-UHFFFAOYSA-N 1 2 347.802 2.098 40 0 in-vitro EEABLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)n1cccn1 ZINC000270687753 256160583 /nfs/dbraw/zinc/16/05/83/256160583.db2.gz JDFPUWGFIUGYGR-LYRGGWFBSA-N 1 2 334.370 2.284 40 0 EEABLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)n1cccn1 ZINC000270687753 256160585 /nfs/dbraw/zinc/16/05/85/256160585.db2.gz JDFPUWGFIUGYGR-LYRGGWFBSA-N 1 2 334.370 2.284 40 0 EEABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000077497506 286848889 /nfs/dbraw/zinc/84/88/89/286848889.db2.gz WKNIXKOLYSFDPO-LBPRGKRZSA-N 1 2 340.855 2.248 40 0 EEABLO CN(C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CCC1 ZINC000074174896 288863036 /nfs/dbraw/zinc/86/30/36/288863036.db2.gz FGDVVHGJSRGLSF-QGZVFWFLSA-N 1 2 331.460 2.124 40 0 EEABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3[nH]cc[nH+]3)n2)cc1F ZINC000015674344 462959992 /nfs/dbraw/zinc/95/99/92/462959992.db2.gz WAHWJVZZIYZKPJ-OCCSQVGLSA-N 1 2 343.362 2.215 40 0 biogenic,in-vitro EEABLO c1csc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048345 463151843 /nfs/dbraw/zinc/15/18/43/463151843.db2.gz IIUIXBJWAOMLND-BBRMVZONSA-N 1 2 331.445 2.169 40 0 EEABLO c1csc(C[N@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048345 463151852 /nfs/dbraw/zinc/15/18/52/463151852.db2.gz IIUIXBJWAOMLND-BBRMVZONSA-N 1 2 331.445 2.169 40 0 EEABLO O=C1CCCN1C[C@H]1Cn2cc[nH+]c2CN(Cc2cccc(F)c2)C1 ZINC000096188458 463200635 /nfs/dbraw/zinc/20/06/35/463200635.db2.gz XHSDGRTZBKFSDO-MRXNPFEDSA-N 1 2 342.418 2.277 40 0 EEABLO O=C([C@H]1CCCO1)N1CCN(Cc2cccnc2)c2[nH+]cccc2C1 ZINC000096198954 463204380 /nfs/dbraw/zinc/20/43/80/463204380.db2.gz JMYLLWFYWPSCLP-QGZVFWFLSA-N 1 2 338.411 2.004 40 0 EEABLO Cc1ncccc1NC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096226106 463221495 /nfs/dbraw/zinc/22/14/95/463221495.db2.gz HYRQBHFXKOWIKP-GOSISDBHSA-N 1 2 340.383 2.343 40 0 EEABLO Cc1ncccc1NC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096226106 463221499 /nfs/dbraw/zinc/22/14/99/463221499.db2.gz HYRQBHFXKOWIKP-GOSISDBHSA-N 1 2 340.383 2.343 40 0 EEABLO Cc1noc(C)c1CN1C[C@@]2(CCN(c3cccc[nH+]3)C2)CC1=O ZINC000096239395 463224310 /nfs/dbraw/zinc/22/43/10/463224310.db2.gz GCSFAKDQZDPZBI-SFHVURJKSA-N 1 2 326.400 2.315 40 0 EEABLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)n(C)n1 ZINC000096406610 463240681 /nfs/dbraw/zinc/24/06/81/463240681.db2.gz XJRWYODHGGSCAK-UHFFFAOYSA-N 1 2 346.406 2.350 40 0 EEABLO NC(=O)C1CCN(c2[nH+]cccc2CNc2ccc(Cl)cn2)CC1 ZINC000096429837 463259458 /nfs/dbraw/zinc/25/94/58/463259458.db2.gz CHPAARZSDWSZQF-UHFFFAOYSA-N 1 2 345.834 2.444 40 0 EEABLO O=C(NCC[NH+]1CCOCC1)N(Cc1ccoc1)C1CCCCC1 ZINC000096431276 463259953 /nfs/dbraw/zinc/25/99/53/463259953.db2.gz JSIMHRJBGNQTBA-UHFFFAOYSA-N 1 2 335.448 2.456 40 0 EEABLO Cc1nn(-c2ccccc2)c(C)c1CNc1[nH+]cnc2c1NC(=O)CN2 ZINC000041121407 463467850 /nfs/dbraw/zinc/46/78/50/463467850.db2.gz HADGZMJSPPUNCR-UHFFFAOYSA-N 1 2 349.398 2.255 40 0 EEABLO Cc1nn(-c2ccccc2)c(C)c1CNc1nc[nH+]c2c1NC(=O)CN2 ZINC000041121407 463467855 /nfs/dbraw/zinc/46/78/55/463467855.db2.gz HADGZMJSPPUNCR-UHFFFAOYSA-N 1 2 349.398 2.255 40 0 EEABLO Cc1nc(C(=O)N2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)cs1 ZINC000108531740 463609749 /nfs/dbraw/zinc/60/97/49/463609749.db2.gz RGWQFKKGQHYHLG-DYVFJYSZSA-N 1 2 344.440 2.047 40 0 EEABLO COc1ccccc1[C@@H]1C[N@H+](Cc2cnn(C)c2C)CCN1C(C)=O ZINC000257305270 463770394 /nfs/dbraw/zinc/77/03/94/463770394.db2.gz SPFCARSMJOFLSJ-SFHVURJKSA-N 1 2 342.443 2.143 40 0 EEABLO COc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(C)c2C)CCN1C(C)=O ZINC000257305270 463770397 /nfs/dbraw/zinc/77/03/97/463770397.db2.gz SPFCARSMJOFLSJ-SFHVURJKSA-N 1 2 342.443 2.143 40 0 EEABLO O=C(O[C@H]([C@H]1CCOC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)nc1 ZINC000195576439 464080103 /nfs/dbraw/zinc/08/01/03/464080103.db2.gz KGCJOTOBVZXVFZ-WCQYABFASA-N 1 2 341.289 2.392 40 0 EEABLO CCCCNc1cc(N2CCC[C@@H](c3nc(C)no3)C2)nc(N)[nH+]1 ZINC000225538834 464170935 /nfs/dbraw/zinc/17/09/35/464170935.db2.gz AAUPRBJIGQUELG-GFCCVEGCSA-N 1 2 331.424 2.346 40 0 EEABLO CCCCNc1cc(N2CCC[C@@H](c3nc(C)no3)C2)[nH+]c(N)n1 ZINC000225538834 464170940 /nfs/dbraw/zinc/17/09/40/464170940.db2.gz AAUPRBJIGQUELG-GFCCVEGCSA-N 1 2 331.424 2.346 40 0 EEABLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nccc(N)n3)ccc2NC1=O ZINC000180021684 464226282 /nfs/dbraw/zinc/22/62/82/464226282.db2.gz QPFLIRWWGASYRR-GWCFXTLKSA-N 1 2 327.388 2.019 40 0 EEABLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000189063867 464426537 /nfs/dbraw/zinc/42/65/37/464426537.db2.gz KUJZOLGCCWVGBO-ZIAGYGMSSA-N 1 2 334.468 2.217 40 0 EEABLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000189063867 464426544 /nfs/dbraw/zinc/42/65/44/464426544.db2.gz KUJZOLGCCWVGBO-ZIAGYGMSSA-N 1 2 334.468 2.217 40 0 EEABLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000241121845 464449285 /nfs/dbraw/zinc/44/92/85/464449285.db2.gz JEGDJMILPXYHSV-UHFFFAOYSA-N 1 2 334.416 2.292 40 0 EEABLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000241121845 464449288 /nfs/dbraw/zinc/44/92/88/464449288.db2.gz JEGDJMILPXYHSV-UHFFFAOYSA-N 1 2 334.416 2.292 40 0 EEABLO CC(C)C[C@]1(CO)CCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000189930538 464565741 /nfs/dbraw/zinc/56/57/41/464565741.db2.gz VPSFPMDSZATHKE-IBGZPJMESA-N 1 2 344.459 2.459 40 0 EEABLO CN(C)c1cc(N2CC3(C2)C[C@H](Oc2cccnc2)CS3)nc[nH+]1 ZINC000248113605 464731108 /nfs/dbraw/zinc/73/11/08/464731108.db2.gz LABXEINKDDPWTN-AWEZNQCLSA-N 1 2 343.456 2.081 40 0 EEABLO CN(C)c1cc(N2CC3(C2)C[C@H](Oc2cccnc2)CS3)[nH+]cn1 ZINC000248113605 464731114 /nfs/dbraw/zinc/73/11/14/464731114.db2.gz LABXEINKDDPWTN-AWEZNQCLSA-N 1 2 343.456 2.081 40 0 EEABLO CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000249442896 464875849 /nfs/dbraw/zinc/87/58/49/464875849.db2.gz FPQPNORIBKFNDE-DFBGVHRSSA-N 1 2 346.880 2.040 40 0 EEABLO CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000249442896 464875850 /nfs/dbraw/zinc/87/58/50/464875850.db2.gz FPQPNORIBKFNDE-DFBGVHRSSA-N 1 2 346.880 2.040 40 0 EEABLO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cccc[nH+]3)CC2)[nH]n1 ZINC000306131219 466492211 /nfs/dbraw/zinc/49/22/11/466492211.db2.gz JYULBKPQFRTIBD-GDBMZVCRSA-N 1 2 325.416 2.244 40 0 EEABLO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cccc[nH+]3)CC2)n[nH]1 ZINC000306131219 466492216 /nfs/dbraw/zinc/49/22/16/466492216.db2.gz JYULBKPQFRTIBD-GDBMZVCRSA-N 1 2 325.416 2.244 40 0 EEABLO [NH3+]CC[C@H]([NH2+]COCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000390822505 467411839 /nfs/dbraw/zinc/41/18/39/467411839.db2.gz BEQYDICFRLDZLK-SFHVURJKSA-N 1 2 326.396 2.165 40 0 EEABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cn(C)c2ccccc12 ZINC000585094568 468963746 /nfs/dbraw/zinc/96/37/46/468963746.db2.gz BTDRSPSHWALMPB-ZDUSSCGKSA-N 1 2 338.411 2.125 40 0 EEABLO CO[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1Cc1ccccc1F ZINC000585277799 469003287 /nfs/dbraw/zinc/00/32/87/469003287.db2.gz PGFMPXJCZWBGCD-NVXWUHKLSA-N 1 2 331.391 2.128 40 0 EEABLO Cc1cccc(C[C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)C[C@H]2O)c1 ZINC000585288676 469010246 /nfs/dbraw/zinc/01/02/46/469010246.db2.gz HGYQXESICINHRD-WXFDERKXSA-N 1 2 325.412 2.183 40 0 EEABLO C[C@H]1CN=C(N2CC[NH+](CCOCC(F)(F)C(F)F)CC2)S1 ZINC000189702838 534003456 /nfs/dbraw/zinc/00/34/56/534003456.db2.gz PGWWVPPDGIHNIH-JTQLQIEISA-N 1 2 343.390 2.012 40 0 EEABLO O=C(COc1ccc(F)cc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130973739 534622513 /nfs/dbraw/zinc/62/25/13/534622513.db2.gz DORISOZOHBPURF-OAHLLOKOSA-N 1 2 329.375 2.385 40 0 EEABLO C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F)n1cc[nH+]c1 ZINC000068353408 215302015 /nfs/dbraw/zinc/30/20/15/215302015.db2.gz TVZDRUCNDXLFGG-SMDDNHRTSA-N 1 2 348.403 2.123 40 0 EEABLO Cc1cccc(C2([NH2+]Cc3nc(CS(C)(=O)=O)no3)CCCC2)c1 ZINC000072607128 216280450 /nfs/dbraw/zinc/28/04/50/216280450.db2.gz GSMVPMCIRWVQBG-UHFFFAOYSA-N 1 2 349.456 2.482 40 0 EEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccnc(N4CCCC4)c3)C2)[nH+]1 ZINC000257219647 244178664 /nfs/dbraw/zinc/17/86/64/244178664.db2.gz DHOLMPSBUNIHNA-OAHLLOKOSA-N 1 2 325.416 2.343 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)[nH+]1 ZINC000257313176 244497773 /nfs/dbraw/zinc/49/77/73/244497773.db2.gz URHJFEYGDFSXDL-ZDUSSCGKSA-N 1 2 327.384 2.129 40 0 EEABLO Cc1[nH+]c(C2CCN(C(=O)c3ccnn3C)CC2)c2sccn12 ZINC000019240820 212009304 /nfs/dbraw/zinc/00/93/04/212009304.db2.gz DDGQLVRBCYEIFB-UHFFFAOYSA-N 1 2 329.429 2.458 40 0 EEABLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(C(=O)CCC2CC2)CC1 ZINC000095397489 218329482 /nfs/dbraw/zinc/32/94/82/218329482.db2.gz YXFKZZBVFCUCPM-INIZCTEOSA-N 1 2 335.492 2.112 40 0 EEABLO Cc1nc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)c(C)c(C)[nH+]1 ZINC000095416554 218356027 /nfs/dbraw/zinc/35/60/27/218356027.db2.gz CYQUNRGTTDJBGZ-LBPRGKRZSA-N 1 2 330.354 2.297 40 0 EEABLO COCCn1nnnc1[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000004847672 210299714 /nfs/dbraw/zinc/29/97/14/210299714.db2.gz JBJBFSZUXKUIDF-MRXNPFEDSA-N 1 2 333.411 2.280 40 0 EEABLO O=C(Nc1cccs1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609185 462802749 /nfs/dbraw/zinc/80/27/49/462802749.db2.gz OWNBAEIYLMVSFS-CYBMUJFWSA-N 1 2 341.502 2.420 40 0 EEABLO CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000096066756 463164926 /nfs/dbraw/zinc/16/49/26/463164926.db2.gz WRDKEEZJPADQTL-OAHLLOKOSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000096066756 463164930 /nfs/dbraw/zinc/16/49/30/463164930.db2.gz WRDKEEZJPADQTL-OAHLLOKOSA-N 1 2 329.400 2.285 40 0 EEABLO O=C(c1ccc[nH]1)N1CCC[C@@]2(C1)COCCN(c1cccc[nH+]1)C2 ZINC000096076779 463169295 /nfs/dbraw/zinc/16/92/95/463169295.db2.gz NIPQWWUBZUYQLC-LJQANCHMSA-N 1 2 340.427 2.169 40 0 EEABLO Fc1ccc2[nH]c(CO[C@H]3CN(Cc4[nH]cc[nH+]4)C[C@H]3F)nc2c1 ZINC000096112232 463179752 /nfs/dbraw/zinc/17/97/52/463179752.db2.gz QOPDIACWLAQIIQ-RISCZKNCSA-N 1 2 333.342 2.164 40 0 biogenic,in-vitro EEABLO Cn1cc[nH+]c1CN1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC000096159926 463190418 /nfs/dbraw/zinc/19/04/18/463190418.db2.gz MNNSSFGPLJWCTP-QFBILLFUSA-N 1 2 342.443 2.265 40 0 EEABLO Cn1cccc1C(=O)N1CCC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096222955 463219470 /nfs/dbraw/zinc/21/94/70/463219470.db2.gz XKVRTNGKASVECV-KXBFYZLASA-N 1 2 340.427 2.296 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cn1 ZINC000096226221 463220966 /nfs/dbraw/zinc/22/09/66/463220966.db2.gz ILOQOXJMWVYZNS-LJQANCHMSA-N 1 2 326.444 2.292 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cn1 ZINC000096226221 463220970 /nfs/dbraw/zinc/22/09/70/463220970.db2.gz ILOQOXJMWVYZNS-LJQANCHMSA-N 1 2 326.444 2.292 40 0 EEABLO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000096417565 463249184 /nfs/dbraw/zinc/24/91/84/463249184.db2.gz MXGZOCODQINMMG-HZPDHXFCSA-N 1 2 343.814 2.262 40 0 EEABLO CC(C)c1ccc(N2CC[C@H](C(=O)NCc3[nH+]ccn3C)C2=O)cc1 ZINC000096423679 463253784 /nfs/dbraw/zinc/25/37/84/463253784.db2.gz VELVHIAOULQWEC-MRXNPFEDSA-N 1 2 340.427 2.213 40 0 EEABLO Cc1[nH+]c2ccccn2c1Cn1cc(I)cn1 ZINC000096424937 463254626 /nfs/dbraw/zinc/25/46/26/463254626.db2.gz FLTWNPCEUHLODB-UHFFFAOYSA-N 1 2 338.152 2.492 40 0 EEABLO COC(=O)c1ccc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)o1 ZINC000096424312 463254873 /nfs/dbraw/zinc/25/48/73/463254873.db2.gz SZCMAPJYLJMEGU-AWEZNQCLSA-N 1 2 329.400 2.340 40 0 EEABLO Cn1cc[nH+]c1CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000096467303 463278365 /nfs/dbraw/zinc/27/83/65/463278365.db2.gz WYVKMJMTSAORER-UHFFFAOYSA-N 1 2 334.426 2.272 40 0 EEABLO C[N@H+](C[C@@H]1CCCCO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000096486711 463285424 /nfs/dbraw/zinc/28/54/24/463285424.db2.gz WJWRUEHCUVIAMN-KBPBESRZSA-N 1 2 341.249 2.476 40 0 EEABLO C[N@@H+](C[C@@H]1CCCCO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000096486711 463285431 /nfs/dbraw/zinc/28/54/31/463285431.db2.gz WJWRUEHCUVIAMN-KBPBESRZSA-N 1 2 341.249 2.476 40 0 EEABLO Cc1nccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000096503126 463293023 /nfs/dbraw/zinc/29/30/23/463293023.db2.gz PKUKIJXNFULFBN-ZDUSSCGKSA-N 1 2 345.472 2.435 40 0 EEABLO Cc1cc(N(C)C2CC3(C2)CCN(C(=O)[C@H]2CCCCO2)C3)nc[nH+]1 ZINC000257285183 463762007 /nfs/dbraw/zinc/76/20/07/463762007.db2.gz PFZLMPGKPZIMJS-KOHRHEQBSA-N 1 2 344.459 2.171 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)[nH+]1 ZINC000257335926 463782628 /nfs/dbraw/zinc/78/26/28/463782628.db2.gz YMLRHBJOHFRHAC-AWEZNQCLSA-N 1 2 327.384 2.477 40 0 EEABLO Cc1cc(NC(=O)C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)no1 ZINC000195561440 464077728 /nfs/dbraw/zinc/07/77/28/464077728.db2.gz AURDDNPXYQYRSH-SNVBAGLBSA-N 1 2 345.334 2.461 40 0 EEABLO CCC[C@]12CCCN1C(=O)N([C@@H]1CCN(c3cccc[nH+]3)C1)C2=O ZINC000241161345 464450613 /nfs/dbraw/zinc/45/06/13/464450613.db2.gz JZYLHQAEOGEZIQ-RDTXWAMCSA-N 1 2 328.416 2.257 40 0 EEABLO O=C(C1CC=CC1)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000247802693 464707376 /nfs/dbraw/zinc/70/73/76/464707376.db2.gz GWAMCNSOKCUQBX-MRXNPFEDSA-N 1 2 327.428 2.467 40 0 EEABLO c1cnc(OCC[C@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)cn1 ZINC000247860464 464710239 /nfs/dbraw/zinc/71/02/39/464710239.db2.gz ZZJIZHZRPZRAEA-INIZCTEOSA-N 1 2 340.427 2.322 40 0 EEABLO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](Oc1cnccn1)CCO2 ZINC000248119158 464731444 /nfs/dbraw/zinc/73/14/44/464731444.db2.gz CWEXIOFQCCOPOI-INIZCTEOSA-N 1 2 341.411 2.298 40 0 EEABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](CNc2ncccn2)CO3)o1 ZINC000248122086 464731898 /nfs/dbraw/zinc/73/18/98/464731898.db2.gz VLIWEKNCABRVPQ-OAHLLOKOSA-N 1 2 328.416 2.471 40 0 EEABLO Cc1ccc(Cl)cc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000252480157 464960543 /nfs/dbraw/zinc/96/05/43/464960543.db2.gz BXBOAQQOONYCOG-HOTGVXAUSA-N 1 2 337.851 2.263 40 0 EEABLO Cc1ccc(Cl)cc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000252480157 464960547 /nfs/dbraw/zinc/96/05/47/464960547.db2.gz BXBOAQQOONYCOG-HOTGVXAUSA-N 1 2 337.851 2.263 40 0 EEABLO Cc1cc(NC(=O)CN(C)c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)no1 ZINC000301190732 465918313 /nfs/dbraw/zinc/91/83/13/465918313.db2.gz WDIUZQQZVNLDIC-GFCCVEGCSA-N 1 2 344.419 2.084 40 0 EEABLO Cc1cc(NC(=O)CN(C)c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)no1 ZINC000301190732 465918322 /nfs/dbraw/zinc/91/83/22/465918322.db2.gz WDIUZQQZVNLDIC-GFCCVEGCSA-N 1 2 344.419 2.084 40 0 EEABLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)c1C ZINC000331743301 466228098 /nfs/dbraw/zinc/22/80/98/466228098.db2.gz WUEOFTCQVFCTSX-KRWDZBQOSA-N 1 2 342.443 2.307 40 0 EEABLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCO[C@H](Cn3cncn3)C2)c1C ZINC000331743301 466228102 /nfs/dbraw/zinc/22/81/02/466228102.db2.gz WUEOFTCQVFCTSX-KRWDZBQOSA-N 1 2 342.443 2.307 40 0 EEABLO CN(C)C(=O)c1cncc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)c1 ZINC000530250005 467968397 /nfs/dbraw/zinc/96/83/97/467968397.db2.gz KRBWYSVJOCESBV-MRXNPFEDSA-N 1 2 326.400 2.436 40 0 EEABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccoc1)C2)c1ccco1 ZINC000585102641 468970819 /nfs/dbraw/zinc/97/08/19/468970819.db2.gz DHHMRSKDMHYKMC-HNNXBMFYSA-N 1 2 330.384 2.284 40 0 EEABLO CO[C@H]1CC[N@H+](CC(=O)Nc2cc(F)ccc2C)C[C@@]12CCCO2 ZINC000585266367 468995604 /nfs/dbraw/zinc/99/56/04/468995604.db2.gz SWAVHZQTCAJZEG-WMZOPIPTSA-N 1 2 336.407 2.343 40 0 EEABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc(F)ccc2C)C[C@@]12CCCO2 ZINC000585266367 468995611 /nfs/dbraw/zinc/99/56/11/468995611.db2.gz SWAVHZQTCAJZEG-WMZOPIPTSA-N 1 2 336.407 2.343 40 0 EEABLO O=C(NCCCn1cc[nH+]c1)C1(c2cc(-c3ccco3)on2)CC1 ZINC000056919216 214395333 /nfs/dbraw/zinc/39/53/33/214395333.db2.gz QSJAGVFWUYXZLH-UHFFFAOYSA-N 1 2 326.356 2.369 40 0 EEABLO C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F)n1cc[nH+]c1 ZINC000068353410 215301890 /nfs/dbraw/zinc/30/18/90/215301890.db2.gz TVZDRUCNDXLFGG-FZMZJTMJSA-N 1 2 348.403 2.123 40 0 EEABLO C[N@H+](Cc1cnn(C2CCCCC2)c1)[C@]1(C)CCS(=O)(=O)C1 ZINC000036740647 213115750 /nfs/dbraw/zinc/11/57/50/213115750.db2.gz COWCAFULVFGOHN-MRXNPFEDSA-N 1 2 325.478 2.397 40 0 EEABLO C[N@@H+](Cc1cnn(C2CCCCC2)c1)[C@]1(C)CCS(=O)(=O)C1 ZINC000036740647 213115753 /nfs/dbraw/zinc/11/57/53/213115753.db2.gz COWCAFULVFGOHN-MRXNPFEDSA-N 1 2 325.478 2.397 40 0 EEABLO O=C(c1ccncc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355337 216164873 /nfs/dbraw/zinc/16/48/73/216164873.db2.gz KSRIDNFPOLQIHW-HNNXBMFYSA-N 1 2 334.383 2.077 40 0 EEABLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000072581733 216278134 /nfs/dbraw/zinc/27/81/34/216278134.db2.gz JUSULYHMDDLEHA-GFCCVEGCSA-N 1 2 349.385 2.421 40 0 EEABLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000072581733 216278138 /nfs/dbraw/zinc/27/81/38/216278138.db2.gz JUSULYHMDDLEHA-GFCCVEGCSA-N 1 2 349.385 2.421 40 0 EEABLO O=C(NCc1ccc(C2CC2)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000191610224 239208668 /nfs/dbraw/zinc/20/86/68/239208668.db2.gz UFWGGFLIXGJTLV-SFHVURJKSA-N 1 2 329.444 2.180 40 0 EEABLO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000195576679 241022205 /nfs/dbraw/zinc/02/22/05/241022205.db2.gz OEDDLUZXMJEHQP-UHFFFAOYSA-N 1 2 336.395 2.241 40 0 EEABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](Oc1cncc(C)n1)CCO2 ZINC000253601262 244034129 /nfs/dbraw/zinc/03/41/29/244034129.db2.gz NPNOHMKUBCULTI-CQSZACIVSA-N 1 2 346.456 2.362 40 0 EEABLO CNc1cc([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)cc[nH+]1 ZINC000257208881 244143713 /nfs/dbraw/zinc/14/37/13/244143713.db2.gz BNXAGGGQOHQNPR-CQSZACIVSA-N 1 2 336.399 2.186 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)CCn2nnc3ccccc32)[nH+]1 ZINC000257230875 244214053 /nfs/dbraw/zinc/21/40/53/244214053.db2.gz GEHUGJNDYYRKNO-INIZCTEOSA-N 1 2 338.415 2.227 40 0 EEABLO COc1ccc([C@@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2ccnnc2)cc1 ZINC000257248017 244260678 /nfs/dbraw/zinc/26/06/78/244260678.db2.gz JBRSCUNCFIJANE-KRWDZBQOSA-N 1 2 349.394 2.387 40 0 EEABLO CN(C)c1cc([C@H]2CCCN2S(=O)(=O)c2cccnc2)cc[nH+]1 ZINC000257263405 244352423 /nfs/dbraw/zinc/35/24/23/244352423.db2.gz LPUFOWQCWGYVGD-OAHLLOKOSA-N 1 2 332.429 2.068 40 0 EEABLO CC(C)C(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)C[N@H+](C)CC2 ZINC000019752345 212061818 /nfs/dbraw/zinc/06/18/18/212061818.db2.gz BTSHUXXGILLXKJ-MRXNPFEDSA-N 1 2 345.491 2.240 40 0 EEABLO CC(C)C(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)C[N@@H+](C)CC2 ZINC000019752345 212061820 /nfs/dbraw/zinc/06/18/20/212061820.db2.gz BTSHUXXGILLXKJ-MRXNPFEDSA-N 1 2 345.491 2.240 40 0 EEABLO O=C(C[NH+]1CCC(Oc2ccccc2F)CC1)NCc1ccccn1 ZINC000019656728 212052950 /nfs/dbraw/zinc/05/29/50/212052950.db2.gz GOPNYUWVWKJCIX-UHFFFAOYSA-N 1 2 343.402 2.380 40 0 EEABLO CN(C)c1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1F ZINC000079082619 217188758 /nfs/dbraw/zinc/18/87/58/217188758.db2.gz 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/nfs/dbraw/zinc/14/23/46/463142346.db2.gz UGLPYVZXWUMFAP-UHFFFAOYSA-N 1 2 341.411 2.182 40 0 EEABLO CCOC[C@@H]1C[N@H+](Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096045620 463150249 /nfs/dbraw/zinc/15/02/49/463150249.db2.gz FUAJGAZULINYOZ-INIZCTEOSA-N 1 2 327.432 2.219 40 0 EEABLO CCOC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096045620 463150253 /nfs/dbraw/zinc/15/02/53/463150253.db2.gz FUAJGAZULINYOZ-INIZCTEOSA-N 1 2 327.432 2.219 40 0 EEABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000096187804 463199070 /nfs/dbraw/zinc/19/90/70/463199070.db2.gz RHQZVOOSHAHVKI-OAHLLOKOSA-N 1 2 349.456 2.049 40 0 EEABLO Cc1ccsc1C(=O)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188576 463200366 /nfs/dbraw/zinc/20/03/66/463200366.db2.gz RNLSXVRYXABEDU-AWEZNQCLSA-N 1 2 341.440 2.422 40 0 EEABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccco2)CCO3)no1 ZINC000096205799 463208912 /nfs/dbraw/zinc/20/89/12/463208912.db2.gz YBHZGYULEJABQZ-RDTXWAMCSA-N 1 2 345.399 2.130 40 0 EEABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccco2)CCO3)no1 ZINC000096205799 463208915 /nfs/dbraw/zinc/20/89/15/463208915.db2.gz YBHZGYULEJABQZ-RDTXWAMCSA-N 1 2 345.399 2.130 40 0 EEABLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)N(C)Cc2ccco2)CC1 ZINC000096424278 463254907 /nfs/dbraw/zinc/25/49/07/463254907.db2.gz AUEBSWNVVHLBTN-INIZCTEOSA-N 1 2 342.443 2.012 40 0 EEABLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000096437657 463265569 /nfs/dbraw/zinc/26/55/69/463265569.db2.gz IDWVIRDRPWVGCO-ZDUSSCGKSA-N 1 2 341.419 2.142 40 0 EEABLO Cc1[nH]ccc1C(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000096470958 463279213 /nfs/dbraw/zinc/27/92/13/463279213.db2.gz FQEQGLBEEHMJNL-QZTJIDSGSA-N 1 2 325.412 2.049 40 0 EEABLO Cc1[nH]ccc1C(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000096470958 463279216 /nfs/dbraw/zinc/27/92/16/463279216.db2.gz FQEQGLBEEHMJNL-QZTJIDSGSA-N 1 2 325.412 2.049 40 0 EEABLO Cc1cc([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)nc2ccnn21 ZINC000257215793 463756263 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Cc1cnc(CCN(C)c2cc(N3CCSCC3)nc[nH+]2)s1 ZINC000225482802 464165372 /nfs/dbraw/zinc/16/53/72/464165372.db2.gz ZJABWBBQRMCIKE-UHFFFAOYSA-N 1 2 335.502 2.474 40 0 EEABLO Cc1cnc(CCN(C)c2cc(N3CCSCC3)[nH+]cn2)s1 ZINC000225482802 464165373 /nfs/dbraw/zinc/16/53/73/464165373.db2.gz ZJABWBBQRMCIKE-UHFFFAOYSA-N 1 2 335.502 2.474 40 0 EEABLO O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263913684 464236823 /nfs/dbraw/zinc/23/68/23/464236823.db2.gz NCAWZRPYDLVYDL-CHWSQXEVSA-N 1 2 344.381 2.390 40 0 EEABLO CN(C)c1cc(CNC(=O)NCCc2ccc(F)c(F)c2)cc[nH+]1 ZINC000188614535 464324984 /nfs/dbraw/zinc/32/49/84/464324984.db2.gz BJCHSRRTIQJVOT-UHFFFAOYSA-N 1 2 334.370 2.468 40 0 EEABLO Cn1cccc1C(=O)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000248098939 464728962 /nfs/dbraw/zinc/72/89/62/464728962.db2.gz DIRCSWVZBYABFU-HNNXBMFYSA-N 1 2 340.427 2.153 40 0 EEABLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(=O)c(OC)co1 ZINC000253395274 464998632 /nfs/dbraw/zinc/99/86/32/464998632.db2.gz 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/nfs/dbraw/zinc/10/25/25/535102525.db2.gz AOFSVKXKHPVETL-CQSZACIVSA-N 1 2 330.436 2.158 40 0 EEABLO CCn1nc(C)c2nc(C(C)C)nc(NCC[NH+]3CCOCC3)c21 ZINC000072238339 216077310 /nfs/dbraw/zinc/07/73/10/216077310.db2.gz DQBJIXTZPXWBML-UHFFFAOYSA-N 1 2 332.452 2.022 40 0 EEABLO Cc1nc(N2CCC[C@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)cc[nH+]1 ZINC000072369068 216176163 /nfs/dbraw/zinc/17/61/63/216176163.db2.gz HOTXSNCDTRSKIV-HNNXBMFYSA-N 1 2 334.383 2.272 40 0 EEABLO O=C(COc1ccccc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378593 216180742 /nfs/dbraw/zinc/18/07/42/216180742.db2.gz LVGVGEBDWSMHHK-KRWDZBQOSA-N 1 2 349.394 2.405 40 0 EEABLO Cc1cc(Nc2cnccn2)nc([C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382600 216183374 /nfs/dbraw/zinc/18/33/74/216183374.db2.gz GXNDZVZSCIYUIN-CYBMUJFWSA-N 1 2 336.403 2.031 40 0 EEABLO Cc1cc(Nc2cnccn2)nc([C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382600 216183378 /nfs/dbraw/zinc/18/33/78/216183378.db2.gz GXNDZVZSCIYUIN-CYBMUJFWSA-N 1 2 336.403 2.031 40 0 EEABLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000072581731 216278936 /nfs/dbraw/zinc/27/89/36/216278936.db2.gz JUSULYHMDDLEHA-LBPRGKRZSA-N 1 2 349.385 2.421 40 0 EEABLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000072581731 216278938 /nfs/dbraw/zinc/27/89/38/216278938.db2.gz JUSULYHMDDLEHA-LBPRGKRZSA-N 1 2 349.385 2.421 40 0 EEABLO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](Cc2ccccn2)C3)nc1 ZINC000253600775 244034147 /nfs/dbraw/zinc/03/41/47/244034147.db2.gz YMUPSYKLCGLQLP-MRXNPFEDSA-N 1 2 339.443 2.273 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)CCn2ccc(C)n2)CC[N@@H+]1C ZINC000257229249 244208060 /nfs/dbraw/zinc/20/80/60/244208060.db2.gz FXIWSAIQKMWLJP-QGZVFWFLSA-N 1 2 342.443 2.106 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)CCn2ccc(C)n2)CC[N@H+]1C ZINC000257229249 244208065 /nfs/dbraw/zinc/20/80/65/244208065.db2.gz FXIWSAIQKMWLJP-QGZVFWFLSA-N 1 2 342.443 2.106 40 0 EEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCn3cnc4ccccc43)C2)[nH+]1 ZINC000257318808 244513789 /nfs/dbraw/zinc/51/37/89/244513789.db2.gz 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CC[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245569800 276216186 /nfs/dbraw/zinc/21/61/86/276216186.db2.gz AULKNMMGDAKYIW-TZMCWYRMSA-N 1 2 337.786 2.163 40 0 EEABLO CC[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245569800 276216187 /nfs/dbraw/zinc/21/61/87/276216187.db2.gz AULKNMMGDAKYIW-TZMCWYRMSA-N 1 2 337.786 2.163 40 0 EEABLO O=C1NC[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)CCN12 ZINC000097230933 323321627 /nfs/dbraw/zinc/32/16/27/323321627.db2.gz KGQMXMRINFBZRG-ZDUSSCGKSA-N 1 2 334.851 2.150 40 0 EEABLO O=C1NC[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)CCN12 ZINC000097230933 323321629 /nfs/dbraw/zinc/32/16/29/323321629.db2.gz KGQMXMRINFBZRG-ZDUSSCGKSA-N 1 2 334.851 2.150 40 0 EEABLO C[NH+]1CCN(C(=S)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001564405 462583413 /nfs/dbraw/zinc/58/34/13/462583413.db2.gz FAJLKHQUDNTGPB-UHFFFAOYSA-N 1 2 326.465 2.497 40 0 EEABLO COC(=O)c1ccsc1N1CC[C@H]([N@H+](C)Cc2ccco2)C1=O ZINC000074980744 462662077 /nfs/dbraw/zinc/66/20/77/462662077.db2.gz JSKVCBBMYVEPSY-ZDUSSCGKSA-N 1 2 334.397 2.365 40 0 EEABLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000074980744 462662082 /nfs/dbraw/zinc/66/20/82/462662082.db2.gz JSKVCBBMYVEPSY-ZDUSSCGKSA-N 1 2 334.397 2.365 40 0 EEABLO CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCCCC3)=[NH+]2)cc1 ZINC000017071552 462995018 /nfs/dbraw/zinc/99/50/18/462995018.db2.gz KWWXWUIZLQYFAP-INIZCTEOSA-N 1 2 342.443 2.479 40 0 EEABLO CC[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000077528428 463000559 /nfs/dbraw/zinc/00/05/59/463000559.db2.gz XJJPUGLAMPFBQR-OAHLLOKOSA-N 1 2 327.375 2.047 40 0 EEABLO CC(C)c1cc(C(=O)N2CCC[C@H]2c2cc(C[NH+](C)C)n(C)n2)n[nH]1 ZINC000019709088 463020434 /nfs/dbraw/zinc/02/04/34/463020434.db2.gz LGYIUPIOQRPIPL-KRWDZBQOSA-N 1 2 344.463 2.306 40 0 EEABLO c1cncc(CO[C@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccncc2)c1 ZINC000096041366 463146108 /nfs/dbraw/zinc/14/61/08/463146108.db2.gz JQBBIYVYEXRENJ-FHWLQOOXSA-N 1 2 325.412 2.425 40 0 EEABLO c1cncc(CO[C@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccncc2)c1 ZINC000096041366 463146109 /nfs/dbraw/zinc/14/61/09/463146109.db2.gz JQBBIYVYEXRENJ-FHWLQOOXSA-N 1 2 325.412 2.425 40 0 EEABLO Cc1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049858 463152946 /nfs/dbraw/zinc/15/29/46/463152946.db2.gz ADFZLTVNFIWRPE-LJQANCHMSA-N 1 2 343.427 2.091 40 0 EEABLO Cc1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049858 463152951 /nfs/dbraw/zinc/15/29/51/463152951.db2.gz ADFZLTVNFIWRPE-LJQANCHMSA-N 1 2 343.427 2.091 40 0 EEABLO c1csc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC000096058095 463160463 /nfs/dbraw/zinc/16/04/63/463160463.db2.gz VRVWPAYABHZUPK-UXLLHSPISA-N 1 2 331.441 2.487 40 0 EEABLO c1csc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC000096058095 463160468 /nfs/dbraw/zinc/16/04/68/463160468.db2.gz VRVWPAYABHZUPK-UXLLHSPISA-N 1 2 331.441 2.487 40 0 EEABLO Cc1cc(CN2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)no1 ZINC000096207553 463209549 /nfs/dbraw/zinc/20/95/49/463209549.db2.gz ROPDOYOAKOZDTB-HNNXBMFYSA-N 1 2 339.399 2.286 40 0 EEABLO CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@H](C)O1 ZINC000096405584 463239144 /nfs/dbraw/zinc/23/91/44/463239144.db2.gz IWVOTPQMZAMZIG-WDEREUQCSA-N 1 2 334.342 2.154 40 0 EEABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)S1 ZINC000081737780 463487230 /nfs/dbraw/zinc/48/72/30/463487230.db2.gz ZARHNMQGYFYZJJ-CYBMUJFWSA-N 1 2 332.473 2.002 40 0 EEABLO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000072379003 463510148 /nfs/dbraw/zinc/51/01/48/463510148.db2.gz ZPPNKPJXHWUXFE-CQSZACIVSA-N 1 2 336.399 2.319 40 0 EEABLO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC000072379003 463510156 /nfs/dbraw/zinc/51/01/56/463510156.db2.gz ZPPNKPJXHWUXFE-CQSZACIVSA-N 1 2 336.399 2.319 40 0 EEABLO CC(C)CC(=O)N1CC[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257284474 463761417 /nfs/dbraw/zinc/76/14/17/463761417.db2.gz PCVXUEMPEDFJBG-CQSZACIVSA-N 1 2 325.416 2.483 40 0 EEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](c2cnccn2)C1 ZINC000257290463 463764313 /nfs/dbraw/zinc/76/43/13/463764313.db2.gz QDBSCFWHFVIIGK-OAHLLOKOSA-N 1 2 335.411 2.381 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000257340673 463786476 /nfs/dbraw/zinc/78/64/76/463786476.db2.gz ZHDLWZJRBLCPEV-ZDUSSCGKSA-N 1 2 337.420 2.332 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000257340673 463786482 /nfs/dbraw/zinc/78/64/82/463786482.db2.gz ZHDLWZJRBLCPEV-ZDUSSCGKSA-N 1 2 337.420 2.332 40 0 EEABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1cccnc1 ZINC000224357530 464151694 /nfs/dbraw/zinc/15/16/94/464151694.db2.gz KPIOFWNSNQLUAM-UHFFFAOYSA-N 1 2 326.404 2.180 40 0 EEABLO CCCn1cc(C[N@@H+]2CCCN(c3ncnc(N)c3Cl)CC2)cn1 ZINC000225478337 464164114 /nfs/dbraw/zinc/16/41/14/464164114.db2.gz VMSQAUAKRQLFIN-UHFFFAOYSA-N 1 2 349.870 2.031 40 0 EEABLO CCCn1cc(C[N@H+]2CCCN(c3ncnc(N)c3Cl)CC2)cn1 ZINC000225478337 464164116 /nfs/dbraw/zinc/16/41/16/464164116.db2.gz VMSQAUAKRQLFIN-UHFFFAOYSA-N 1 2 349.870 2.031 40 0 EEABLO Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)o1 ZINC000253416614 465004710 /nfs/dbraw/zinc/00/47/10/465004710.db2.gz RURBOKAXJFAGMO-JQFCIGGWSA-N 1 2 335.448 2.024 40 0 EEABLO Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)o1 ZINC000253416614 465004715 /nfs/dbraw/zinc/00/47/15/465004715.db2.gz RURBOKAXJFAGMO-JQFCIGGWSA-N 1 2 335.448 2.024 40 0 EEABLO Cc1cnc(C(=O)N2CC[C@@H]3CCN(c4cccc[nH+]4)[C@H]3CC2)cn1 ZINC000306139131 466494794 /nfs/dbraw/zinc/49/47/94/466494794.db2.gz SQASBJKEUVVWQH-WBVHZDCISA-N 1 2 337.427 2.311 40 0 EEABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)no1 ZINC000585099171 468966864 /nfs/dbraw/zinc/96/68/64/468966864.db2.gz RETCEAPNCGOFOK-INIZCTEOSA-N 1 2 342.443 2.333 40 0 EEABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)no1 ZINC000585099171 468966869 /nfs/dbraw/zinc/96/68/69/468966869.db2.gz RETCEAPNCGOFOK-INIZCTEOSA-N 1 2 342.443 2.333 40 0 EEABLO c1c[nH]c(C[NH+]2CCC(c3ccnc(Nc4cncnc4)n3)CC2)n1 ZINC000072354972 216164026 /nfs/dbraw/zinc/16/40/26/216164026.db2.gz WCIDNGBRPBUBRM-UHFFFAOYSA-N 1 2 336.403 2.113 40 0 EEABLO O=C(CC1CC1)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257247053 244259672 /nfs/dbraw/zinc/25/96/72/244259672.db2.gz IXELAAGHSMNHIM-SFHVURJKSA-N 1 2 329.444 2.377 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3CCCCC3)CC[N@@H+]2C)c1 ZINC000257276688 244393485 /nfs/dbraw/zinc/39/34/85/244393485.db2.gz NUSVLXFHEWHCTP-GOSISDBHSA-N 1 2 343.471 2.442 40 0 EEABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3CCCCC3)CC[N@H+]2C)c1 ZINC000257276688 244393487 /nfs/dbraw/zinc/39/34/87/244393487.db2.gz NUSVLXFHEWHCTP-GOSISDBHSA-N 1 2 343.471 2.442 40 0 EEABLO Cc1csc2c([C@@H]3CCCN(C(=O)Cn4cncn4)C3)[nH+]c(C)n12 ZINC000019240429 212008378 /nfs/dbraw/zinc/00/83/78/212008378.db2.gz BBTMFFIJZHJSCW-CYBMUJFWSA-N 1 2 344.444 2.010 40 0 EEABLO COC(=O)c1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)c(OC(F)F)c1 ZINC000078918999 217147426 /nfs/dbraw/zinc/14/74/26/217147426.db2.gz TYTIWDBONNHOKO-SECBINFHSA-N 1 2 339.298 2.471 40 0 EEABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1cccc(O)c1)C2 ZINC000012120664 211299622 /nfs/dbraw/zinc/29/96/22/211299622.db2.gz FMQUPHBYCGHYGJ-UHFFFAOYSA-N 1 2 334.379 2.096 40 0 EEABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1cccc(O)c1)C2 ZINC000012120664 211299626 /nfs/dbraw/zinc/29/96/26/211299626.db2.gz FMQUPHBYCGHYGJ-UHFFFAOYSA-N 1 2 334.379 2.096 40 0 EEABLO COC(=O)c1cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c[nH]1 ZINC000093385595 218219519 /nfs/dbraw/zinc/21/95/19/218219519.db2.gz SOCQUQBMVCXGIK-MRXNPFEDSA-N 1 2 345.374 2.178 40 0 EEABLO COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c[nH]1 ZINC000093385595 218219522 /nfs/dbraw/zinc/21/95/22/218219522.db2.gz SOCQUQBMVCXGIK-MRXNPFEDSA-N 1 2 345.374 2.178 40 0 EEABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CCC3)C2)on1 ZINC000096207862 218682743 /nfs/dbraw/zinc/68/27/43/218682743.db2.gz ICSHIXXUQIOWTA-HNNXBMFYSA-N 1 2 344.415 2.268 40 0 EEABLO C[C@@H]1c2nc(CC(=O)NC3CCCC3)cn2CC[N@@H+]1C1CCOCC1 ZINC000253591219 289099452 /nfs/dbraw/zinc/09/94/52/289099452.db2.gz KTQNSOOFQUTXCK-CQSZACIVSA-N 1 2 346.475 2.040 40 0 EEABLO C[C@@H]1c2nc(CC(=O)NC3CCCC3)cn2CC[N@H+]1C1CCOCC1 ZINC000253591219 289099455 /nfs/dbraw/zinc/09/94/55/289099455.db2.gz KTQNSOOFQUTXCK-CQSZACIVSA-N 1 2 346.475 2.040 40 0 EEABLO Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CC[NH+](C)CC2)c1 ZINC000060526149 462555113 /nfs/dbraw/zinc/55/51/13/462555113.db2.gz CSJMRHWKRYKLSL-UHFFFAOYSA-N 1 2 344.484 2.355 40 0 EEABLO O=C(NCc1[nH+]ccn1Cc1ccccc1)N[C@H]1CCCC[C@@H]1O ZINC000074818073 462638614 /nfs/dbraw/zinc/63/86/14/462638614.db2.gz QLSBNCALGJSOSG-HOTGVXAUSA-N 1 2 328.416 2.034 40 0 EEABLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cc3ccccc3[nH]2)no1 ZINC000065757347 462824186 /nfs/dbraw/zinc/82/41/86/462824186.db2.gz LITBUISKLYCBKR-UHFFFAOYSA-N 1 2 327.388 2.278 40 0 EEABLO NC(=O)Nc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000091211774 462855038 /nfs/dbraw/zinc/85/50/38/462855038.db2.gz ZXZGWXUWKVHVHS-UHFFFAOYSA-N 1 2 335.367 2.293 40 0 EEABLO OCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)o1 ZINC000015674089 462958172 /nfs/dbraw/zinc/95/81/72/462958172.db2.gz IPCWAQVRSDSMSN-CJNGLKHVSA-N 1 2 341.367 2.130 40 0 biogenic,in-vitro EEABLO OCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)o1 ZINC000015674089 462958178 /nfs/dbraw/zinc/95/81/78/462958178.db2.gz IPCWAQVRSDSMSN-CJNGLKHVSA-N 1 2 341.367 2.130 40 0 biogenic,in-vitro EEABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC000096042115 463146548 /nfs/dbraw/zinc/14/65/48/463146548.db2.gz YKTMCMKJVADHAI-OKZBNKHCSA-N 1 2 329.400 2.497 40 0 EEABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC000096042115 463146551 /nfs/dbraw/zinc/14/65/51/463146551.db2.gz YKTMCMKJVADHAI-OKZBNKHCSA-N 1 2 329.400 2.497 40 0 EEABLO CCOC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2[nH+]cn(C)c21 ZINC000096068619 463165995 /nfs/dbraw/zinc/16/59/95/463165995.db2.gz VMAWESUNTLAWML-AWEZNQCLSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096068619 463166000 /nfs/dbraw/zinc/16/60/00/463166000.db2.gz VMAWESUNTLAWML-AWEZNQCLSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096068619 463166005 /nfs/dbraw/zinc/16/60/05/463166005.db2.gz VMAWESUNTLAWML-AWEZNQCLSA-N 1 2 329.400 2.285 40 0 EEABLO Cc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)n1 ZINC000096112164 463179369 /nfs/dbraw/zinc/17/93/69/463179369.db2.gz XUZSZPBMXOGATR-ZBFHGGJFSA-N 1 2 341.390 2.400 40 0 biogenic,in-vitro EEABLO Cc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)n1 ZINC000096112164 463179376 /nfs/dbraw/zinc/17/93/76/463179376.db2.gz XUZSZPBMXOGATR-ZBFHGGJFSA-N 1 2 341.390 2.400 40 0 biogenic,in-vitro EEABLO CC(C)NC(=O)N1CCc2ncc(C[N@H+](C)Cc3ccco3)n2CC1 ZINC000096197098 463203092 /nfs/dbraw/zinc/20/30/92/463203092.db2.gz XHKLTOWCAPCPND-UHFFFAOYSA-N 1 2 345.447 2.084 40 0 EEABLO CC(C)NC(=O)N1CCc2ncc(C[N@@H+](C)Cc3ccco3)n2CC1 ZINC000096197098 463203099 /nfs/dbraw/zinc/20/30/99/463203099.db2.gz XHKLTOWCAPCPND-UHFFFAOYSA-N 1 2 345.447 2.084 40 0 EEABLO CN(C)c1nc(N2CCCC2)nc2c1C[N@H+](Cc1ccncc1)CC2 ZINC000096253972 463228170 /nfs/dbraw/zinc/22/81/70/463228170.db2.gz LGAAMCHPSAOQTK-UHFFFAOYSA-N 1 2 338.459 2.096 40 0 EEABLO CN(C)c1nc(N2CCCC2)nc2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000096253972 463228174 /nfs/dbraw/zinc/22/81/74/463228174.db2.gz LGAAMCHPSAOQTK-UHFFFAOYSA-N 1 2 338.459 2.096 40 0 EEABLO CN(C)c1nc(N2CCCC2)[nH+]c2c1CN(Cc1ccncc1)CC2 ZINC000096253972 463228179 /nfs/dbraw/zinc/22/81/79/463228179.db2.gz LGAAMCHPSAOQTK-UHFFFAOYSA-N 1 2 338.459 2.096 40 0 EEABLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096416898 463249262 /nfs/dbraw/zinc/24/92/62/463249262.db2.gz YCPCZZRGZWHZKP-JTQLQIEISA-N 1 2 328.294 2.038 40 0 EEABLO Cc1cccn2cc(CCNC(=O)N[C@@H]3CCO[C@H](C4CC4)C3)[nH+]c12 ZINC000097378433 463357692 /nfs/dbraw/zinc/35/76/92/463357692.db2.gz SGTJVLHQNQQVNM-WBVHZDCISA-N 1 2 342.443 2.442 40 0 EEABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccccc1 ZINC000044890762 463698373 /nfs/dbraw/zinc/69/83/73/463698373.db2.gz KBSVBLPIZMKOOZ-INIZCTEOSA-N 1 2 332.367 2.211 40 0 EEABLO CCc1noc(CCC(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257285145 463761989 /nfs/dbraw/zinc/76/19/89/463761989.db2.gz PFWBSZYQWKVQFO-CYBMUJFWSA-N 1 2 331.420 2.013 40 0 EEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)[nH+]1 ZINC000257288405 463763382 /nfs/dbraw/zinc/76/33/82/463763382.db2.gz PUBCDORDXHIQFA-OAHLLOKOSA-N 1 2 336.399 2.319 40 0 EEABLO CNc1cc([C@H]2CCCN(C(=O)COc3cccnc3)C2)cc[nH+]1 ZINC000257296890 463766589 /nfs/dbraw/zinc/76/65/89/463766589.db2.gz REWQBRJGGAMLFK-HNNXBMFYSA-N 1 2 326.400 2.303 40 0 EEABLO CCC(=O)N1CCC(Cc2cncc(-c3c[nH+]c(C)n3C)n2)CC1 ZINC000257309172 463771590 /nfs/dbraw/zinc/77/15/90/463771590.db2.gz TZVNIEBOFHNQRN-UHFFFAOYSA-N 1 2 327.432 2.377 40 0 EEABLO COc1ccc([C@@H]2C[N@H+](Cc3ccnc(C)n3)CCN2C(C)=O)cc1 ZINC000257310360 463772045 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CC[N@H+]1CC[C@@H](NC(=O)CCOC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000096501404 463291352 /nfs/dbraw/zinc/29/13/52/463291352.db2.gz XJTIVDSEXJZSJF-CJNGLKHVSA-N 1 2 330.350 2.392 40 0 EEABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ccncn2)c1 ZINC000257208440 463755908 /nfs/dbraw/zinc/75/59/08/463755908.db2.gz BMDXJOJZRUGEDK-MRXNPFEDSA-N 1 2 335.367 2.079 40 0 EEABLO Cc1cc(C(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)[nH]c(=O)n1 ZINC000257336876 463784243 /nfs/dbraw/zinc/78/42/43/463784243.db2.gz YQJZPRVIOYKGIE-UHFFFAOYSA-N 1 2 326.400 2.289 40 0 EEABLO COc1ccc2cc(S(=O)(=O)NCCCn3cc[nH+]c3)ccc2c1 ZINC000225797487 464182413 /nfs/dbraw/zinc/18/24/13/464182413.db2.gz WVQBSAWEOVIVLC-UHFFFAOYSA-N 1 2 345.424 2.414 40 0 EEABLO CCc1nsc(N2CCC[N@H+](Cc3ncnn3C(C)(C)C)CC2)n1 ZINC000241368051 464451563 /nfs/dbraw/zinc/45/15/63/464451563.db2.gz MJSHEMPNTQOAFT-UHFFFAOYSA-N 1 2 349.508 2.159 40 0 EEABLO CCc1nsc(N2CCC[N@@H+](Cc3ncnn3C(C)(C)C)CC2)n1 ZINC000241368051 464451568 /nfs/dbraw/zinc/45/15/68/464451568.db2.gz 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ZINC000575421372 468143792 /nfs/dbraw/zinc/14/37/92/468143792.db2.gz PLAZFOGHFMPBPF-QZTJIDSGSA-N 1 2 345.464 2.256 40 0 EEABLO Cc1cc(NC(=O)NCc2cc(Br)no2)c(C)c[nH+]1 ZINC000585140606 468988849 /nfs/dbraw/zinc/98/88/49/468988849.db2.gz HSRQNDHXSJSDCG-UHFFFAOYSA-N 1 2 325.166 2.193 40 0 EEABLO Cc1cc(CN2CCn3c(CCOCC4CC4)c[nH+]c3[C@H]2C)[nH]n1 ZINC000585097339 468965426 /nfs/dbraw/zinc/96/54/26/468965426.db2.gz IWBIVCVSAOVIQY-CQSZACIVSA-N 1 2 329.448 2.461 40 0 EEABLO CO[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1Cc1ccccc1 ZINC000585278901 469004509 /nfs/dbraw/zinc/00/45/09/469004509.db2.gz IMZDZMPIKPEZEV-MSOLQXFVSA-N 1 2 327.428 2.379 40 0 EEABLO CC(C)CO[C@H]1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663712748 471487462 /nfs/dbraw/zinc/48/74/62/471487462.db2.gz SLEXKZXQRCNFIJ-HNNXBMFYSA-N 1 2 334.464 2.079 40 0 EEABLO CC(C)CO[C@H]1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663712748 471487471 /nfs/dbraw/zinc/48/74/71/471487471.db2.gz SLEXKZXQRCNFIJ-HNNXBMFYSA-N 1 2 334.464 2.079 40 0 EEABLO CCc1nnc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)[nH]1 ZINC000195567077 536137964 /nfs/dbraw/zinc/13/79/64/536137964.db2.gz VFPGWJAIHCZVTM-KRWDZBQOSA-N 1 2 335.452 2.200 40 0 EEABLO CCc1nnc(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)[nH]1 ZINC000195567077 536137968 /nfs/dbraw/zinc/13/79/68/536137968.db2.gz VFPGWJAIHCZVTM-KRWDZBQOSA-N 1 2 335.452 2.200 40 0 EEABLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000240412912 295952139 /nfs/dbraw/zinc/95/21/39/295952139.db2.gz FORPVZWALSNYPU-HNNXBMFYSA-N 1 2 349.394 2.363 40 0 EEABLO O=C(NCc1ccc(C2CC2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000191610241 239209488 /nfs/dbraw/zinc/20/94/88/239209488.db2.gz UFWGGFLIXGJTLV-GOSISDBHSA-N 1 2 329.444 2.180 40 0 EEABLO Cc1[nH+]cc(-c2nccnc2C[C@@H]2CCCN(c3ncccn3)C2)n1C ZINC000257248360 244264296 /nfs/dbraw/zinc/26/42/96/244264296.db2.gz JDICRAUTZNCXBT-HNNXBMFYSA-N 1 2 349.442 2.435 40 0 EEABLO O=C(C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC1CC1 ZINC000019345995 212019871 /nfs/dbraw/zinc/01/98/71/212019871.db2.gz WQMJPFKFKZDJHK-CYBMUJFWSA-N 1 2 349.818 2.163 40 0 EEABLO O=C(C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC1CC1 ZINC000019345995 212019873 /nfs/dbraw/zinc/01/98/73/212019873.db2.gz WQMJPFKFKZDJHK-CYBMUJFWSA-N 1 2 349.818 2.163 40 0 EEABLO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000078643069 217092671 /nfs/dbraw/zinc/09/26/71/217092671.db2.gz HFTQVCLNXFAAIO-HNNXBMFYSA-N 1 2 337.851 2.246 40 0 EEABLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000078643069 217092675 /nfs/dbraw/zinc/09/26/75/217092675.db2.gz HFTQVCLNXFAAIO-HNNXBMFYSA-N 1 2 337.851 2.246 40 0 EEABLO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cnnn1C ZINC000091962093 218094556 /nfs/dbraw/zinc/09/45/56/218094556.db2.gz CWNRFIDLQONCDW-KXBFYZLASA-N 1 2 342.491 2.251 40 0 EEABLO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cnnn1C ZINC000091962093 218094559 /nfs/dbraw/zinc/09/45/59/218094559.db2.gz CWNRFIDLQONCDW-KXBFYZLASA-N 1 2 342.491 2.251 40 0 EEABLO CCc1nncn1CCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000096434640 218812182 /nfs/dbraw/zinc/81/21/82/218812182.db2.gz HUMUJCKIDIDJFL-UHFFFAOYSA-N 1 2 339.403 2.063 40 0 EEABLO C[C@]12CC[C@H]3[C@@H](C[C@@H]([NH+]4CC4)[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O ZINC000118922978 221204220 /nfs/dbraw/zinc/20/42/20/221204220.db2.gz DLLYIRQRNHFLFN-UKLRKDRTSA-N 1 2 347.499 2.368 40 0 EEABLO S=C(NCCCn1cc[nH+]c1)SCc1cn2cccnc2n1 ZINC000002667904 462598888 /nfs/dbraw/zinc/59/88/88/462598888.db2.gz QDWJNPMXZKUTCB-UHFFFAOYSA-N 1 2 332.458 2.124 40 0 EEABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)NC1CCCC1 ZINC000012142792 462844937 /nfs/dbraw/zinc/84/49/37/462844937.db2.gz OWUKONJNMAKRLU-UHFFFAOYSA-N 1 2 326.400 2.138 40 0 EEABLO CC(C)(C)C(=O)N1CC[C@H]2CC(=O)N(CCc3c[nH+]c[nH]3)CC[C@H]2C1 ZINC000015672893 462958194 /nfs/dbraw/zinc/95/81/94/462958194.db2.gz CGLZYNBQYWZJTD-GJZGRUSLSA-N 1 2 346.475 2.085 40 0 biogenic,in-vitro EEABLO CC(C)(C)C(=O)N1CC[C@H]2CC(=O)N(CCc3c[nH]c[nH+]3)CC[C@H]2C1 ZINC000015672893 462958199 /nfs/dbraw/zinc/95/81/99/462958199.db2.gz CGLZYNBQYWZJTD-GJZGRUSLSA-N 1 2 346.475 2.085 40 0 biogenic,in-vitro EEABLO CC1CCN(C(=O)[C@H]2C[C@@H]3CC[N@H+](Cc4nccs4)C[C@H]3O2)CC1 ZINC000096042770 463148010 /nfs/dbraw/zinc/14/80/10/463148010.db2.gz YVULARZQQNQPOA-ARFHVFGLSA-N 1 2 349.500 2.381 40 0 EEABLO CC1CCN(C(=O)[C@H]2C[C@@H]3CC[N@@H+](Cc4nccs4)C[C@H]3O2)CC1 ZINC000096042770 463148017 /nfs/dbraw/zinc/14/80/17/463148017.db2.gz YVULARZQQNQPOA-ARFHVFGLSA-N 1 2 349.500 2.381 40 0 EEABLO Cc1ccoc1C(=O)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096084729 463170794 /nfs/dbraw/zinc/17/07/94/463170794.db2.gz VOFMUGQCAZEXGK-UHFFFAOYSA-N 1 2 343.431 2.212 40 0 EEABLO c1coc(CN2CCOC[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)c1 ZINC000096202200 463207099 /nfs/dbraw/zinc/20/70/99/463207099.db2.gz MDRRKXCARXMPBR-QGZVFWFLSA-N 1 2 333.457 2.461 40 0 EEABLO c1coc(CN2CCOC[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)c1 ZINC000096202200 463207103 /nfs/dbraw/zinc/20/71/03/463207103.db2.gz MDRRKXCARXMPBR-QGZVFWFLSA-N 1 2 333.457 2.461 40 0 EEABLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000096421059 463252009 /nfs/dbraw/zinc/25/20/09/463252009.db2.gz NTRMQIBDXQVVBO-CYBMUJFWSA-N 1 2 349.456 2.416 40 0 EEABLO C[N@H+](CCS(C)(=O)=O)CC1(c2ccc(Br)cc2)CC1 ZINC000096421182 463253249 /nfs/dbraw/zinc/25/32/49/463253249.db2.gz GGSPOGZVZISVPE-UHFFFAOYSA-N 1 2 346.290 2.457 40 0 EEABLO C[N@@H+](CCS(C)(=O)=O)CC1(c2ccc(Br)cc2)CC1 ZINC000096421182 463253252 /nfs/dbraw/zinc/25/32/52/463253252.db2.gz GGSPOGZVZISVPE-UHFFFAOYSA-N 1 2 346.290 2.457 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(F)c3F)CC2)S1 ZINC000096443768 463268296 /nfs/dbraw/zinc/26/82/96/463268296.db2.gz FLMYMLMULDYUCZ-JTQLQIEISA-N 1 2 325.384 2.214 40 0 EEABLO Cc1cccc(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000097096612 463322534 /nfs/dbraw/zinc/32/25/34/463322534.db2.gz HJIBPGOOIFORBI-UHFFFAOYSA-N 1 2 338.455 2.460 40 0 EEABLO O=C(NC[C@H]1OC[C@@H]2CN(c3cccc[nH+]3)CC[C@@H]21)c1ccsc1 ZINC000107201998 463561808 /nfs/dbraw/zinc/56/18/08/463561808.db2.gz SIIUXUIRCYLPPW-HRCADAONSA-N 1 2 343.452 2.414 40 0 EEABLO CC(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257280163 463759844 /nfs/dbraw/zinc/75/98/44/463759844.db2.gz OJSXPBQBEYHVKG-SFHVURJKSA-N 1 2 329.444 2.182 40 0 EEABLO COc1ccccc1[C@H]1CN(Cc2[nH]c[nH+]c2C)CCN1C(C)=O ZINC000257333208 463782488 /nfs/dbraw/zinc/78/24/88/463782488.db2.gz YAQKBJCOYAUDBB-QGZVFWFLSA-N 1 2 328.416 2.132 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)[nH+]1 ZINC000257336462 463784497 /nfs/dbraw/zinc/78/44/97/463784497.db2.gz YONHITPWVYTRPI-ZDUSSCGKSA-N 1 2 337.420 2.436 40 0 EEABLO Cc1cncc([C@H]2CCCN(C(=O)C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000257341283 463785721 /nfs/dbraw/zinc/78/57/21/463785721.db2.gz ZJRCTBFVTSVWRZ-KRWDZBQOSA-N 1 2 339.443 2.018 40 0 EEABLO Cc1cncc([C@H]2CCCN(C(=O)C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000257341283 463785728 /nfs/dbraw/zinc/78/57/28/463785728.db2.gz ZJRCTBFVTSVWRZ-KRWDZBQOSA-N 1 2 339.443 2.018 40 0 EEABLO CCOC(=O)c1ccccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000195337252 464042906 /nfs/dbraw/zinc/04/29/06/464042906.db2.gz LOTRDNHWZIPSBF-UHFFFAOYSA-N 1 2 332.381 2.010 40 0 EEABLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc[nH+]cc1CC ZINC000265320977 464517335 /nfs/dbraw/zinc/51/73/35/464517335.db2.gz SBPVHIKZTVQKIZ-OAHLLOKOSA-N 1 2 339.461 2.177 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cn1 ZINC000248135158 464732318 /nfs/dbraw/zinc/73/23/18/464732318.db2.gz OIHHFFSEWCAIRH-BFYDXBDKSA-N 1 2 348.472 2.073 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cn1 ZINC000248135158 464732326 /nfs/dbraw/zinc/73/23/26/464732326.db2.gz OIHHFFSEWCAIRH-BFYDXBDKSA-N 1 2 348.472 2.073 40 0 EEABLO Cc1cc(=O)[nH]c([C@H](C)N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000192679472 464975762 /nfs/dbraw/zinc/97/57/62/464975762.db2.gz VJORDCYGJFQXIY-AWEZNQCLSA-N 1 2 328.416 2.075 40 0 EEABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](Oc3cccnc3)C2)n(C)n1 ZINC000306142686 466493953 /nfs/dbraw/zinc/49/39/53/466493953.db2.gz XGLDUDDDCCMOAT-IBGZPJMESA-N 1 2 337.427 2.388 40 0 EEABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](Oc3cccnc3)C2)n(C)n1 ZINC000306142686 466493961 /nfs/dbraw/zinc/49/39/61/466493961.db2.gz XGLDUDDDCCMOAT-IBGZPJMESA-N 1 2 337.427 2.388 40 0 EEABLO CCc1nc(N)c2c([nH+]1)C[C@@H](c1ccc(OC)c(OC)c1)CC2=O ZINC000408712782 466681928 /nfs/dbraw/zinc/68/19/28/466681928.db2.gz QPCZZYLXTYUOFC-LLVKDONJSA-N 1 2 327.384 2.551 40 0 EEABLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000390833944 467414255 /nfs/dbraw/zinc/41/42/55/467414255.db2.gz PFZIYKWQPCKKSJ-DZGCQCFKSA-N 1 2 336.407 2.406 40 0 EEABLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000390833944 467414258 /nfs/dbraw/zinc/41/42/58/467414258.db2.gz PFZIYKWQPCKKSJ-DZGCQCFKSA-N 1 2 336.407 2.406 40 0 EEABLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)N1CCCC1 ZINC000585111601 468974669 /nfs/dbraw/zinc/97/46/69/468974669.db2.gz DKKJIMFIFCFNKK-GOSISDBHSA-N 1 2 339.443 2.245 40 0 EEABLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)N1CCCC1 ZINC000585111601 468974679 /nfs/dbraw/zinc/97/46/79/468974679.db2.gz DKKJIMFIFCFNKK-GOSISDBHSA-N 1 2 339.443 2.245 40 0 EEABLO Cc1ccccc1Oc1nccnc1C1CC[NH+](CC(N)=O)CC1 ZINC000072367852 216175141 /nfs/dbraw/zinc/17/51/41/216175141.db2.gz VHGNKUPUDQMTNN-UHFFFAOYSA-N 1 2 326.400 2.242 40 0 EEABLO COc1ccc([C@H]2CN(c3cc(C)[nH+]cn3)CCN2C(C)=O)cc1 ZINC000072369021 216175904 /nfs/dbraw/zinc/17/59/04/216175904.db2.gz KKQKEZJNRHOTSN-QGZVFWFLSA-N 1 2 326.400 2.203 40 0 EEABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CCCc3ccccn3)CC2)S1 ZINC000073118509 216351994 /nfs/dbraw/zinc/35/19/94/216351994.db2.gz GLUODYGXIXLINX-CQSZACIVSA-N 1 2 332.473 2.040 40 0 EEABLO COc1cc(CCC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)on1 ZINC000257206121 244132634 /nfs/dbraw/zinc/13/26/34/244132634.db2.gz BBXZPKJTSJPTQL-OAHLLOKOSA-N 1 2 344.415 2.441 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257222155 244188342 /nfs/dbraw/zinc/18/83/42/244188342.db2.gz DSDXPHAGFBRDJB-AWEZNQCLSA-N 1 2 327.384 2.129 40 0 EEABLO NC(=O)[C@@]1(CCCc2cnccn2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000257235453 244226752 /nfs/dbraw/zinc/22/67/52/244226752.db2.gz GXXLAWDSUCLYST-GOSISDBHSA-N 1 2 328.391 2.068 40 0 EEABLO NC(=O)[C@@]1(CCCc2cnccn2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000257235453 244226756 /nfs/dbraw/zinc/22/67/56/244226756.db2.gz GXXLAWDSUCLYST-GOSISDBHSA-N 1 2 328.391 2.068 40 0 EEABLO NC(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000257269704 244372642 /nfs/dbraw/zinc/37/26/42/244372642.db2.gz MQZQTLKHHKGRTG-ZDUSSCGKSA-N 1 2 342.428 2.012 40 0 EEABLO NC(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@H+]1Cc1cncs1 ZINC000257269704 244372656 /nfs/dbraw/zinc/37/26/56/244372656.db2.gz MQZQTLKHHKGRTG-ZDUSSCGKSA-N 1 2 342.428 2.012 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)[nH+]1 ZINC000257275704 244390890 /nfs/dbraw/zinc/39/08/90/244390890.db2.gz NQNDQMACUUEPTI-INIZCTEOSA-N 1 2 336.399 2.287 40 0 EEABLO COc1ccc(OC)c(C[NH+]2CCN(c3nnc(C)s3)CC2)c1 ZINC000077487741 216917125 /nfs/dbraw/zinc/91/71/25/216917125.db2.gz XWZFCARZVJRIEI-UHFFFAOYSA-N 1 2 334.445 2.186 40 0 EEABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 ZINC000097379130 219019926 /nfs/dbraw/zinc/01/99/26/219019926.db2.gz HXAAMEJZPQBLPB-ZDUSSCGKSA-N 1 2 337.489 2.116 40 0 EEABLO COc1cnccc1[C@@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000187490558 533137615 /nfs/dbraw/zinc/13/76/15/533137615.db2.gz DKJFANPGNOLAKP-CYBMUJFWSA-N 1 2 329.404 2.394 40 0 EEABLO CO[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(C)C ZINC000073873310 463664826 /nfs/dbraw/zinc/66/48/26/463664826.db2.gz RTQAJRPGNYLWRY-MRXNPFEDSA-N 1 2 334.395 2.482 40 0 EEABLO Cc1cc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)no1 ZINC000074421285 462596889 /nfs/dbraw/zinc/59/68/89/462596889.db2.gz WVMMITLVPINIPC-MRXNPFEDSA-N 1 2 328.347 2.304 40 0 EEABLO C[N@@H+]1CCC[C@H]1c1cccnc1NS(=O)(=O)c1ccc(N)cc1 ZINC000005497345 462661477 /nfs/dbraw/zinc/66/14/77/462661477.db2.gz CNSIMCYISUDFFY-HNNXBMFYSA-N 1 2 332.429 2.231 40 0 EEABLO C[N@H+]1CCC[C@H]1c1cccnc1NS(=O)(=O)c1ccc(N)cc1 ZINC000005497345 462661482 /nfs/dbraw/zinc/66/14/82/462661482.db2.gz CNSIMCYISUDFFY-HNNXBMFYSA-N 1 2 332.429 2.231 40 0 EEABLO O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@H+](Cc3ccccn3)CCN12 ZINC000077266656 462960581 /nfs/dbraw/zinc/96/05/81/462960581.db2.gz LVZQTRHIKCAFLC-GOSISDBHSA-N 1 2 340.402 2.343 40 0 biogenic,in-vitro EEABLO O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@@H+](Cc3ccccn3)CCN12 ZINC000077266656 462960585 /nfs/dbraw/zinc/96/05/85/462960585.db2.gz LVZQTRHIKCAFLC-GOSISDBHSA-N 1 2 340.402 2.343 40 0 biogenic,in-vitro EEABLO O=C(c1ccccn1)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096187990 463200584 /nfs/dbraw/zinc/20/05/84/463200584.db2.gz MXORLEWJVOHBGN-OAHLLOKOSA-N 1 2 349.394 2.024 40 0 EEABLO O=C(N1CCCC1)N1CCC2(C[C@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221379 463218111 /nfs/dbraw/zinc/21/81/11/463218111.db2.gz ZJCCLORZNRNTRF-HNNXBMFYSA-N 1 2 330.432 2.333 40 0 EEABLO Fc1cnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccco2)CCO3)nc1 ZINC000096226577 463221129 /nfs/dbraw/zinc/22/11/29/463221129.db2.gz PPLJACCQQZZJQF-KRWDZBQOSA-N 1 2 332.379 2.080 40 0 EEABLO Fc1cnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccco2)CCO3)nc1 ZINC000096226577 463221135 /nfs/dbraw/zinc/22/11/35/463221135.db2.gz PPLJACCQQZZJQF-KRWDZBQOSA-N 1 2 332.379 2.080 40 0 EEABLO Cn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000096484474 463282659 /nfs/dbraw/zinc/28/26/59/463282659.db2.gz YPQFFWWWGZKPHF-LSDHHAIUSA-N 1 2 336.798 2.388 40 0 EEABLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000096484474 463282660 /nfs/dbraw/zinc/28/26/60/463282660.db2.gz YPQFFWWWGZKPHF-LSDHHAIUSA-N 1 2 336.798 2.388 40 0 EEABLO Cc1cc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)ccc1C(N)=O ZINC000096495966 463289333 /nfs/dbraw/zinc/28/93/33/463289333.db2.gz SNFOWEMNYHYMAZ-UHFFFAOYSA-N 1 2 343.349 2.307 40 0 EEABLO Cc1nccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000096503127 463292532 /nfs/dbraw/zinc/29/25/32/463292532.db2.gz PKUKIJXNFULFBN-CYBMUJFWSA-N 1 2 345.472 2.435 40 0 EEABLO Cc1ncccc1C[N@@H+]1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000097371171 463355165 /nfs/dbraw/zinc/35/51/65/463355165.db2.gz AWNZTLGYGYYJQX-QGZVFWFLSA-N 1 2 336.395 2.043 40 0 EEABLO Cc1ncccc1C[N@H+]1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000097371171 463355171 /nfs/dbraw/zinc/35/51/71/463355171.db2.gz AWNZTLGYGYYJQX-QGZVFWFLSA-N 1 2 336.395 2.043 40 0 EEABLO Cc1nc(N2CCN(C(=O)NC[C@H](C)c3ccsc3)CC2)cc[nH+]1 ZINC000097376467 463356288 /nfs/dbraw/zinc/35/62/88/463356288.db2.gz JPGDUYKORQDZGM-ZDUSSCGKSA-N 1 2 345.472 2.482 40 0 EEABLO CCn1cc[nH+]c1CS(=O)(=O)c1ncc(-c2ccccc2)n1C ZINC000081532624 463455086 /nfs/dbraw/zinc/45/50/86/463455086.db2.gz MBFWQEOSRWKGAE-UHFFFAOYSA-N 1 2 330.413 2.277 40 0 EEABLO Cc1ccc(N2CCC(C(=O)NC[C@H](C)Cn3ccnc3)CC2)[nH+]c1 ZINC000081798321 463494496 /nfs/dbraw/zinc/49/44/96/463494496.db2.gz AAHCRORPOCONCL-INIZCTEOSA-N 1 2 341.459 2.255 40 0 EEABLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(C)no2)cc1OC ZINC000044892067 463699193 /nfs/dbraw/zinc/69/91/93/463699193.db2.gz NPHCWDNRFZPLCS-UHFFFAOYSA-N 1 2 333.388 2.461 40 0 EEABLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C)no2)cc1OC ZINC000044892067 463699195 /nfs/dbraw/zinc/69/91/95/463699195.db2.gz NPHCWDNRFZPLCS-UHFFFAOYSA-N 1 2 333.388 2.461 40 0 EEABLO C[C@@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1nc(C(C)(C)C)no1 ZINC000177582443 463742180 /nfs/dbraw/zinc/74/21/80/463742180.db2.gz PLFXNCWVNOFIPW-OLZOCXBDSA-N 1 2 346.435 2.499 40 0 EEABLO Cc1ccnn1CCC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257286968 463763296 /nfs/dbraw/zinc/76/32/96/463763296.db2.gz PNVKWFLROVZVFL-MRXNPFEDSA-N 1 2 327.432 2.104 40 0 EEABLO CCCn1cc(Cl)c(C(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257293485 463765546 /nfs/dbraw/zinc/76/55/46/463765546.db2.gz QPQMQYOEVIJDBF-GFCCVEGCSA-N 1 2 337.811 2.192 40 0 EEABLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](Cc3cc[nH]n3)C2)cc1 ZINC000257295052 463765731 /nfs/dbraw/zinc/76/57/31/463765731.db2.gz QWSLEDDQOMTQRX-OAHLLOKOSA-N 1 2 333.457 2.268 40 0 EEABLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](Cc3cc[nH]n3)C2)cc1 ZINC000257295052 463765739 /nfs/dbraw/zinc/76/57/39/463765739.db2.gz QWSLEDDQOMTQRX-OAHLLOKOSA-N 1 2 333.457 2.268 40 0 EEABLO CNc1nccnc1[C@H]1C[N@H+](CCOc2ccc(F)cc2)CCO1 ZINC000257330508 463781563 /nfs/dbraw/zinc/78/15/63/463781563.db2.gz XORZCLRBQGCDGV-OAHLLOKOSA-N 1 2 332.379 2.110 40 0 EEABLO CNc1nccnc1[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CCO1 ZINC000257330508 463781567 /nfs/dbraw/zinc/78/15/67/463781567.db2.gz XORZCLRBQGCDGV-OAHLLOKOSA-N 1 2 332.379 2.110 40 0 EEABLO COC[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc(C)o1 ZINC000225561622 464172666 /nfs/dbraw/zinc/17/26/66/464172666.db2.gz FYSLCQWTERCZQX-ZDUSSCGKSA-N 1 2 330.375 2.369 40 0 EEABLO CC(C)CS(=O)(=O)N1CCC(Nc2cc[nH+]c3ccncc23)CC1 ZINC000272035267 464455226 /nfs/dbraw/zinc/45/52/26/464455226.db2.gz SQPRCOSABKCOSR-UHFFFAOYSA-N 1 2 348.472 2.492 40 0 EEABLO CCc1c(NC(=O)[C@@H]2C[N@H+](C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000192131286 464871400 /nfs/dbraw/zinc/87/14/00/464871400.db2.gz YHOZFFCCHXTQHD-INIZCTEOSA-N 1 2 348.834 2.357 40 0 EEABLO CCc1c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000192131286 464871402 /nfs/dbraw/zinc/87/14/02/464871402.db2.gz YHOZFFCCHXTQHD-INIZCTEOSA-N 1 2 348.834 2.357 40 0 EEABLO C[C@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000252533209 464980756 /nfs/dbraw/zinc/98/07/56/464980756.db2.gz GFZVOUANMSPHAY-WDEREUQCSA-N 1 2 326.359 2.241 40 0 EEABLO C[C@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000252533209 464980759 /nfs/dbraw/zinc/98/07/59/464980759.db2.gz GFZVOUANMSPHAY-WDEREUQCSA-N 1 2 326.359 2.241 40 0 EEABLO C[N@@H+]1CCC[C@H]1c1nc(C(=O)NC[C@@H]2CCCO2)c2ccccn21 ZINC000306123163 466486971 /nfs/dbraw/zinc/48/69/71/466486971.db2.gz AFYCQXPNYZVRCQ-ZFWWWQNUSA-N 1 2 328.416 2.010 40 0 EEABLO C[N@H+]1CCC[C@H]1c1nc(C(=O)NC[C@@H]2CCCO2)c2ccccn21 ZINC000306123163 466486977 /nfs/dbraw/zinc/48/69/77/466486977.db2.gz AFYCQXPNYZVRCQ-ZFWWWQNUSA-N 1 2 328.416 2.010 40 0 EEABLO CC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306138218 466494142 /nfs/dbraw/zinc/49/41/42/466494142.db2.gz RSORUXARJPDXCG-APWZRJJASA-N 1 2 344.459 2.038 40 0 EEABLO CCOc1ccc(Cl)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000408594885 466682275 /nfs/dbraw/zinc/68/22/75/466682275.db2.gz PQUOBVORTGFXIV-UHFFFAOYSA-N 1 2 343.836 2.304 40 0 EEABLO CO[C@H]1CCC[N@H+](Cc2cn[nH]c2C)[C@H]1CCC(=O)N1CCCC1 ZINC000585275290 468998797 /nfs/dbraw/zinc/99/87/97/468998797.db2.gz CEVFPNLJZZIIAR-IRXDYDNUSA-N 1 2 334.464 2.100 40 0 EEABLO CO[C@H]1CCC[N@@H+](Cc2cn[nH]c2C)[C@H]1CCC(=O)N1CCCC1 ZINC000585275290 468998803 /nfs/dbraw/zinc/99/88/03/468998803.db2.gz CEVFPNLJZZIIAR-IRXDYDNUSA-N 1 2 334.464 2.100 40 0 EEABLO CC(C)c1nc2[nH]ccc2c(N2CCC(CS(C)(=O)=O)CC2)[nH+]1 ZINC000631282112 470109834 /nfs/dbraw/zinc/10/98/34/470109834.db2.gz PGGUUVWSOLNNSR-UHFFFAOYSA-N 1 2 336.461 2.342 40 0 EEABLO Cc1c([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)cnn1-c1ccccn1 ZINC000183851329 533946094 /nfs/dbraw/zinc/94/60/94/533946094.db2.gz UTAHITGTJGCWOR-CYBMUJFWSA-N 1 2 337.431 2.354 40 0 EEABLO Cc1cc(C)n(Cc2ccc(C(=O)NCCCn3cc[nH+]c3)o2)n1 ZINC000027980476 1352373652 /nfs/dbraw/zinc/37/36/52/1352373652.db2.gz YMPKCSPYVJUZKQ-UHFFFAOYSA-N 1 2 327.388 2.158 40 0 EEABLO O=C1CC2(CC[NH+](Cc3cnc[nH]3)CC2)ON1Cc1ccccc1 ZINC001549161682 1121134166 /nfs/dbraw/zinc/13/41/66/1121134166.db2.gz JHZZBDDIMCXTCC-UHFFFAOYSA-N 1 2 326.400 2.108 40 0 EEABLO O=C1CC2(CC[NH+](Cc3c[nH]cn3)CC2)ON1Cc1ccccc1 ZINC001549161682 1121134168 /nfs/dbraw/zinc/13/41/68/1121134168.db2.gz JHZZBDDIMCXTCC-UHFFFAOYSA-N 1 2 326.400 2.108 40 0 EEABLO O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000054276297 214229244 /nfs/dbraw/zinc/22/92/44/214229244.db2.gz YTUBJIMSVIQGCJ-LZLYRXPVSA-N 1 2 338.455 2.415 40 0 EEABLO O=C(CC1CCCC1)NCCn1ncc2c1nc[nH+]c2N1CCCC1 ZINC000038483333 213210508 /nfs/dbraw/zinc/21/05/08/213210508.db2.gz KTUQQPIKAMVBEV-UHFFFAOYSA-N 1 2 342.447 2.123 40 0 EEABLO C[C@@H]1CCCCN1C(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000072335722 216157514 /nfs/dbraw/zinc/15/75/14/216157514.db2.gz ZFEJHZBWOJSXSD-CQSZACIVSA-N 1 2 340.427 2.480 40 0 EEABLO Cc1cc(N2CC[C@@H](c3cc(Nc4ncccn4)nc(C)n3)C2)nc[nH+]1 ZINC000072382761 216183278 /nfs/dbraw/zinc/18/32/78/216183278.db2.gz JPHLHMKWKWZMMQ-CQSZACIVSA-N 1 2 348.414 2.411 40 0 EEABLO CC(C)n1cc[nH+]c1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257210062 276086310 /nfs/dbraw/zinc/08/63/10/276086310.db2.gz BSYXLVONOYQOFP-IRXDYDNUSA-N 1 2 340.427 2.080 40 0 EEABLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097234549 323321596 /nfs/dbraw/zinc/32/15/96/323321596.db2.gz ZFMJBEZEUDXJIM-INIZCTEOSA-N 1 2 342.447 2.422 40 0 EEABLO Cc1cc(N2CCOCC2)nc(SCC(=O)Nc2ccccc2)[nH+]1 ZINC000003103667 462610406 /nfs/dbraw/zinc/61/04/06/462610406.db2.gz BKNIOQLDLNWBEH-UHFFFAOYSA-N 1 2 344.440 2.352 40 0 EEABLO Cc1ccc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccco2)CCO3)nn1 ZINC000096074847 463169568 /nfs/dbraw/zinc/16/95/68/463169568.db2.gz YOZVNZKHGVXTDF-SFHVURJKSA-N 1 2 328.416 2.249 40 0 EEABLO Cc1ccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccco2)CCO3)nn1 ZINC000096074847 463169572 /nfs/dbraw/zinc/16/95/72/463169572.db2.gz YOZVNZKHGVXTDF-SFHVURJKSA-N 1 2 328.416 2.249 40 0 EEABLO Cc1nc(C)n(C[C@H]2Cn3ccnc3C[N@H+](Cc3cccs3)C2)n1 ZINC000096188701 463200014 /nfs/dbraw/zinc/20/00/14/463200014.db2.gz MNYMMWCRQKZEAQ-OAHLLOKOSA-N 1 2 342.472 2.485 40 0 EEABLO Cc1nc(C)n(C[C@H]2Cn3ccnc3C[N@@H+](Cc3cccs3)C2)n1 ZINC000096188701 463200020 /nfs/dbraw/zinc/20/00/20/463200020.db2.gz MNYMMWCRQKZEAQ-OAHLLOKOSA-N 1 2 342.472 2.485 40 0 EEABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@H](COCc2cccnc2)C1 ZINC000096188087 463200075 /nfs/dbraw/zinc/20/00/75/463200075.db2.gz WIAYSRKVPOVCFK-KRWDZBQOSA-N 1 2 340.427 2.253 40 0 EEABLO O=C(Cc1ccsc1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188578 463200705 /nfs/dbraw/zinc/20/07/05/463200705.db2.gz VQTKZEIJLZZPFO-OAHLLOKOSA-N 1 2 341.440 2.042 40 0 EEABLO Cn1cccc1C(=O)N1CCC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096222960 463219854 /nfs/dbraw/zinc/21/98/54/463219854.db2.gz XKVRTNGKASVECV-BEFAXECRSA-N 1 2 340.427 2.296 40 0 EEABLO c1cc(C[N@@H+]2CCCn3nnc(CNc4ncccn4)c3C2)cs1 ZINC000096259497 463230080 /nfs/dbraw/zinc/23/00/80/463230080.db2.gz PHWRJXVHGAQDEK-UHFFFAOYSA-N 1 2 341.444 2.148 40 0 EEABLO c1cc(C[N@H+]2CCCn3nnc(CNc4ncccn4)c3C2)cs1 ZINC000096259497 463230086 /nfs/dbraw/zinc/23/00/86/463230086.db2.gz PHWRJXVHGAQDEK-UHFFFAOYSA-N 1 2 341.444 2.148 40 0 EEABLO O=C(c1ccccc1)N1CCCn2c(C[NH+]3CCCCC3)nnc2C1 ZINC000096259677 463230147 /nfs/dbraw/zinc/23/01/47/463230147.db2.gz FVPYZPUCSPCZLE-UHFFFAOYSA-N 1 2 339.443 2.310 40 0 EEABLO O=C(Nc1ccnc2ccnn21)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000096411709 463245310 /nfs/dbraw/zinc/24/53/10/463245310.db2.gz GSFCVURKQCYLTE-OAHLLOKOSA-N 1 2 336.399 2.118 40 0 EEABLO O=C(Nc1ccnc2ccnn21)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000096411709 463245316 /nfs/dbraw/zinc/24/53/16/463245316.db2.gz GSFCVURKQCYLTE-OAHLLOKOSA-N 1 2 336.399 2.118 40 0 EEABLO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000096417566 463249055 /nfs/dbraw/zinc/24/90/55/463249055.db2.gz MXGZOCODQINMMG-HOTGVXAUSA-N 1 2 343.814 2.262 40 0 EEABLO O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096426513 463256078 /nfs/dbraw/zinc/25/60/78/463256078.db2.gz ZWIYOKRVUCYAGV-CVEARBPZSA-N 1 2 341.411 2.354 40 0 EEABLO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)N[C@H]2CCCSC2)CC1 ZINC000096503183 463292432 /nfs/dbraw/zinc/29/24/32/463292432.db2.gz BPTRUIUPCFFRGL-GJZGRUSLSA-N 1 2 334.489 2.365 40 0 EEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)C2=Cc3ccccc3OC2)[nH+]1 ZINC000257228339 463756341 /nfs/dbraw/zinc/75/63/41/463756341.db2.gz FTLHFRUTAQFBIF-OAHLLOKOSA-N 1 2 325.368 2.094 40 0 EEABLO O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257298367 463766827 /nfs/dbraw/zinc/76/68/27/463766827.db2.gz RLJKZHOEKDPJAD-GOSISDBHSA-N 1 2 333.395 2.258 40 0 EEABLO Cc1nc(C[C@H]2CCCN(c3cccc[nH+]3)C2)cc(C(=O)N(C)C)n1 ZINC000257310474 463772445 /nfs/dbraw/zinc/77/24/45/463772445.db2.gz UFEVNPQYVQEBMZ-OAHLLOKOSA-N 1 2 339.443 2.341 40 0 EEABLO Cc1ccn(CCC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257310965 463773997 /nfs/dbraw/zinc/77/39/97/463773997.db2.gz UHJGXJWEQOAVKT-MRXNPFEDSA-N 1 2 327.432 2.406 40 0 EEABLO CCCn1cc[nH+]c1CN1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257325721 463778475 /nfs/dbraw/zinc/77/84/75/463778475.db2.gz WUDKGEAINRPGAC-INIZCTEOSA-N 1 2 329.448 2.328 40 0 EEABLO C[C@H](CNC(=O)Cc1cnc2ccccc2c1)[N@@H+]1CCOC[C@@H]1C ZINC000195573937 464079821 /nfs/dbraw/zinc/07/98/21/464079821.db2.gz WXOUGIXZRHVXFE-CABCVRRESA-N 1 2 327.428 2.003 40 0 EEABLO C[C@H](CNC(=O)Cc1cnc2ccccc2c1)[N@H+]1CCOC[C@@H]1C ZINC000195573937 464079825 /nfs/dbraw/zinc/07/98/25/464079825.db2.gz WXOUGIXZRHVXFE-CABCVRRESA-N 1 2 327.428 2.003 40 0 EEABLO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)c(Cl)s1 ZINC000225395837 464156756 /nfs/dbraw/zinc/15/67/56/464156756.db2.gz JUHOGZYZSPUFGL-BQBZGAKWSA-N 1 2 326.643 2.092 40 0 EEABLO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Br)c(Cl)s1 ZINC000225395837 464156763 /nfs/dbraw/zinc/15/67/63/464156763.db2.gz JUHOGZYZSPUFGL-BQBZGAKWSA-N 1 2 326.643 2.092 40 0 EEABLO c1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)nc1 ZINC000247987089 464721580 /nfs/dbraw/zinc/72/15/80/464721580.db2.gz ZMPZATCQXSMTHO-SFHVURJKSA-N 1 2 325.412 2.427 40 0 EEABLO Cn1cc[nH+]c1CN1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC000248138978 464734133 /nfs/dbraw/zinc/73/41/33/464734133.db2.gz PPKNSRQIXOFBHT-GRDNDAEWSA-N 1 2 348.472 2.073 40 0 EEABLO COCCc1c[nH+]c2n1CCN(C(=O)Cc1ccc(F)cc1)[C@@H]2C ZINC000585097952 468967337 /nfs/dbraw/zinc/96/73/37/468967337.db2.gz PQUBYZHKBVAHPE-CYBMUJFWSA-N 1 2 331.391 2.357 40 0 EEABLO CC(C)(C(=O)NCCOCc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000252508723 534334699 /nfs/dbraw/zinc/33/46/99/534334699.db2.gz XRNSJMANDGPMIN-UHFFFAOYSA-N 1 2 340.851 2.084 40 0 EEABLO O=C(COc1ccccc1F)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130024008 534638475 /nfs/dbraw/zinc/63/84/75/534638475.db2.gz XOPQHOYHYSEDJV-AWEZNQCLSA-N 1 2 329.375 2.385 40 0 EEABLO COC[C@H]1CCS(=O)(=O)C12C[NH+](Cc1cccc3ccccc31)C2 ZINC000247848949 536554368 /nfs/dbraw/zinc/55/43/68/536554368.db2.gz NXPWLIOKESPNQR-QGZVFWFLSA-N 1 2 345.464 2.475 40 0 EEABLO CC[C@@H]1CN(C(=O)C2CCCC2)[C@H](CO)[C@@H]1C[N@@H+]1CCC(F)(F)C1 ZINC001772595114 1178853289 /nfs/dbraw/zinc/85/32/89/1178853289.db2.gz ZGHHJJJGBIEXJE-FVQBIDKESA-N 1 2 344.446 2.363 40 0 EEABLO CC[C@@H]1CN(C(=O)C2CCCC2)[C@H](CO)[C@@H]1C[N@H+]1CCC(F)(F)C1 ZINC001772595114 1178853298 /nfs/dbraw/zinc/85/32/98/1178853298.db2.gz ZGHHJJJGBIEXJE-FVQBIDKESA-N 1 2 344.446 2.363 40 0 EEABLO CC[N@H+](Cc1noc(C)n1)[C@@H]1CCCN(C(=O)c2ccns2)CC1 ZINC001548454006 1124295670 /nfs/dbraw/zinc/29/56/70/1124295670.db2.gz SQMBDUJMAHIRJP-CYBMUJFWSA-N 1 2 349.460 2.351 40 0 EEABLO CC[N@@H+](Cc1noc(C)n1)[C@@H]1CCCN(C(=O)c2ccns2)CC1 ZINC001548454006 1124295674 /nfs/dbraw/zinc/29/56/74/1124295674.db2.gz SQMBDUJMAHIRJP-CYBMUJFWSA-N 1 2 349.460 2.351 40 0 EEABLO CC1(C)c2ccccc2N(CCC(=O)NCCCn2cc[nH+]c2)C1=O ZINC000057355671 214423397 /nfs/dbraw/zinc/42/33/97/214423397.db2.gz ZYJQQDRSSNDKPJ-UHFFFAOYSA-N 1 2 340.427 2.104 40 0 EEABLO Cc1cc(C[C@H](C)NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)n[nH]1 ZINC000178183245 232102631 /nfs/dbraw/zinc/10/26/31/232102631.db2.gz GULGIUMWPVQGNW-AWEZNQCLSA-N 1 2 341.459 2.385 40 0 EEABLO Cc1cccc(Oc2nccnc2[C@@H]2CCC[N@H+](CC(N)=O)C2)c1 ZINC000072361827 216168761 /nfs/dbraw/zinc/16/87/61/216168761.db2.gz HCLFXIKCQFLFGC-CQSZACIVSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1cccc(Oc2nccnc2[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000072361827 216168763 /nfs/dbraw/zinc/16/87/63/216168763.db2.gz HCLFXIKCQFLFGC-CQSZACIVSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1cccc(Nc2cc([C@@H]3CCCC[N@@H+]3CC(N)=O)nc(C)n2)n1 ZINC000072384651 216185736 /nfs/dbraw/zinc/18/57/36/216185736.db2.gz UTMHHAILZIRMNM-HNNXBMFYSA-N 1 2 340.431 2.244 40 0 EEABLO Cc1cccc(Nc2cc([C@@H]3CCCC[N@H+]3CC(N)=O)nc(C)n2)n1 ZINC000072384651 216185740 /nfs/dbraw/zinc/18/57/40/216185740.db2.gz UTMHHAILZIRMNM-HNNXBMFYSA-N 1 2 340.431 2.244 40 0 EEABLO Cc1cccc2[nH+]c(CN3CCNC(=O)[C@@H]3c3cccs3)cn21 ZINC000072800226 216308155 /nfs/dbraw/zinc/30/81/55/216308155.db2.gz CAYSKXATUDYCQD-INIZCTEOSA-N 1 2 326.425 2.377 40 0 EEABLO Cc1nc([C@H]2CCCN2C(=O)CCCn2cc[nH+]c2)cc(N(C)C)n1 ZINC000257201584 244122144 /nfs/dbraw/zinc/12/21/44/244122144.db2.gz AIFMDPXHARLGDS-MRXNPFEDSA-N 1 2 342.447 2.191 40 0 EEABLO Cc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)s1 ZINC000257231304 244212142 /nfs/dbraw/zinc/21/21/42/244212142.db2.gz GGCPPCBKMVXRRB-QGZVFWFLSA-N 1 2 331.441 2.165 40 0 EEABLO Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257263842 244355275 /nfs/dbraw/zinc/35/52/75/244355275.db2.gz LRSHEVDFOUDCNI-OAHLLOKOSA-N 1 2 327.432 2.209 40 0 EEABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCN(C(=O)C(C)C)C3)n2)n1C ZINC000257277690 244396980 /nfs/dbraw/zinc/39/69/80/244396980.db2.gz NYZZXLXZVFPELI-CQSZACIVSA-N 1 2 327.432 2.233 40 0 EEABLO Cc1noc(C)c1-c1cccc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000257343498 244576769 /nfs/dbraw/zinc/57/67/69/244576769.db2.gz ZTGUELPBIQBYHZ-UHFFFAOYSA-N 1 2 325.372 2.370 40 0 EEABLO Cc1c(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cnn1C ZINC000019553792 212040816 /nfs/dbraw/zinc/04/08/16/212040816.db2.gz BXIFIJURAPGTMQ-UHFFFAOYSA-N 1 2 346.406 2.350 40 0 EEABLO O=C(C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)Nc1ccncc1 ZINC000078663088 217096779 /nfs/dbraw/zinc/09/67/79/217096779.db2.gz UHJMJZWKLMGPQT-UHFFFAOYSA-N 1 2 344.459 2.135 40 0 EEABLO O=C(C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)Nc1ccncc1 ZINC000078663088 217096784 /nfs/dbraw/zinc/09/67/84/217096784.db2.gz UHJMJZWKLMGPQT-UHFFFAOYSA-N 1 2 344.459 2.135 40 0 EEABLO CC(C)c1noc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000266187387 248157685 /nfs/dbraw/zinc/15/76/85/248157685.db2.gz BJSKAGOEPXHMDP-UHFFFAOYSA-N 1 2 332.452 2.467 40 0 EEABLO NC(=O)[C@@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CCO1 ZINC000092735747 218163488 /nfs/dbraw/zinc/16/34/88/218163488.db2.gz FXQAGYVJMGZOPV-SFHVURJKSA-N 1 2 344.386 2.091 40 0 EEABLO NC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CCO1 ZINC000092735747 218163491 /nfs/dbraw/zinc/16/34/91/218163491.db2.gz FXQAGYVJMGZOPV-SFHVURJKSA-N 1 2 344.386 2.091 40 0 EEABLO O=C(NCCOC1CCCC1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000096502996 218880323 /nfs/dbraw/zinc/88/03/23/218880323.db2.gz STBQYQAOXFZYLF-UHFFFAOYSA-N 1 2 332.448 2.263 40 0 EEABLO Cc1cc(C(=O)N2CC[NH+](Cc3cc4ccccc4o3)CC2)ncn1 ZINC000097230000 219000495 /nfs/dbraw/zinc/00/04/95/219000495.db2.gz DOQFSFGBDRYBAQ-UHFFFAOYSA-N 1 2 336.395 2.489 40 0 EEABLO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000075968701 462779313 /nfs/dbraw/zinc/77/93/13/462779313.db2.gz AMIXXSDRNYUBAD-UHFFFAOYSA-N 1 2 332.429 2.037 40 0 EEABLO Fc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC000096049143 463153771 /nfs/dbraw/zinc/15/37/71/463153771.db2.gz KQVGBRALTHAXBG-LJQANCHMSA-N 1 2 342.418 2.487 40 0 EEABLO Fc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC000096049143 463153773 /nfs/dbraw/zinc/15/37/73/463153773.db2.gz KQVGBRALTHAXBG-LJQANCHMSA-N 1 2 342.418 2.487 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)o1 ZINC000096080572 463168544 /nfs/dbraw/zinc/16/85/44/463168544.db2.gz NUEJYBTUKRXYIW-AEFFLSMTSA-N 1 2 346.452 2.234 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)o1 ZINC000096080572 463168549 /nfs/dbraw/zinc/16/85/49/463168549.db2.gz NUEJYBTUKRXYIW-AEFFLSMTSA-N 1 2 346.452 2.234 40 0 EEABLO Cc1occc1C(=O)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096084731 463170609 /nfs/dbraw/zinc/17/06/09/463170609.db2.gz CEAIJVDPLUZZSP-UHFFFAOYSA-N 1 2 343.431 2.212 40 0 EEABLO C[C@H](Oc1ccccc1)C(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C ZINC000096121399 463181935 /nfs/dbraw/zinc/18/19/35/463181935.db2.gz DITPMHGYCRDBGQ-LBPRGKRZSA-N 1 2 329.404 2.015 40 0 EEABLO Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccsc3)[C@H]3COC[C@H]32)n1 ZINC000096185140 463196015 /nfs/dbraw/zinc/19/60/15/463196015.db2.gz DLAMNTRCZMDBJF-BRWVUGGUSA-N 1 2 343.452 2.081 40 0 EEABLO Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ccsc3)[C@H]3COC[C@H]32)n1 ZINC000096185140 463196021 /nfs/dbraw/zinc/19/60/21/463196021.db2.gz DLAMNTRCZMDBJF-BRWVUGGUSA-N 1 2 343.452 2.081 40 0 EEABLO c1csc(CN2Cc3[nH+]ccn3C[C@@H](COc3cccnc3)C2)n1 ZINC000096187964 463200167 /nfs/dbraw/zinc/20/01/67/463200167.db2.gz FPQDVSHHCDXXAC-AWEZNQCLSA-N 1 2 341.440 2.446 40 0 EEABLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000027927370 463209484 /nfs/dbraw/zinc/20/94/84/463209484.db2.gz SLTPECYHAYKVPO-UHFFFAOYSA-N 1 2 333.480 2.197 40 0 EEABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN(C(=O)c1ccc(Cl)cc1)C2 ZINC000096259108 463229982 /nfs/dbraw/zinc/22/99/82/463229982.db2.gz VZYIGPMHNWHRID-UHFFFAOYSA-N 1 2 341.802 2.474 40 0 EEABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3nccc4ccccc43)CC2)S1 ZINC000096426971 463255878 /nfs/dbraw/zinc/25/58/78/463255878.db2.gz DPDYUTDYVATMAB-CYBMUJFWSA-N 1 2 340.452 2.484 40 0 EEABLO O=C(Nc1c(O)cccc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096436566 463264971 /nfs/dbraw/zinc/26/49/71/463264971.db2.gz SIIQPAPIQUJDLN-INIZCTEOSA-N 1 2 330.359 2.371 40 0 EEABLO O=C(Nc1c(O)cccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096436566 463264976 /nfs/dbraw/zinc/26/49/76/463264976.db2.gz SIIQPAPIQUJDLN-INIZCTEOSA-N 1 2 330.359 2.371 40 0 EEABLO Cc1cc(C[NH+]2CCN(c3cncc(OCC(C)C)n3)CC2)on1 ZINC000096447896 463271028 /nfs/dbraw/zinc/27/10/28/463271028.db2.gz WJLMVZFFJIBTHZ-UHFFFAOYSA-N 1 2 331.420 2.130 40 0 EEABLO CC1(C)C[NH+]=C(N2CCN(c3nccc(C(F)(F)F)n3)CC2)S1 ZINC000096461268 463276998 /nfs/dbraw/zinc/27/69/98/463276998.db2.gz XHXLUNAUIHDILP-UHFFFAOYSA-N 1 2 345.394 2.499 40 0 EEABLO CC[C@@H](C)S(=O)(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000096472471 463279185 /nfs/dbraw/zinc/27/91/85/463279185.db2.gz YCBMSZRZDPJOQB-SECBINFHSA-N 1 2 346.250 2.315 40 0 EEABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3cccc(F)c3)[C@H]2C1 ZINC000107816080 463583635 /nfs/dbraw/zinc/58/36/35/463583635.db2.gz HHUPDTIYRFEZLU-QAPCUYQASA-N 1 2 346.427 2.331 40 0 EEABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3cccc(F)c3)[C@H]2C1 ZINC000107816080 463583640 /nfs/dbraw/zinc/58/36/40/463583640.db2.gz HHUPDTIYRFEZLU-QAPCUYQASA-N 1 2 346.427 2.331 40 0 EEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cnn3cccnc23)cc[nH+]1 ZINC000257286981 463763468 /nfs/dbraw/zinc/76/34/68/463763468.db2.gz PNXXSGGXKWNMKR-HNNXBMFYSA-N 1 2 336.399 2.168 40 0 EEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257298455 463767550 /nfs/dbraw/zinc/76/75/50/463767550.db2.gz RLQZEZYOZUZXGU-OAHLLOKOSA-N 1 2 337.427 2.390 40 0 EEABLO CNc1cc([C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)cc[nH+]1 ZINC000257335039 463782893 /nfs/dbraw/zinc/78/28/93/463782893.db2.gz YILAXCPSGYWIRA-OAHLLOKOSA-N 1 2 327.432 2.196 40 0 EEABLO CCS(=O)(=O)c1ccccc1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000195576246 464080593 /nfs/dbraw/zinc/08/05/93/464080593.db2.gz HUZFOVAWLIRICN-GASCZTMLSA-N 1 2 340.489 2.026 40 0 EEABLO CCS(=O)(=O)c1ccccc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000195576246 464080600 /nfs/dbraw/zinc/08/06/00/464080600.db2.gz HUZFOVAWLIRICN-GASCZTMLSA-N 1 2 340.489 2.026 40 0 EEABLO Cc1cc(C(C)C)nc(N2CCN(c3nc[nH+]c(N)c3Cl)CC2)n1 ZINC000225486800 464164647 /nfs/dbraw/zinc/16/46/47/464164647.db2.gz VMVZWTMLQFFVFI-UHFFFAOYSA-N 1 2 347.854 2.261 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)NC3CCC3)C2)o1 ZINC000248033869 464725988 /nfs/dbraw/zinc/72/59/88/464725988.db2.gz MGWANOKAWVRHOD-HNNXBMFYSA-N 1 2 328.416 2.090 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)NC3CCC3)C2)o1 ZINC000248033869 464725993 /nfs/dbraw/zinc/72/59/93/464725993.db2.gz MGWANOKAWVRHOD-HNNXBMFYSA-N 1 2 328.416 2.090 40 0 EEABLO CCCOc1cccc2c(N3CC[C@@H]4OCC(=O)N[C@H]4C3)cc[nH+]c12 ZINC000252479169 464960653 /nfs/dbraw/zinc/96/06/53/464960653.db2.gz BALGAMXFGUCPAB-HOCLYGCPSA-N 1 2 341.411 2.117 40 0 EEABLO CN(C)c1noc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)n1 ZINC000253396446 465000274 /nfs/dbraw/zinc/00/02/74/465000274.db2.gz FFARJPBDNLFYTF-SECBINFHSA-N 1 2 344.341 2.257 40 0 EEABLO CN(C)c1noc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)n1 ZINC000253396446 465000279 /nfs/dbraw/zinc/00/02/79/465000279.db2.gz FFARJPBDNLFYTF-SECBINFHSA-N 1 2 344.341 2.257 40 0 EEABLO C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)[C@H](O)c1ccc(F)cc1 ZINC000253413430 465002860 /nfs/dbraw/zinc/00/28/60/465002860.db2.gz ZNPPFZKGHCSLDS-BZNIZROVSA-N 1 2 344.377 2.341 40 0 EEABLO COCCc1c[nH+]c2n1CCN(C(=O)Cc1ccc(F)cc1)[C@H]2C ZINC000585097953 468967618 /nfs/dbraw/zinc/96/76/18/468967618.db2.gz PQUBYZHKBVAHPE-ZDUSSCGKSA-N 1 2 331.391 2.357 40 0 EEABLO CCn1cc[nH+]c1CN1CCOC[C@](COc2ccccc2)(OC)C1 ZINC000585276915 469002286 /nfs/dbraw/zinc/00/22/86/469002286.db2.gz SQRAERBPEOUMDJ-LJQANCHMSA-N 1 2 345.443 2.199 40 0 EEABLO CCn1ccnc1C[N@@H+]1CCOC[C@](COc2ccccc2)(OC)C1 ZINC000585276915 469002293 /nfs/dbraw/zinc/00/22/93/469002293.db2.gz SQRAERBPEOUMDJ-LJQANCHMSA-N 1 2 345.443 2.199 40 0 EEABLO CCn1ccnc1C[N@H+]1CCOC[C@](COc2ccccc2)(OC)C1 ZINC000585276915 469002301 /nfs/dbraw/zinc/00/23/01/469002301.db2.gz SQRAERBPEOUMDJ-LJQANCHMSA-N 1 2 345.443 2.199 40 0 EEABLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc3ccccc3n2C)CC1 ZINC000039640176 213241024 /nfs/dbraw/zinc/24/10/24/213241024.db2.gz HFFCMWWOOFNRNX-ZDUSSCGKSA-N 1 2 332.473 2.218 40 0 EEABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072360409 216167588 /nfs/dbraw/zinc/16/75/88/216167588.db2.gz QIVKFOXDUUTJCL-AWEZNQCLSA-N 1 2 336.403 2.379 40 0 EEABLO CC(=O)N(CC[NH+]1CCN(C(C)=O)CC1)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000020791495 212172275 /nfs/dbraw/zinc/17/22/75/212172275.db2.gz HRUBGZMAOSUVOK-ZWOKBUDYSA-N 1 2 349.519 2.237 40 0 EEABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc2ccccc21 ZINC000257246723 244258117 /nfs/dbraw/zinc/25/81/17/244258117.db2.gz IVNSNZQAYCVTPG-ICSRJNTNSA-N 1 2 340.423 2.394 40 0 EEABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc2ccccc21 ZINC000257246723 244258121 /nfs/dbraw/zinc/25/81/21/244258121.db2.gz IVNSNZQAYCVTPG-ICSRJNTNSA-N 1 2 340.423 2.394 40 0 EEABLO COc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000078556743 217077416 /nfs/dbraw/zinc/07/74/16/217077416.db2.gz LMNJXOJGEHTSGU-UHFFFAOYSA-N 1 2 344.396 2.385 40 0 EEABLO COCCN(CCC(=O)Nc1cc(C)on1)c1[nH]c2ccccc2[nH+]1 ZINC000095438698 218382307 /nfs/dbraw/zinc/38/23/07/218382307.db2.gz RULDQUYOXYMYBY-UHFFFAOYSA-N 1 2 343.387 2.341 40 0 EEABLO Cc1cc(C(=O)N2CCN(Cc3ccncc3)c3[nH+]cccc3C2)no1 ZINC000096198976 218670317 /nfs/dbraw/zinc/67/03/17/218670317.db2.gz SZYGCOKEORFAIH-UHFFFAOYSA-N 1 2 349.394 2.436 40 0 EEABLO C[C@H]1CN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCO1 ZINC000096459729 218843275 /nfs/dbraw/zinc/84/32/75/218843275.db2.gz BZVQHHHEUBCPCO-INIZCTEOSA-N 1 2 342.443 2.446 40 0 EEABLO COc1ccc(Cl)cc1C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000062021979 462606538 /nfs/dbraw/zinc/60/65/38/462606538.db2.gz TXFQMTOUAFXIHB-UHFFFAOYSA-N 1 2 348.834 2.003 40 0 EEABLO COCCCn1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000088389874 462625830 /nfs/dbraw/zinc/62/58/30/462625830.db2.gz TWKDHHVXIIDWDA-ZDUSSCGKSA-N 1 2 332.408 2.402 40 0 EEABLO Cc1occc1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CC2)C1 ZINC000096044910 463149096 /nfs/dbraw/zinc/14/90/96/463149096.db2.gz BKAQSKKQKJAUAT-AWEZNQCLSA-N 1 2 329.400 2.488 40 0 EEABLO Fc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC000096049144 463153756 /nfs/dbraw/zinc/15/37/56/463153756.db2.gz KQVGBRALTHAXBG-IBGZPJMESA-N 1 2 342.418 2.487 40 0 EEABLO Fc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC000096049144 463153760 /nfs/dbraw/zinc/15/37/60/463153760.db2.gz KQVGBRALTHAXBG-IBGZPJMESA-N 1 2 342.418 2.487 40 0 EEABLO O=C(c1ccco1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061692 463160906 /nfs/dbraw/zinc/16/09/06/463160906.db2.gz KEIAYLHUHFLRMK-MSOLQXFVSA-N 1 2 340.423 2.438 40 0 EEABLO O=C(c1ccoc1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061693 463161331 /nfs/dbraw/zinc/16/13/31/463161331.db2.gz QADBIRRZDJOJPY-MOPGFXCFSA-N 1 2 340.423 2.438 40 0 EEABLO Cc1noc(C)c1CN1CCn2c(Cn3cccn3)c[nH+]c2[C@H]1C ZINC000096070146 463165421 /nfs/dbraw/zinc/16/54/21/463165421.db2.gz ZXAQMVAQBZRGOU-CYBMUJFWSA-N 1 2 326.404 2.310 40 0 EEABLO Cc1cc(C[N@@H+]2C[C@H](NC(=O)c3ccno3)[C@H]3OCCC[C@H]32)oc1C ZINC000096186898 463199248 /nfs/dbraw/zinc/19/92/48/463199248.db2.gz NLFVGDLLSSIGOD-ZMSDIMECSA-N 1 2 345.399 2.046 40 0 EEABLO Cc1cc(C[N@H+]2C[C@H](NC(=O)c3ccno3)[C@H]3OCCC[C@H]32)oc1C ZINC000096186898 463199254 /nfs/dbraw/zinc/19/92/54/463199254.db2.gz NLFVGDLLSSIGOD-ZMSDIMECSA-N 1 2 345.399 2.046 40 0 EEABLO O=C1CCCN1C[C@H]1Cn2ccnc2C[N@H+](Cc2cccs2)C1 ZINC000096188410 463200664 /nfs/dbraw/zinc/20/06/64/463200664.db2.gz QNJIAJBBFQIEOU-CQSZACIVSA-N 1 2 330.457 2.199 40 0 EEABLO O=C1CCCN1C[C@H]1Cn2ccnc2C[N@@H+](Cc2cccs2)C1 ZINC000096188410 463200667 /nfs/dbraw/zinc/20/06/67/463200667.db2.gz QNJIAJBBFQIEOU-CQSZACIVSA-N 1 2 330.457 2.199 40 0 EEABLO O=C(c1ccco1)N1CCN(CCn2cccn2)c2[nH+]cccc2C1 ZINC000096198990 463204882 /nfs/dbraw/zinc/20/48/82/463204882.db2.gz REQWHRFFUXNNNC-UHFFFAOYSA-N 1 2 337.383 2.034 40 0 EEABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000096209254 463212272 /nfs/dbraw/zinc/21/22/72/463212272.db2.gz PVFUHBJSXQZCFU-INIZCTEOSA-N 1 2 339.439 2.293 40 0 EEABLO CCc1nc(C)ncc1C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000096410974 463244158 /nfs/dbraw/zinc/24/41/58/463244158.db2.gz QTXKRNMJPVRISJ-UHFFFAOYSA-N 1 2 339.443 2.483 40 0 EEABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(F)c3F)CC2)S1 ZINC000096443767 463268552 /nfs/dbraw/zinc/26/85/52/463268552.db2.gz FLMYMLMULDYUCZ-SNVBAGLBSA-N 1 2 325.384 2.214 40 0 EEABLO Cc1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2C(C)C)on1 ZINC000072341122 463510219 /nfs/dbraw/zinc/51/02/19/463510219.db2.gz PYOXWLKQPOSBRC-UHFFFAOYSA-N 1 2 331.420 2.308 40 0 EEABLO CCCc1ncc(C[N@@H+]2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000257289124 463762548 /nfs/dbraw/zinc/76/25/48/463762548.db2.gz PXBDAPKRVWIWKB-LJQANCHMSA-N 1 2 346.475 2.079 40 0 EEABLO CCCc1ncc(C[N@H+]2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000257289124 463762552 /nfs/dbraw/zinc/76/25/52/463762552.db2.gz PXBDAPKRVWIWKB-LJQANCHMSA-N 1 2 346.475 2.079 40 0 EEABLO Cc1cnc([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000257329094 463780116 /nfs/dbraw/zinc/78/01/16/463780116.db2.gz XIJHTEFHPLGXEG-GOSISDBHSA-N 1 2 327.384 2.130 40 0 EEABLO Cc1cnc([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000257329094 463780120 /nfs/dbraw/zinc/78/01/20/463780120.db2.gz XIJHTEFHPLGXEG-GOSISDBHSA-N 1 2 327.384 2.130 40 0 EEABLO CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000195563120 464077155 /nfs/dbraw/zinc/07/71/55/464077155.db2.gz RVPHDZDELWQOQM-MJGOQNOKSA-N 1 2 341.455 2.491 40 0 EEABLO CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000195563116 464077686 /nfs/dbraw/zinc/07/76/86/464077686.db2.gz YVDAFHKUYLQJIN-ROUUACIJSA-N 1 2 341.455 2.491 40 0 EEABLO Cc1ccccc1C[NH+]1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O ZINC000248166297 464736499 /nfs/dbraw/zinc/73/64/99/464736499.db2.gz RMZPRHXMWNJGSV-GOSISDBHSA-N 1 2 349.496 2.411 40 0 EEABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](COc3ccccn3)C2)no1 ZINC000306138057 466493700 /nfs/dbraw/zinc/49/37/00/466493700.db2.gz RNWBCOGMVGACAA-MRXNPFEDSA-N 1 2 325.372 2.210 40 0 EEABLO O=C1NCC[N@@H+](C[C@H]2CCOC2)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000582700856 468578357 /nfs/dbraw/zinc/57/83/57/468578357.db2.gz BRPVWZVRNLBOIA-RISCZKNCSA-N 1 2 344.333 2.095 40 0 EEABLO O=C1NCC[N@H+](C[C@H]2CCOC2)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000582700856 468578362 /nfs/dbraw/zinc/57/83/62/468578362.db2.gz BRPVWZVRNLBOIA-RISCZKNCSA-N 1 2 344.333 2.095 40 0 EEABLO c1coc(C[N@H+]2Cc3ccnn3CC[C@H]2COc2cnccn2)c1 ZINC000585096742 468964179 /nfs/dbraw/zinc/96/41/79/468964179.db2.gz BTOVBWBVLFXDTD-HNNXBMFYSA-N 1 2 325.372 2.120 40 0 EEABLO c1coc(C[N@@H+]2Cc3ccnn3CC[C@H]2COc2cnccn2)c1 ZINC000585096742 468964186 /nfs/dbraw/zinc/96/41/86/468964186.db2.gz BTOVBWBVLFXDTD-HNNXBMFYSA-N 1 2 325.372 2.120 40 0 EEABLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[NH+]1CCN(c2nccs2)CC1 ZINC000022243052 212284982 /nfs/dbraw/zinc/28/49/82/212284982.db2.gz WWTNAOAFBZDTRG-RRFJBIMHSA-N 1 2 336.505 2.349 40 0 EEABLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCSc3ccccc3)C[C@@H]21 ZINC000241739162 243000988 /nfs/dbraw/zinc/00/09/88/243000988.db2.gz RANALQKAYCCWGF-IRXDYDNUSA-N 1 2 349.500 2.283 40 0 EEABLO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCSc3ccccc3)C[C@@H]21 ZINC000241739162 243000994 /nfs/dbraw/zinc/00/09/94/243000994.db2.gz RANALQKAYCCWGF-IRXDYDNUSA-N 1 2 349.500 2.283 40 0 EEABLO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2cncc(C)n2)CCO3)n1 ZINC000253601073 244035325 /nfs/dbraw/zinc/03/53/25/244035325.db2.gz IPORAHIRHBJQDH-KRWDZBQOSA-N 1 2 340.427 2.301 40 0 EEABLO CO[C@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC[C@@]12CCCO2 ZINC000257223522 244191912 /nfs/dbraw/zinc/19/19/12/244191912.db2.gz DXSTVQBZAHXAOU-HKUYNNGSSA-N 1 2 343.427 2.141 40 0 EEABLO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2nccc(CNC(C)=O)n2)cn1 ZINC000257230801 244214490 /nfs/dbraw/zinc/21/44/90/244214490.db2.gz GDYXQAXJZVFMFB-QGZVFWFLSA-N 1 2 342.447 2.056 40 0 EEABLO CCCn1cc(C[N@H+]2CCC[C@@H]2c2nccc(CNC(C)=O)n2)cn1 ZINC000257230801 244214492 /nfs/dbraw/zinc/21/44/92/244214492.db2.gz GDYXQAXJZVFMFB-QGZVFWFLSA-N 1 2 342.447 2.056 40 0 EEABLO COc1ccc([C@@H]2CN(Cc3[nH]c[nH+]c3C)CCN2C(C)=O)cc1 ZINC000257244119 244253706 /nfs/dbraw/zinc/25/37/06/244253706.db2.gz IJXYZTFZYBKUQS-SFHVURJKSA-N 1 2 328.416 2.132 40 0 EEABLO O=C(c1ccc2c(c1)CCC2)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257259135 244289594 /nfs/dbraw/zinc/28/95/94/244289594.db2.gz KWZLKCJAFPQTGA-ROUUACIJSA-N 1 2 325.412 2.210 40 0 EEABLO CNc1cccc([C@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257261109 244346409 /nfs/dbraw/zinc/34/64/09/244346409.db2.gz LFTFNNZBZFIHIW-GOSISDBHSA-N 1 2 343.427 2.068 40 0 EEABLO CNc1cccc([C@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257261109 244346415 /nfs/dbraw/zinc/34/64/15/244346415.db2.gz LFTFNNZBZFIHIW-GOSISDBHSA-N 1 2 343.427 2.068 40 0 EEABLO COc1ccc(N2C[C@@H](n3c[nH+]cc3-c3cnn(C)c3)CC2=O)cc1 ZINC000019719480 212057001 /nfs/dbraw/zinc/05/70/01/212057001.db2.gz ZVCGBQDYXPHOAV-HNNXBMFYSA-N 1 2 337.383 2.270 40 0 EEABLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cccc(F)c2C(C)=O)CC1 ZINC000078393932 217046330 /nfs/dbraw/zinc/04/63/30/217046330.db2.gz OQOPUCJFGMUSJA-UHFFFAOYSA-N 1 2 349.450 2.409 40 0 EEABLO CCN(CC)C(=O)C[N@H+]1CCCN(c2cccc(F)c2C(C)=O)CC1 ZINC000078393932 217046332 /nfs/dbraw/zinc/04/63/32/217046332.db2.gz OQOPUCJFGMUSJA-UHFFFAOYSA-N 1 2 349.450 2.409 40 0 EEABLO O=C(C[N@@H+](Cc1cccnc1)C[C@H]1CCCO1)Nc1cccnc1 ZINC000079099723 217193215 /nfs/dbraw/zinc/19/32/15/217193215.db2.gz LDUWCOZVEJFLNS-QGZVFWFLSA-N 1 2 326.400 2.096 40 0 EEABLO O=C(C[N@H+](Cc1cccnc1)C[C@H]1CCCO1)Nc1cccnc1 ZINC000079099723 217193220 /nfs/dbraw/zinc/19/32/20/217193220.db2.gz LDUWCOZVEJFLNS-QGZVFWFLSA-N 1 2 326.400 2.096 40 0 EEABLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000095415736 218354299 /nfs/dbraw/zinc/35/42/99/218354299.db2.gz PLHBVZMDXWEFPX-MRXNPFEDSA-N 1 2 349.442 2.331 40 0 EEABLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000095415736 218354302 /nfs/dbraw/zinc/35/43/02/218354302.db2.gz PLHBVZMDXWEFPX-MRXNPFEDSA-N 1 2 349.442 2.331 40 0 EEABLO O=C1NC[C@@H]2C[N@H+](CCCc3ccccc3Br)CCN12 ZINC000097371936 219016491 /nfs/dbraw/zinc/01/64/91/219016491.db2.gz GNSBBDKYOVTWIZ-CYBMUJFWSA-N 1 2 338.249 2.091 40 0 EEABLO O=C1NC[C@@H]2C[N@@H+](CCCc3ccccc3Br)CCN12 ZINC000097371936 219016493 /nfs/dbraw/zinc/01/64/93/219016493.db2.gz GNSBBDKYOVTWIZ-CYBMUJFWSA-N 1 2 338.249 2.091 40 0 EEABLO O=C(Nc1ccccn1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045184498 462566151 /nfs/dbraw/zinc/56/61/51/462566151.db2.gz VMEAGBPGFUTARK-MRXNPFEDSA-N 1 2 326.400 2.277 40 0 EEABLO CCOc1cc2c(cc1NC(=O)NCCn1cc[nH+]c1)O[C@@H](C)C2 ZINC000076095894 462807433 /nfs/dbraw/zinc/80/74/33/462807433.db2.gz UPJHIEGOZUTGDA-LBPRGKRZSA-N 1 2 330.388 2.427 40 0 EEABLO Cc1[nH]c(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)c[nH+]1 ZINC000077017792 462934049 /nfs/dbraw/zinc/93/40/49/462934049.db2.gz RQLOEDNRBNZTOR-UHFFFAOYSA-N 1 2 349.394 2.320 40 0 EEABLO C[C@@H](C(=O)NCCc1cn(C)c2ccc(Cl)cc12)[NH+]1CCOCC1 ZINC000019080167 463014373 /nfs/dbraw/zinc/01/43/73/463014373.db2.gz XRKFUYMZDMKMEQ-ZDUSSCGKSA-N 1 2 349.862 2.211 40 0 EEABLO Cc1oncc1C(=O)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000096040690 463144836 /nfs/dbraw/zinc/14/48/36/463144836.db2.gz FMQSJECRCGKIQP-LXZKKBNFSA-N 1 2 342.399 2.110 40 0 EEABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cnn(C)c2)cs1 ZINC000096041754 463146146 /nfs/dbraw/zinc/14/61/46/463146146.db2.gz ILEVBMCQFQWXIV-GVDBMIGSSA-N 1 2 348.472 2.134 40 0 EEABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cnn(C)c2)cs1 ZINC000096041754 463146150 /nfs/dbraw/zinc/14/61/50/463146150.db2.gz ILEVBMCQFQWXIV-GVDBMIGSSA-N 1 2 348.472 2.134 40 0 EEABLO CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050211 463153742 /nfs/dbraw/zinc/15/37/42/463153742.db2.gz MYNSTECIPAKSGJ-SFHVURJKSA-N 1 2 342.468 2.066 40 0 EEABLO CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050211 463153747 /nfs/dbraw/zinc/15/37/47/463153747.db2.gz MYNSTECIPAKSGJ-SFHVURJKSA-N 1 2 342.468 2.066 40 0 EEABLO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)no1 ZINC000096109083 463177233 /nfs/dbraw/zinc/17/72/33/463177233.db2.gz NFLNBWFNFMLTST-DYVFJYSZSA-N 1 2 333.363 2.045 40 0 EEABLO Cc1cc(C[N@H+]2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)no1 ZINC000096109083 463177238 /nfs/dbraw/zinc/17/72/38/463177238.db2.gz NFLNBWFNFMLTST-DYVFJYSZSA-N 1 2 333.363 2.045 40 0 EEABLO C[C@H](c1ccccn1)[N@H+](CC(=O)N1CCNC1=O)Cc1ccccc1 ZINC000096497133 463290633 /nfs/dbraw/zinc/29/06/33/463290633.db2.gz GNBSVVCUKZJRAS-OAHLLOKOSA-N 1 2 338.411 2.197 40 0 EEABLO C[C@H](c1ccccn1)[N@@H+](CC(=O)N1CCNC1=O)Cc1ccccc1 ZINC000096497133 463290639 /nfs/dbraw/zinc/29/06/39/463290639.db2.gz GNBSVVCUKZJRAS-OAHLLOKOSA-N 1 2 338.411 2.197 40 0 EEABLO C[C@@H]1SCC[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1c1ccccc1 ZINC000083199069 463539320 /nfs/dbraw/zinc/53/93/20/463539320.db2.gz IHDVKLHDXWFRFI-SWLSCSKDSA-N 1 2 344.488 2.198 40 0 EEABLO C[C@@H]1SCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1c1ccccc1 ZINC000083199069 463539324 /nfs/dbraw/zinc/53/93/24/463539324.db2.gz IHDVKLHDXWFRFI-SWLSCSKDSA-N 1 2 344.488 2.198 40 0 EEABLO O=C(Cn1cc[nH+]c1)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257280399 463759962 /nfs/dbraw/zinc/75/99/62/463759962.db2.gz OKRHKPVGKVDYAZ-MRXNPFEDSA-N 1 2 338.411 2.082 40 0 EEABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(N3CCCC3)nc1)C2 ZINC000225520519 464167937 /nfs/dbraw/zinc/16/79/37/464167937.db2.gz YUVQPNJQAXRADG-HNNXBMFYSA-N 1 2 339.443 2.135 40 0 EEABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(N3CCCC3)nc1)CC2 ZINC000225520519 464167940 /nfs/dbraw/zinc/16/79/40/464167940.db2.gz YUVQPNJQAXRADG-HNNXBMFYSA-N 1 2 339.443 2.135 40 0 EEABLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1nnc(C(F)(F)F)s1 ZINC000263771896 464184401 /nfs/dbraw/zinc/18/44/01/464184401.db2.gz NIBKWXMEXCIKCB-UHFFFAOYSA-N 1 2 346.338 2.411 40 0 EEABLO CC(C)CC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000585095946 468964538 /nfs/dbraw/zinc/96/45/38/468964538.db2.gz FZUXLMJEHDRLSA-OAHLLOKOSA-N 1 2 346.456 2.190 40 0 EEABLO Cc1cccc(OC[C@@]2(O)CCN(C(=O)CCCn3cc[nH+]c3)C2)c1 ZINC000585271696 468998675 /nfs/dbraw/zinc/99/86/75/468998675.db2.gz IOIPKTLHYHZNPF-LJQANCHMSA-N 1 2 343.427 2.014 40 0 EEABLO CO[C@]1(COc2ccccc2C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000585275817 469000361 /nfs/dbraw/zinc/00/03/61/469000361.db2.gz FSPFTEOGOCCKKG-LJQANCHMSA-N 1 2 343.427 2.278 40 0 EEABLO CO[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1Cc1ccc(C)cc1 ZINC000585276281 469000539 /nfs/dbraw/zinc/00/05/39/469000539.db2.gz HRPKXSQCBNUWRP-QZTJIDSGSA-N 1 2 327.428 2.298 40 0 EEABLO CC(C)c1noc(CCC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000131066607 528493633 /nfs/dbraw/zinc/49/36/33/528493633.db2.gz LGLVVJGCOUSVKS-AWEZNQCLSA-N 1 2 343.431 2.306 40 0 EEABLO Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000195574221 241020979 /nfs/dbraw/zinc/02/09/79/241020979.db2.gz DPUCRYONHWLMKA-HNNXBMFYSA-N 1 2 326.400 2.130 40 0 EEABLO CC[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000225726942 242006979 /nfs/dbraw/zinc/00/69/79/242006979.db2.gz XUUCSMHPJFPHRR-JSGCOSHPSA-N 1 2 346.349 2.046 40 0 EEABLO CC[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000225726942 242006981 /nfs/dbraw/zinc/00/69/81/242006981.db2.gz XUUCSMHPJFPHRR-JSGCOSHPSA-N 1 2 346.349 2.046 40 0 EEABLO CC(C)(C)n1cc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cn1 ZINC000449599579 242572803 /nfs/dbraw/zinc/57/28/03/242572803.db2.gz HAUIPPWRSLNTLI-ZDUSSCGKSA-N 1 2 328.407 2.374 40 0 EEABLO CC(C)(C)n1cc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cn1 ZINC000449599579 242572808 /nfs/dbraw/zinc/57/28/08/242572808.db2.gz HAUIPPWRSLNTLI-ZDUSSCGKSA-N 1 2 328.407 2.374 40 0 EEABLO CNc1cc([C@@H]2CCCN(C(=O)CCn3ccc(C)n3)C2)cc[nH+]1 ZINC000257205328 244134684 /nfs/dbraw/zinc/13/46/84/244134684.db2.gz AYNLDCULRUBYDP-MRXNPFEDSA-N 1 2 327.432 2.425 40 0 EEABLO CC(=O)N1CCC(Cc2nc(C)cc(-c3c[nH+]c(C)n3C)n2)CC1 ZINC000257232253 244215937 /nfs/dbraw/zinc/21/59/37/244215937.db2.gz GJZMJJYAOJXUPG-UHFFFAOYSA-N 1 2 327.432 2.295 40 0 EEABLO CNC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257250116 244265435 /nfs/dbraw/zinc/26/54/35/244265435.db2.gz JLCBNHZAXDPATI-ZDUSSCGKSA-N 1 2 344.390 2.333 40 0 EEABLO CNC(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257250116 244265438 /nfs/dbraw/zinc/26/54/38/244265438.db2.gz JLCBNHZAXDPATI-ZDUSSCGKSA-N 1 2 344.390 2.333 40 0 EEABLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1C(=O)c1ccccc1 ZINC000015676516 284198230 /nfs/dbraw/zinc/19/82/30/284198230.db2.gz VQDCBLVZBMAKOX-HNNXBMFYSA-N 1 2 327.384 2.204 40 0 biogenic,in-vitro EEABLO O=C1[C@@H](N2CC[NH+](Cc3cccnc3)CC2)CCN1c1ccccc1 ZINC000079035277 217178682 /nfs/dbraw/zinc/17/86/82/217178682.db2.gz ORJGKEYQKAMNAH-IBGZPJMESA-N 1 2 336.439 2.005 40 0 EEABLO C=Cn1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122795 211300248 /nfs/dbraw/zinc/30/02/48/211300248.db2.gz YCJVOMFRDKVADN-UHFFFAOYSA-N 1 2 348.410 2.408 40 0 EEABLO C=Cn1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122795 211300250 /nfs/dbraw/zinc/30/02/50/211300250.db2.gz YCJVOMFRDKVADN-UHFFFAOYSA-N 1 2 348.410 2.408 40 0 EEABLO Cc1cc(NCCCn2cc[nH+]c2)n2nc(-c3nccn3C)cc2n1 ZINC000012087618 211288275 /nfs/dbraw/zinc/28/82/75/211288275.db2.gz FLWHPJNCHYYTDU-UHFFFAOYSA-N 1 2 336.403 2.137 40 0 EEABLO C[C@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096462592 218844820 /nfs/dbraw/zinc/84/48/20/218844820.db2.gz JPELHHKBEVUSGR-WMLDXEAASA-N 1 2 349.456 2.422 40 0 EEABLO Cc1ccc(CCNC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000097376459 219019291 /nfs/dbraw/zinc/01/92/91/219019291.db2.gz JHICARPASKFQPM-UHFFFAOYSA-N 1 2 339.443 2.168 40 0 EEABLO COc1ccc([C@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)cc1OC ZINC000095533790 257701130 /nfs/dbraw/zinc/70/11/30/257701130.db2.gz ZKIWJLDJYUHCQT-KRWDZBQOSA-N 1 2 340.383 2.449 40 0 EEABLO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257322410 302317501 /nfs/dbraw/zinc/31/75/01/302317501.db2.gz WFWANWXZFIWVED-INIZCTEOSA-N 1 2 326.448 2.456 40 0 EEABLO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257322410 302317504 /nfs/dbraw/zinc/31/75/04/302317504.db2.gz WFWANWXZFIWVED-INIZCTEOSA-N 1 2 326.448 2.456 40 0 EEABLO COc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)nn1 ZINC000087256435 462599187 /nfs/dbraw/zinc/59/91/87/462599187.db2.gz PBHPQUKYAGHCBO-AEFFLSMTSA-N 1 2 349.394 2.340 40 0 EEABLO O=C(CCn1cc[nH+]c1)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012086978 462842189 /nfs/dbraw/zinc/84/21/89/462842189.db2.gz TUOZVMMBKVFCFH-INIZCTEOSA-N 1 2 341.411 2.462 40 0 EEABLO Cc1cccc(COC[C@H]2CN(C(=O)C3CC3)Cc3[nH+]cn(C)c32)n1 ZINC000096045045 463149254 /nfs/dbraw/zinc/14/92/54/463149254.db2.gz VXSURAFUGPOLFB-OAHLLOKOSA-N 1 2 340.427 2.176 40 0 EEABLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H](C(N)=O)O1 ZINC000097230934 463350834 /nfs/dbraw/zinc/35/08/34/463350834.db2.gz ACIRGZFKKDDIIZ-MLGOLLRUSA-N 1 2 337.851 2.015 40 0 EEABLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H](C(N)=O)O1 ZINC000097230934 463350839 /nfs/dbraw/zinc/35/08/39/463350839.db2.gz ACIRGZFKKDDIIZ-MLGOLLRUSA-N 1 2 337.851 2.015 40 0 EEABLO O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@H](O)c1ccccc1 ZINC000083006300 463528212 /nfs/dbraw/zinc/52/82/12/463528212.db2.gz MHXUZOJTMLIPRD-LJQANCHMSA-N 1 2 335.407 2.476 40 0 EEABLO CNc1cc([C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)cc[nH+]1 ZINC000257320173 463776607 /nfs/dbraw/zinc/77/66/07/463776607.db2.gz VVQJTPNJMKSRAX-MRXNPFEDSA-N 1 2 344.459 2.232 40 0 EEABLO Cc1cc([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CCO2)ccn1 ZINC000257326965 463779618 /nfs/dbraw/zinc/77/96/18/463779618.db2.gz WZHDTXIILSZLJS-KRWDZBQOSA-N 1 2 349.394 2.184 40 0 EEABLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)ccc2C)nc[nH+]1 ZINC000173430755 464259488 /nfs/dbraw/zinc/25/94/88/464259488.db2.gz RIBRISHHHANHSG-AWEZNQCLSA-N 1 2 343.406 2.365 40 0 EEABLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)ccc2C)[nH+]cn1 ZINC000173430755 464259494 /nfs/dbraw/zinc/25/94/94/464259494.db2.gz RIBRISHHHANHSG-AWEZNQCLSA-N 1 2 343.406 2.365 40 0 EEABLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000249261802 464855219 /nfs/dbraw/zinc/85/52/19/464855219.db2.gz HYVKEZKPYXPJFO-NWDGAFQWSA-N 1 2 332.477 2.486 40 0 EEABLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000249261802 464855227 /nfs/dbraw/zinc/85/52/27/464855227.db2.gz HYVKEZKPYXPJFO-NWDGAFQWSA-N 1 2 332.477 2.486 40 0 EEABLO CCc1nsc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000252581601 464983648 /nfs/dbraw/zinc/98/36/48/464983648.db2.gz CELNVGXUZIFKKU-GJZGRUSLSA-N 1 2 330.457 2.190 40 0 EEABLO CCc1nsc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000252581601 464983652 /nfs/dbraw/zinc/98/36/52/464983652.db2.gz CELNVGXUZIFKKU-GJZGRUSLSA-N 1 2 330.457 2.190 40 0 EEABLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@H]21 ZINC000253418296 465006217 /nfs/dbraw/zinc/00/62/17/465006217.db2.gz GEIQWNFGFPQSCJ-GHMZBOCLSA-N 1 2 344.337 2.037 40 0 EEABLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)C[C@H]21 ZINC000253418296 465006220 /nfs/dbraw/zinc/00/62/20/465006220.db2.gz GEIQWNFGFPQSCJ-GHMZBOCLSA-N 1 2 344.337 2.037 40 0 EEABLO Cc1c2ccccc2oc1C(=O)N1Cc2[nH+]cn(C)c2C[C@H]1CO ZINC000585094998 468964269 /nfs/dbraw/zinc/96/42/69/468964269.db2.gz YQEBBSBSSKHXEW-LBPRGKRZSA-N 1 2 325.368 2.034 40 0 EEABLO CCn1cncc1C[N@@H+]1CCOC[C@@](COc2ccccc2)(OC)C1 ZINC000585275459 468999608 /nfs/dbraw/zinc/99/96/08/468999608.db2.gz FBOKOAWNTLHPHN-IBGZPJMESA-N 1 2 345.443 2.199 40 0 EEABLO CCn1cncc1C[N@H+]1CCOC[C@@](COc2ccccc2)(OC)C1 ZINC000585275459 468999616 /nfs/dbraw/zinc/99/96/16/468999616.db2.gz FBOKOAWNTLHPHN-IBGZPJMESA-N 1 2 345.443 2.199 40 0 EEABLO CCC(=O)N1CCC[C@H](Cc2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257220448 535305738 /nfs/dbraw/zinc/30/57/38/535305738.db2.gz DKWIQOLITLPDBZ-CQSZACIVSA-N 1 2 327.432 2.377 40 0 EEABLO COCCNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)cc1 ZINC000008105408 1352026981 /nfs/dbraw/zinc/02/69/81/1352026981.db2.gz FRNSIAOEBCQIDD-IBGZPJMESA-N 1 2 340.423 2.082 40 0 EEABLO COCCNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)cc1 ZINC000008105408 1352026987 /nfs/dbraw/zinc/02/69/87/1352026987.db2.gz FRNSIAOEBCQIDD-IBGZPJMESA-N 1 2 340.423 2.082 40 0 EEABLO C[NH+]1CCN(C(=O)CSc2nccc(-c3ccccc3)n2)CC1 ZINC000035183044 213012730 /nfs/dbraw/zinc/01/27/30/213012730.db2.gz GJHSGJCDHVLELM-UHFFFAOYSA-N 1 2 328.441 2.010 40 0 EEABLO CC(C)COCC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000225723347 242005631 /nfs/dbraw/zinc/00/56/31/242005631.db2.gz CNQLOXUXATWNKQ-UHFFFAOYSA-N 1 2 338.399 2.352 40 0 EEABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](CNc2ncccn2)CO3)o1 ZINC000248122082 243530494 /nfs/dbraw/zinc/53/04/94/243530494.db2.gz VLIWEKNCABRVPQ-HNNXBMFYSA-N 1 2 328.416 2.471 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)CC[N@@H+]1C ZINC000257201457 244120918 /nfs/dbraw/zinc/12/09/18/244120918.db2.gz AHUOHYYETTVNLQ-INIZCTEOSA-N 1 2 341.411 2.233 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)CC[N@H+]1C ZINC000257201457 244120924 /nfs/dbraw/zinc/12/09/24/244120924.db2.gz AHUOHYYETTVNLQ-INIZCTEOSA-N 1 2 341.411 2.233 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCn3ncc4ccccc43)C2)[nH+]1 ZINC000257201192 244121396 /nfs/dbraw/zinc/12/13/96/244121396.db2.gz AGSHWMIYADBPOF-INIZCTEOSA-N 1 2 337.427 2.484 40 0 EEABLO COc1ccccc1[C@H]1C[N@H+](Cc2ccnc(C)n2)CCN1C(C)=O ZINC000257215121 244162284 /nfs/dbraw/zinc/16/22/84/244162284.db2.gz COUGSPDYMMNSDF-GOSISDBHSA-N 1 2 340.427 2.199 40 0 EEABLO COc1ccccc1[C@H]1C[N@@H+](Cc2ccnc(C)n2)CCN1C(C)=O ZINC000257215121 244162291 /nfs/dbraw/zinc/16/22/91/244162291.db2.gz COUGSPDYMMNSDF-GOSISDBHSA-N 1 2 340.427 2.199 40 0 EEABLO O=C(Nc1ccc2c(c1)OCO2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020048427 212097843 /nfs/dbraw/zinc/09/78/43/212097843.db2.gz HZZUNJMLMCAEFF-UHFFFAOYSA-N 1 2 340.379 2.500 40 0 EEABLO Cc1cc(N2CCC[C@H](Cc3cncc(-c4cncn4C)n3)C2)nc[nH+]1 ZINC000257267035 244364041 /nfs/dbraw/zinc/36/40/41/244364041.db2.gz MFRSPVRNHWIDIW-OAHLLOKOSA-N 1 2 349.442 2.435 40 0 EEABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)CC1CCCC1)CC2 ZINC000019706483 212055678 /nfs/dbraw/zinc/05/56/78/212055678.db2.gz MPZAMSUUZGJYJU-OAHLLOKOSA-N 1 2 331.464 2.010 40 0 EEABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)CC1CCCC1)CC2 ZINC000019706483 212055681 /nfs/dbraw/zinc/05/56/81/212055681.db2.gz MPZAMSUUZGJYJU-OAHLLOKOSA-N 1 2 331.464 2.010 40 0 EEABLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000079352910 217213702 /nfs/dbraw/zinc/21/37/02/217213702.db2.gz KHDGALARSOGWFB-OAHLLOKOSA-N 1 2 339.443 2.062 40 0 EEABLO CC(=O)c1csc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000097376539 219019413 /nfs/dbraw/zinc/01/94/13/219019413.db2.gz SSCIJPHKZNEMKE-UHFFFAOYSA-N 1 2 330.413 2.012 40 0 EEABLO C[C@]12CC[C@H]3[C@@H](C[C@H]([NH+]4CC4)[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O ZINC000118922979 221204575 /nfs/dbraw/zinc/20/45/75/221204575.db2.gz DLLYIRQRNHFLFN-FRCIZUGGSA-N 1 2 347.499 2.368 40 0 EEABLO O=C(COc1ccccc1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031315 462951447 /nfs/dbraw/zinc/95/14/47/462951447.db2.gz LODHXGNRNXXFIO-INIZCTEOSA-N 1 2 346.452 2.005 40 0 EEABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3[nH]cc[nH+]3)n2)c1 ZINC000015674412 462960222 /nfs/dbraw/zinc/96/02/22/462960222.db2.gz PGKNEJHNYMEMKA-KGLIPLIRSA-N 1 2 325.372 2.076 40 0 biogenic,in-vitro EEABLO O=S(=O)(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cccc(F)c1 ZINC000078515391 463123392 /nfs/dbraw/zinc/12/33/92/463123392.db2.gz QBIVJEIXUCVNIL-AWEZNQCLSA-N 1 2 335.404 2.168 40 0 EEABLO c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)c1 ZINC000096041722 463146358 /nfs/dbraw/zinc/14/63/58/463146358.db2.gz URSOFHVDPNJFNG-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)c1 ZINC000096041722 463146362 /nfs/dbraw/zinc/14/63/62/463146362.db2.gz URSOFHVDPNJFNG-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO Cc1occc1C(=O)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062483 463163398 /nfs/dbraw/zinc/16/33/98/463163398.db2.gz ODMPPZLKRMPTBG-LJQANCHMSA-N 1 2 341.411 2.352 40 0 EEABLO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)N1Cc1cccnc1 ZINC000096186344 463197873 /nfs/dbraw/zinc/19/78/73/463197873.db2.gz ILQGFBIYOUTONR-GJZGRUSLSA-N 1 2 328.441 2.304 40 0 EEABLO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)N1Cc1cccnc1 ZINC000096186344 463197875 /nfs/dbraw/zinc/19/78/75/463197875.db2.gz ILQGFBIYOUTONR-GJZGRUSLSA-N 1 2 328.441 2.304 40 0 EEABLO c1csc(CN2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096202245 463206940 /nfs/dbraw/zinc/20/69/40/463206940.db2.gz HLSLBECGMWSPCQ-KRWDZBQOSA-N 1 2 330.457 2.267 40 0 EEABLO O=C(CC1CC1)N1Cc2c[nH+]cn2C[C@H](COCc2ccncc2)C1 ZINC000096206556 463208585 /nfs/dbraw/zinc/20/85/85/463208585.db2.gz IZBWAKHMKFHIHM-QGZVFWFLSA-N 1 2 340.427 2.253 40 0 EEABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)C4=CCCC4)C[C@@H]3C2)cs1 ZINC000096208588 463212458 /nfs/dbraw/zinc/21/24/58/463212458.db2.gz ZERSPQPHKGUXDH-DOTOQJQBSA-N 1 2 347.484 2.221 40 0 EEABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)C4=CCCC4)C[C@@H]3C2)cs1 ZINC000096208588 463212465 /nfs/dbraw/zinc/21/24/65/463212465.db2.gz ZERSPQPHKGUXDH-DOTOQJQBSA-N 1 2 347.484 2.221 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccncc1)c1ccco1 ZINC000096250310 463226953 /nfs/dbraw/zinc/22/69/53/463226953.db2.gz FEMMUBDUJPRRRE-XYJFISCASA-N 1 2 341.411 2.084 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccncc1)c1ccco1 ZINC000096250310 463226954 /nfs/dbraw/zinc/22/69/54/463226954.db2.gz FEMMUBDUJPRRRE-XYJFISCASA-N 1 2 341.411 2.084 40 0 EEABLO Cc1n[nH]c(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000096410035 463242778 /nfs/dbraw/zinc/24/27/78/463242778.db2.gz KFVYNYVYLQDVKN-CQSZACIVSA-N 1 2 345.422 2.315 40 0 EEABLO C[S@](=O)c1cccc(NC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000096410691 463244239 /nfs/dbraw/zinc/24/42/39/463244239.db2.gz NGOFBNMFVLAKRM-XMMPIXPASA-N 1 2 342.424 2.436 40 0 EEABLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000096426837 463256181 /nfs/dbraw/zinc/25/61/81/463256181.db2.gz IOJRAZMELMYPOZ-GFCCVEGCSA-N 1 2 346.818 2.355 40 0 EEABLO C[C@H](NS(=O)(=O)c1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096428717 463258418 /nfs/dbraw/zinc/25/84/18/463258418.db2.gz WOIANEFRVXGTET-ZDUSSCGKSA-N 1 2 328.397 2.307 40 0 EEABLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cn1 ZINC000096433463 463261907 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ZINC000107717725 463579841 /nfs/dbraw/zinc/57/98/41/463579841.db2.gz BHRQXKPFNYGYHR-CGTJXYLNSA-N 1 2 347.459 2.221 40 0 EEABLO CC(=O)N1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000257318131 463774810 /nfs/dbraw/zinc/77/48/10/463774810.db2.gz VMPRQDUDHUGKSP-GOSISDBHSA-N 1 2 340.427 2.095 40 0 EEABLO C[N@H+](C[C@H]1CCCCO1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000195547385 464074172 /nfs/dbraw/zinc/07/41/72/464074172.db2.gz WJWRUEHCUVIAMN-ZIAGYGMSSA-N 1 2 341.249 2.476 40 0 EEABLO C[N@@H+](C[C@H]1CCCCO1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000195547385 464074175 /nfs/dbraw/zinc/07/41/75/464074175.db2.gz WJWRUEHCUVIAMN-ZIAGYGMSSA-N 1 2 341.249 2.476 40 0 EEABLO COc1ccccc1CCN(C)c1cc(N2CCOCC2)nc[nH+]1 ZINC000225478134 464163646 /nfs/dbraw/zinc/16/36/46/464163646.db2.gz BDLDJNABPWXCMJ-UHFFFAOYSA-N 1 2 328.416 2.001 40 0 EEABLO COc1ccccc1CCN(C)c1cc(N2CCOCC2)[nH+]cn1 ZINC000225478134 464163654 /nfs/dbraw/zinc/16/36/54/464163654.db2.gz BDLDJNABPWXCMJ-UHFFFAOYSA-N 1 2 328.416 2.001 40 0 EEABLO O=C1[C@H]([N@H+](CCO)Cc2cccnc2)CCN1c1ccccc1Cl ZINC000241470690 464453142 /nfs/dbraw/zinc/45/31/42/464453142.db2.gz NXAVVXLCZDLZDT-QGZVFWFLSA-N 1 2 345.830 2.335 40 0 EEABLO O=C1[C@H]([N@@H+](CCO)Cc2cccnc2)CCN1c1ccccc1Cl ZINC000241470690 464453147 /nfs/dbraw/zinc/45/31/47/464453147.db2.gz NXAVVXLCZDLZDT-QGZVFWFLSA-N 1 2 345.830 2.335 40 0 EEABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)CC1Cc2ccccc2C1 ZINC000585094836 468963532 /nfs/dbraw/zinc/96/35/32/468963532.db2.gz OYNPIECXMMNLSC-QGZVFWFLSA-N 1 2 339.439 2.125 40 0 EEABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1c(C)noc1C)[C@@H]2C ZINC000585098667 468967774 /nfs/dbraw/zinc/96/77/74/468967774.db2.gz WMBUBJDBFHEBAU-GFCCVEGCSA-N 1 2 332.404 2.284 40 0 EEABLO Fc1ccccc1-n1ccc(Cn2cc[nH+]c2CN2CCOCC2)n1 ZINC000585141452 468990361 /nfs/dbraw/zinc/99/03/61/468990361.db2.gz WBRXDOHEXSJYPJ-UHFFFAOYSA-N 1 2 341.390 2.088 40 0 EEABLO Cc1ccccc1OC[C@]1(O)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000585276907 469001958 /nfs/dbraw/zinc/00/19/58/469001958.db2.gz PXQHOGCVDXBZAB-IBGZPJMESA-N 1 2 343.427 2.014 40 0 EEABLO Cc1ccc(C[C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)C[C@H]2O)cc1 ZINC000585288984 469009970 /nfs/dbraw/zinc/00/99/70/469009970.db2.gz MATNVKWOAKVUHP-WXYTYNPNSA-N 1 2 325.412 2.183 40 0 EEABLO CC(=O)c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000131393725 527314240 /nfs/dbraw/zinc/31/42/40/527314240.db2.gz RLZSSAGAAQKASV-QGZVFWFLSA-N 1 2 339.395 2.124 40 0 EEABLO CC(=O)c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000131393725 527314245 /nfs/dbraw/zinc/31/42/45/527314245.db2.gz RLZSSAGAAQKASV-QGZVFWFLSA-N 1 2 339.395 2.124 40 0 EEABLO CC(C)(C)C(=O)NC1CC[NH+](Cc2nnnn2C2CCCCC2)CC1 ZINC000035313260 213021222 /nfs/dbraw/zinc/02/12/22/213021222.db2.gz WJBPVLAXDYQVPS-UHFFFAOYSA-N 1 2 348.495 2.305 40 0 EEABLO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@@H+]2CCOC)nc1C ZINC000072346286 216159899 /nfs/dbraw/zinc/15/98/99/216159899.db2.gz BUPBPBPXFYEPMV-MRXNPFEDSA-N 1 2 334.464 2.440 40 0 EEABLO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@H+]2CCOC)nc1C ZINC000072346286 216159900 /nfs/dbraw/zinc/15/99/00/216159900.db2.gz BUPBPBPXFYEPMV-MRXNPFEDSA-N 1 2 334.464 2.440 40 0 EEABLO CNC(=O)CCc1cccc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072382855 216183983 /nfs/dbraw/zinc/18/39/83/216183983.db2.gz MOTCIRNUFPXWRO-INIZCTEOSA-N 1 2 325.416 2.200 40 0 EEABLO CNc1cc([C@H]2CCCN(C(=O)CCn3ccc(C)n3)C2)cc[nH+]1 ZINC000257205327 244133116 /nfs/dbraw/zinc/13/31/16/244133116.db2.gz AYNLDCULRUBYDP-INIZCTEOSA-N 1 2 327.432 2.425 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(Cc3csc(C)n3)CC[N@@H+]2C)c1 ZINC000257217653 244175032 /nfs/dbraw/zinc/17/50/32/244175032.db2.gz CZYPMEAQJWNGJX-KRWDZBQOSA-N 1 2 344.484 2.300 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(Cc3csc(C)n3)CC[N@H+]2C)c1 ZINC000257217653 244175039 /nfs/dbraw/zinc/17/50/39/244175039.db2.gz CZYPMEAQJWNGJX-KRWDZBQOSA-N 1 2 344.484 2.300 40 0 EEABLO Cc1nc([C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)cc(=O)[nH]1 ZINC000257251948 244269784 /nfs/dbraw/zinc/26/97/84/244269784.db2.gz JSYUTENBWGIZHL-SFHVURJKSA-N 1 2 339.395 2.340 40 0 EEABLO Cc1nc([C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)cc(=O)[nH]1 ZINC000257251948 244269790 /nfs/dbraw/zinc/26/97/90/244269790.db2.gz JSYUTENBWGIZHL-SFHVURJKSA-N 1 2 339.395 2.340 40 0 EEABLO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257258406 244289723 /nfs/dbraw/zinc/28/97/23/244289723.db2.gz KTSPDJXVSJHAGG-OAHLLOKOSA-N 1 2 331.441 2.178 40 0 EEABLO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257258406 244289728 /nfs/dbraw/zinc/28/97/28/244289728.db2.gz KTSPDJXVSJHAGG-OAHLLOKOSA-N 1 2 331.441 2.178 40 0 EEABLO CCCn1nnnc1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000078776799 217119722 /nfs/dbraw/zinc/11/97/22/217119722.db2.gz UIOYZYMFCZQVJX-ZDUSSCGKSA-N 1 2 325.420 2.339 40 0 EEABLO CCCn1nnnc1C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000078776799 217119726 /nfs/dbraw/zinc/11/97/26/217119726.db2.gz UIOYZYMFCZQVJX-ZDUSSCGKSA-N 1 2 325.420 2.339 40 0 EEABLO Cc1cnc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000095449224 218393098 /nfs/dbraw/zinc/39/30/98/218393098.db2.gz AJKAQYIBVNBQHI-GOEBONIOSA-N 1 2 332.354 2.238 40 0 EEABLO Cc1cnc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000095449224 218393100 /nfs/dbraw/zinc/39/31/00/218393100.db2.gz AJKAQYIBVNBQHI-GOEBONIOSA-N 1 2 332.354 2.238 40 0 EEABLO CC(C)CCn1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000089271946 278801882 /nfs/dbraw/zinc/80/18/82/278801882.db2.gz QYYHLPCXILUNDL-INIZCTEOSA-N 1 2 349.479 2.258 40 0 EEABLO O=C(c1ccoc1)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096187967 280222487 /nfs/dbraw/zinc/22/24/87/280222487.db2.gz HMJQIGKLEDAOHI-AWEZNQCLSA-N 1 2 338.367 2.222 40 0 EEABLO Cc1cc(CC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)no1 ZINC000074421278 462597183 /nfs/dbraw/zinc/59/71/83/462597183.db2.gz WVMMITLVPINIPC-INIZCTEOSA-N 1 2 328.347 2.304 40 0 EEABLO COC[C@@H]1CN(C(=O)c2cccnc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045076 463148777 /nfs/dbraw/zinc/14/87/77/463148777.db2.gz WCWUGUZWVHTBCP-HNNXBMFYSA-N 1 2 326.400 2.074 40 0 EEABLO Cc1cccc(C(=O)N2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)n1 ZINC000096048581 463152282 /nfs/dbraw/zinc/15/22/82/463152282.db2.gz UCAFMCPZAWXRAN-CRAIPNDOSA-N 1 2 326.400 2.223 40 0 EEABLO CCn1cc2c(n1)C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@H]2COC ZINC000096068686 463165924 /nfs/dbraw/zinc/16/59/24/463165924.db2.gz IIPUGAUWWAJUNE-AWEZNQCLSA-N 1 2 329.400 2.378 40 0 EEABLO CCn1cc2c(n1)C[N@H+](Cc1ccc3c(c1)OCO3)C[C@H]2COC ZINC000096068686 463165926 /nfs/dbraw/zinc/16/59/26/463165926.db2.gz IIPUGAUWWAJUNE-AWEZNQCLSA-N 1 2 329.400 2.378 40 0 EEABLO O=C(c1cscn1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187899 463198843 /nfs/dbraw/zinc/19/88/43/463198843.db2.gz QIVHJXHKRHYPBL-ZDUSSCGKSA-N 1 2 332.429 2.038 40 0 EEABLO C[C@]1(C(=O)NCCCn2cc[nH+]c2)CC(c2ccccc2F)=NO1 ZINC000096192679 463201940 /nfs/dbraw/zinc/20/19/40/463201940.db2.gz UDULTCJDYXJAIM-QGZVFWFLSA-N 1 2 330.363 2.112 40 0 EEABLO Cc1ccsc1C(=O)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196963 463202718 /nfs/dbraw/zinc/20/27/18/463202718.db2.gz WCQFVVWBDVZYEW-UHFFFAOYSA-N 1 2 341.440 2.196 40 0 EEABLO COCCN1CCN(C(=O)c2cccc(F)c2)Cc2ccc[nH+]c21 ZINC000096198859 463204608 /nfs/dbraw/zinc/20/46/08/463204608.db2.gz SAEBOSQXECNGSQ-UHFFFAOYSA-N 1 2 329.375 2.330 40 0 EEABLO O=C(c1ccncc1F)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198928 463204655 /nfs/dbraw/zinc/20/46/55/463204655.db2.gz XPRWOQGRQUVONF-UHFFFAOYSA-N 1 2 326.375 2.488 40 0 EEABLO Cc1ccc(C[NH+]2CC3(C2)CCN(S(=O)(=O)c2ccccc2)C3)o1 ZINC000096202420 463208109 /nfs/dbraw/zinc/20/81/09/463208109.db2.gz LWVSMUYDANLRJS-UHFFFAOYSA-N 1 2 346.452 2.485 40 0 EEABLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NC[C@@H]2CCCO2)s1 ZINC000096424732 463254975 /nfs/dbraw/zinc/25/49/75/463254975.db2.gz BQXRPILHIHOGTB-OLZOCXBDSA-N 1 2 325.478 2.302 40 0 EEABLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC[C@@H]2CCCO2)s1 ZINC000096424732 463254978 /nfs/dbraw/zinc/25/49/78/463254978.db2.gz BQXRPILHIHOGTB-OLZOCXBDSA-N 1 2 325.478 2.302 40 0 EEABLO C[N@H+](CCCN1CCOCC1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000096443338 463268916 /nfs/dbraw/zinc/26/89/16/463268916.db2.gz TVRRGTAMYRHMMG-GOSISDBHSA-N 1 2 344.434 2.359 40 0 EEABLO C[N@@H+](CCCN1CCOCC1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000096443338 463268922 /nfs/dbraw/zinc/26/89/22/463268922.db2.gz TVRRGTAMYRHMMG-GOSISDBHSA-N 1 2 344.434 2.359 40 0 EEABLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2noc3c2CCCC3)c1 ZINC000096491460 463286674 /nfs/dbraw/zinc/28/66/74/463286674.db2.gz JCEZDBSUPCPYKQ-LBPRGKRZSA-N 1 2 349.456 2.312 40 0 EEABLO C[N@@H+]1CCc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2C1 ZINC000040161666 463454061 /nfs/dbraw/zinc/45/40/61/463454061.db2.gz UPSGSDJBURCFQC-UHFFFAOYSA-N 1 2 341.392 2.490 40 0 EEABLO C[N@H+]1CCc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2C1 ZINC000040161666 463454066 /nfs/dbraw/zinc/45/40/66/463454066.db2.gz UPSGSDJBURCFQC-UHFFFAOYSA-N 1 2 341.392 2.490 40 0 EEABLO Cn1cc(/C=C/C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000044868427 463697236 /nfs/dbraw/zinc/69/72/36/463697236.db2.gz WCCAHDDHVQUDJQ-QPJJXVBHSA-N 1 2 344.846 2.431 40 0 EEABLO Cc1cc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)nc(C)n1 ZINC000257228296 463756107 /nfs/dbraw/zinc/75/61/07/463756107.db2.gz FTIGTXQKRKIRQX-IBGZPJMESA-N 1 2 341.411 2.438 40 0 EEABLO Cc1cc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)nc(C)n1 ZINC000257228296 463756112 /nfs/dbraw/zinc/75/61/12/463756112.db2.gz FTIGTXQKRKIRQX-IBGZPJMESA-N 1 2 341.411 2.438 40 0 EEABLO COc1cccc([C@@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2cc[nH]n2)c1 ZINC000257237394 463757438 /nfs/dbraw/zinc/75/74/38/463757438.db2.gz HGGPDDWYUGKLPS-INIZCTEOSA-N 1 2 337.383 2.321 40 0 EEABLO COc1cccc([C@@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2ccn[nH]2)c1 ZINC000257237394 463757443 /nfs/dbraw/zinc/75/74/43/463757443.db2.gz HGGPDDWYUGKLPS-INIZCTEOSA-N 1 2 337.383 2.321 40 0 EEABLO Cc1ccn(CCC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257328158 463779367 /nfs/dbraw/zinc/77/93/67/463779367.db2.gz XEKQSNHHALRTIS-MRXNPFEDSA-N 1 2 327.432 2.104 40 0 EEABLO COc1ccc(CCNc2cc(N3CCOCC3)nc[nH+]2)c(F)c1 ZINC000225490640 464164843 /nfs/dbraw/zinc/16/48/43/464164843.db2.gz LGTRXJCYOUQLMF-UHFFFAOYSA-N 1 2 332.379 2.116 40 0 EEABLO COc1ccc(CCNc2cc(N3CCOCC3)[nH+]cn2)c(F)c1 ZINC000225490640 464164848 /nfs/dbraw/zinc/16/48/48/464164848.db2.gz LGTRXJCYOUQLMF-UHFFFAOYSA-N 1 2 332.379 2.116 40 0 EEABLO Cc1noc(C)c1CO[C@@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000225485678 464165317 /nfs/dbraw/zinc/16/53/17/464165317.db2.gz FLULPMQFSNKFLO-OAHLLOKOSA-N 1 2 343.431 2.477 40 0 EEABLO Cc1noc(C)c1CO[C@@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000225485678 464165321 /nfs/dbraw/zinc/16/53/21/464165321.db2.gz FLULPMQFSNKFLO-OAHLLOKOSA-N 1 2 343.431 2.477 40 0 EEABLO COCCN(C[C@@H]1CC=CCC1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000225492206 464166195 /nfs/dbraw/zinc/16/61/95/464166195.db2.gz WGDOSDBVUXSULY-MRXNPFEDSA-N 1 2 332.448 2.122 40 0 EEABLO COCCN(C[C@@H]1CC=CCC1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000225492206 464166201 /nfs/dbraw/zinc/16/62/01/464166201.db2.gz WGDOSDBVUXSULY-MRXNPFEDSA-N 1 2 332.448 2.122 40 0 EEABLO O=C(Nc1cccc(-n2ccnn2)c1)C1CC[NH+](CC(F)F)CC1 ZINC000281257136 464389566 /nfs/dbraw/zinc/38/95/66/464389566.db2.gz OTWRFTXBZJFZNI-UHFFFAOYSA-N 1 2 335.358 2.183 40 0 EEABLO Fc1cnc(N2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)nc1 ZINC000247532383 464692172 /nfs/dbraw/zinc/69/21/72/464692172.db2.gz PDOODYKWFGVFDX-ZDUSSCGKSA-N 1 2 329.379 2.108 40 0 EEABLO Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)no1 ZINC000247919997 464714614 /nfs/dbraw/zinc/71/46/14/464714614.db2.gz NRANNBXQGJWLKA-HNNXBMFYSA-N 1 2 328.416 2.471 40 0 EEABLO CN(C)c1cc(N2CC3(C2)C[C@@H](Oc2cccnc2)CS3)nc[nH+]1 ZINC000248113608 464730771 /nfs/dbraw/zinc/73/07/71/464730771.db2.gz LABXEINKDDPWTN-CQSZACIVSA-N 1 2 343.456 2.081 40 0 EEABLO CN(C)c1cc(N2CC3(C2)C[C@@H](Oc2cccnc2)CS3)[nH+]cn1 ZINC000248113608 464730777 /nfs/dbraw/zinc/73/07/77/464730777.db2.gz LABXEINKDDPWTN-CQSZACIVSA-N 1 2 343.456 2.081 40 0 EEABLO CCc1nnc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000192156907 464877233 /nfs/dbraw/zinc/87/72/33/464877233.db2.gz 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Cc1ccc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COc2ncccn2)o1 ZINC000585095022 468964741 /nfs/dbraw/zinc/96/47/41/468964741.db2.gz ZZLPANWMGGJHDD-CQSZACIVSA-N 1 2 339.399 2.117 40 0 EEABLO Cc1cc(Oc2ccccc2)nc([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072361830 216168667 /nfs/dbraw/zinc/16/86/67/216168667.db2.gz YTSOZSIVODPGQN-AWEZNQCLSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1cc(Oc2ccccc2)nc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072361830 216168670 /nfs/dbraw/zinc/16/86/70/216168670.db2.gz YTSOZSIVODPGQN-AWEZNQCLSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1csc(CCNc2cc([C@@H]3C[N@H+](C)CCO3)nc(C)n2)n1 ZINC000072387895 216187970 /nfs/dbraw/zinc/18/79/70/216187970.db2.gz URGSEHAPLFTZPT-AWEZNQCLSA-N 1 2 333.461 2.208 40 0 EEABLO Cc1csc(CCNc2cc([C@@H]3C[N@@H+](C)CCO3)nc(C)n2)n1 ZINC000072387895 216187974 /nfs/dbraw/zinc/18/79/74/216187974.db2.gz URGSEHAPLFTZPT-AWEZNQCLSA-N 1 2 333.461 2.208 40 0 EEABLO Cc1cc(C)c2cc3c(nc2c1)OC(=O)N(CC[NH+]1CCOCC1)C3 ZINC000072396334 216193006 /nfs/dbraw/zinc/19/30/06/216193006.db2.gz 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ZINC000257304570 244472891 /nfs/dbraw/zinc/47/28/91/244472891.db2.gz SMGSCMPUNATTJN-MJGOQNOKSA-N 1 2 348.443 2.212 40 0 EEABLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000093441195 284179381 /nfs/dbraw/zinc/17/93/81/284179381.db2.gz CGMMKLAHEZUIEM-IRXDYDNUSA-N 1 2 343.427 2.104 40 0 EEABLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000093441195 284179382 /nfs/dbraw/zinc/17/93/82/284179382.db2.gz CGMMKLAHEZUIEM-IRXDYDNUSA-N 1 2 343.427 2.104 40 0 EEABLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1 ZINC000257249983 295413563 /nfs/dbraw/zinc/41/35/63/295413563.db2.gz JKNGVXOHNRTLIZ-MRXNPFEDSA-N 1 2 332.425 2.030 40 0 EEABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ncccc1O)c1cccc(F)c1 ZINC000097377870 323322511 /nfs/dbraw/zinc/32/25/11/323322511.db2.gz RZCRDMOPHORUGH-AWEZNQCLSA-N 1 2 326.331 2.179 40 0 EEABLO O=C(c1cccs1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000085473397 462550287 /nfs/dbraw/zinc/55/02/87/462550287.db2.gz KTDQTUZMBKYJIG-CYBMUJFWSA-N 1 2 326.487 2.028 40 0 EEABLO O=S(=O)(NCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000005594850 462664130 /nfs/dbraw/zinc/66/41/30/462664130.db2.gz IDSCVKQEGSCNBW-UHFFFAOYSA-N 1 2 344.234 2.014 40 0 EEABLO Nc1nc(N2CCC[C@H]2C(=O)NCc2ccco2)[nH+]c2ccccc12 ZINC000134902072 463094723 /nfs/dbraw/zinc/09/47/23/463094723.db2.gz OYWIHCXNSRWELQ-HNNXBMFYSA-N 1 2 337.383 2.090 40 0 EEABLO COc1ccc([C@@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)cc1OC ZINC000095533791 463107354 /nfs/dbraw/zinc/10/73/54/463107354.db2.gz ZKIWJLDJYUHCQT-QGZVFWFLSA-N 1 2 340.383 2.449 40 0 EEABLO CCOCC[N@H+]1Cc2ncn(C)c2[C@@H](COCc2cccc(C)n2)C1 ZINC000096045049 463148993 /nfs/dbraw/zinc/14/89/93/463148993.db2.gz HXVHEHWKZAHURY-MRXNPFEDSA-N 1 2 344.459 2.276 40 0 EEABLO CCOCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCc2cccc(C)n2)C1 ZINC000096045049 463148999 /nfs/dbraw/zinc/14/89/99/463148999.db2.gz HXVHEHWKZAHURY-MRXNPFEDSA-N 1 2 344.459 2.276 40 0 EEABLO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(C(=O)C4CCC4)CCO3)C2)cs1 ZINC000096226709 463220366 /nfs/dbraw/zinc/22/03/66/463220366.db2.gz 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ZINC000041624195 463498021 /nfs/dbraw/zinc/49/80/21/463498021.db2.gz CJWCFCJZCQSCLW-XOKHGSTOSA-N 1 2 346.427 2.440 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H](OC)[C@@]2(CCCO2)C1 ZINC000257304571 463769936 /nfs/dbraw/zinc/76/99/36/463769936.db2.gz SMGSCMPUNATTJN-PKOBYXMFSA-N 1 2 348.443 2.212 40 0 EEABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H](OC)[C@@]2(CCCO2)C1 ZINC000257304571 463769943 /nfs/dbraw/zinc/76/99/43/463769943.db2.gz SMGSCMPUNATTJN-PKOBYXMFSA-N 1 2 348.443 2.212 40 0 EEABLO COc1ccc([C@@H]2C[N@H+](Cc3cccnc3)CCN2C(C)=O)cc1 ZINC000257306010 463770217 /nfs/dbraw/zinc/77/02/17/463770217.db2.gz SSMPSCGQNBGNHB-IBGZPJMESA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccc([C@@H]2C[N@@H+](Cc3cccnc3)CCN2C(C)=O)cc1 ZINC000257306010 463770220 /nfs/dbraw/zinc/77/02/20/463770220.db2.gz SSMPSCGQNBGNHB-IBGZPJMESA-N 1 2 325.412 2.496 40 0 EEABLO CNC(=O)C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247940119 464715694 /nfs/dbraw/zinc/71/56/94/464715694.db2.gz IAXNMGVEAZISFF-OAHLLOKOSA-N 1 2 348.834 2.108 40 0 EEABLO CNC(=O)C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247940119 464715698 /nfs/dbraw/zinc/71/56/98/464715698.db2.gz IAXNMGVEAZISFF-OAHLLOKOSA-N 1 2 348.834 2.108 40 0 EEABLO CC[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000248791623 464802422 /nfs/dbraw/zinc/80/24/22/464802422.db2.gz XUUCSMHPJFPHRR-GXTWGEPZSA-N 1 2 346.349 2.046 40 0 EEABLO CC[N@@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000248791623 464802425 /nfs/dbraw/zinc/80/24/25/464802425.db2.gz XUUCSMHPJFPHRR-GXTWGEPZSA-N 1 2 346.349 2.046 40 0 EEABLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)C[C@H]21 ZINC000253420868 465009535 /nfs/dbraw/zinc/00/95/35/465009535.db2.gz DNCBKYSIQCQTJZ-MGPQQGTHSA-N 1 2 349.397 2.222 40 0 EEABLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)C[C@H]21 ZINC000253420868 465009540 /nfs/dbraw/zinc/00/95/40/465009540.db2.gz DNCBKYSIQCQTJZ-MGPQQGTHSA-N 1 2 349.397 2.222 40 0 EEABLO Cc1cc(NC(=O)CN(C)c2cc(N3CCC[C@H](C)C3)[nH+]cn2)no1 ZINC000301190733 465917727 /nfs/dbraw/zinc/91/77/27/465917727.db2.gz WDIUZQQZVNLDIC-LBPRGKRZSA-N 1 2 344.419 2.084 40 0 EEABLO Cc1cc(NC(=O)CN(C)c2cc(N3CCC[C@H](C)C3)nc[nH+]2)no1 ZINC000301190733 465917735 /nfs/dbraw/zinc/91/77/35/465917735.db2.gz WDIUZQQZVNLDIC-LBPRGKRZSA-N 1 2 344.419 2.084 40 0 EEABLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)NCC1(O)CCCCCC1 ZINC000363235402 466299728 /nfs/dbraw/zinc/29/97/28/466299728.db2.gz VFHSKGQQJTUSQT-UHFFFAOYSA-N 1 2 343.431 2.152 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](CNc3ncccn3)C2)o1 ZINC000306130302 466489287 /nfs/dbraw/zinc/48/92/87/466489287.db2.gz JBXSXRFQCBFMMV-OAHLLOKOSA-N 1 2 338.415 2.319 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](CNc3ncccn3)C2)o1 ZINC000306130302 466489298 /nfs/dbraw/zinc/48/92/98/466489298.db2.gz JBXSXRFQCBFMMV-OAHLLOKOSA-N 1 2 338.415 2.319 40 0 EEABLO CCn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2ccccn2)cn1 ZINC000585102857 468970161 /nfs/dbraw/zinc/97/01/61/468970161.db2.gz LFTSLNQCCVRAJS-KRWDZBQOSA-N 1 2 342.443 2.358 40 0 EEABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)Cc2ccnn21 ZINC000585111902 468974776 /nfs/dbraw/zinc/97/47/76/468974776.db2.gz ISXKPNBNLSPCHL-ZDUSSCGKSA-N 1 2 336.798 2.369 40 0 EEABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)Cc2ccnn21 ZINC000585111902 468974781 /nfs/dbraw/zinc/97/47/81/468974781.db2.gz ISXKPNBNLSPCHL-ZDUSSCGKSA-N 1 2 336.798 2.369 40 0 EEABLO CNc1cc([C@@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)cc[nH+]1 ZINC000585181494 468995283 /nfs/dbraw/zinc/99/52/83/468995283.db2.gz HVIWQWBGATXZRG-MRXNPFEDSA-N 1 2 349.438 2.879 40 0 EEABLO Cc1ccc(C[N@@H+]2CCO[C@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585275765 469000894 /nfs/dbraw/zinc/00/08/94/469000894.db2.gz JEAJUFIKLQRONG-LJQANCHMSA-N 1 2 330.403 2.335 40 0 EEABLO Cc1ccc(C[N@H+]2CCO[C@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585275765 469000903 /nfs/dbraw/zinc/00/09/03/469000903.db2.gz JEAJUFIKLQRONG-LJQANCHMSA-N 1 2 330.403 2.335 40 0 EEABLO C[C@]12CC[C@@H]3C[C@@]1(C(=O)N1CCN(c4cccc[nH+]4)CC1)OC[C@@]32C ZINC000000067549 525347694 /nfs/dbraw/zinc/34/76/94/525347694.db2.gz TUCNDMSBQIUJQC-NMLACTOBSA-N 1 2 341.455 2.326 40 0 EEABLO CCC(=O)N1CCC(Cc2nccnc2-c2c[nH+]c(C)n2C)CC1 ZINC000257239663 535296935 /nfs/dbraw/zinc/29/69/35/535296935.db2.gz HQHJBNKLEPQLBN-UHFFFAOYSA-N 1 2 327.432 2.377 40 0 EEABLO Cc1c[nH+]ccc1NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189261014 236810228 /nfs/dbraw/zinc/81/02/28/236810228.db2.gz WODJRUFWVTUHSA-UHFFFAOYSA-N 1 2 326.404 2.345 40 0 EEABLO O=C(Cc1cccnc1)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350633 216162534 /nfs/dbraw/zinc/16/25/34/216162534.db2.gz HLONNZVESCUKST-MRXNPFEDSA-N 1 2 348.410 2.006 40 0 EEABLO O=C(NCC[NH+]1CCOCC1)c1ccc2sc(Cl)nc2c1 ZINC000225975296 242084321 /nfs/dbraw/zinc/08/43/21/242084321.db2.gz WALPVMKYJOGCBY-UHFFFAOYSA-N 1 2 325.821 2.012 40 0 EEABLO CC(=O)N(CC[NH+]1CCN(C(C)=O)CC1)C[C@H]1[C@H](C)C=C(C)C[C@@H]1C ZINC000020791487 212171618 /nfs/dbraw/zinc/17/16/18/212171618.db2.gz HRUBGZMAOSUVOK-UWVAXJGDSA-N 1 2 349.519 2.237 40 0 EEABLO CN(C)c1cc([C@H]2CCCN2C(=O)CCc2ccnn2C)cc[nH+]1 ZINC000257222093 244187942 /nfs/dbraw/zinc/18/79/42/244187942.db2.gz DRWAIHVWUYAUPK-MRXNPFEDSA-N 1 2 327.432 2.177 40 0 EEABLO CNc1cc([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)cc[nH+]1 ZINC000257224462 244195011 /nfs/dbraw/zinc/19/50/11/244195011.db2.gz FBYHOSIBGYCPQQ-HNNXBMFYSA-N 1 2 330.432 2.189 40 0 EEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCOc2ccccc2F)[nH+]1 ZINC000257225481 244197814 /nfs/dbraw/zinc/19/78/14/244197814.db2.gz FGJGUMAEYXRSGT-CQSZACIVSA-N 1 2 333.363 2.226 40 0 EEABLO c1cnc(CC[C@H]2COCC[N@@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000257269637 244374233 /nfs/dbraw/zinc/37/42/33/244374233.db2.gz MQTFNMMWVQRWDR-KRWDZBQOSA-N 1 2 341.411 2.081 40 0 EEABLO c1cnc(CC[C@H]2COCC[N@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000257269637 244374242 /nfs/dbraw/zinc/37/42/42/244374242.db2.gz MQTFNMMWVQRWDR-KRWDZBQOSA-N 1 2 341.411 2.081 40 0 EEABLO Cc1n[nH]c(C)c1CC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257271542 244381121 /nfs/dbraw/zinc/38/11/21/244381121.db2.gz MYSVCWLGXYNIMB-OAHLLOKOSA-N 1 2 327.432 2.091 40 0 EEABLO COC(=O)[C@H]1C[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@H](C)O1 ZINC000097372995 219017303 /nfs/dbraw/zinc/01/73/03/219017303.db2.gz RKWHIWUDZWMJOQ-CZUORRHYSA-N 1 2 335.448 2.230 40 0 EEABLO COC(=O)[C@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@H](C)O1 ZINC000097372995 219017304 /nfs/dbraw/zinc/01/73/04/219017304.db2.gz RKWHIWUDZWMJOQ-CZUORRHYSA-N 1 2 335.448 2.230 40 0 EEABLO Cc1nc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)no1 ZINC000097378498 219019898 /nfs/dbraw/zinc/01/98/98/219019898.db2.gz QIMZJZSFHGBUKP-LLVKDONJSA-N 1 2 335.433 2.028 40 0 EEABLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1nccs1 ZINC000119328153 221295394 /nfs/dbraw/zinc/29/53/94/221295394.db2.gz RUUFQFLJGVAMNS-UHFFFAOYSA-N 1 2 333.417 2.005 40 0 EEABLO O=S(=O)(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000166147990 226150166 /nfs/dbraw/zinc/15/01/66/226150166.db2.gz AYBCHOQZKHUYQS-AWEZNQCLSA-N 1 2 335.404 2.168 40 0 EEABLO Cc1cccc(C[N@H+]2CCc3nc4ccc(F)cc4c(=O)n3CC2)n1 ZINC000019236323 281217628 /nfs/dbraw/zinc/21/76/28/281217628.db2.gz XSYXSZMIRRVPDG-UHFFFAOYSA-N 1 2 338.386 2.297 40 0 EEABLO Cc1cccc(C[N@@H+]2CCc3nc4ccc(F)cc4c(=O)n3CC2)n1 ZINC000019236323 281217631 /nfs/dbraw/zinc/21/76/31/281217631.db2.gz XSYXSZMIRRVPDG-UHFFFAOYSA-N 1 2 338.386 2.297 40 0 EEABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1n[nH]c(C2CC2)c1Cl ZINC000088576977 462637586 /nfs/dbraw/zinc/63/75/86/462637586.db2.gz ZTKGIIXZEKDKIV-UHFFFAOYSA-N 1 2 342.790 2.451 40 0 EEABLO Cc1ccc2nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000046088942 462645894 /nfs/dbraw/zinc/64/58/94/462645894.db2.gz CZCKVXHZEFCWCS-UHFFFAOYSA-N 1 2 347.422 2.291 40 0 EEABLO C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)cn3C)c[nH+]2)CCO1 ZINC000046717111 462698120 /nfs/dbraw/zinc/69/81/20/462698120.db2.gz BEDBVRLSMMMDBH-LBPRGKRZSA-N 1 2 348.834 2.229 40 0 EEABLO c1c2c(cc3nc4c(cc13)C[N@H+](C[C@@H]1CCCO1)CCO4)OCO2 ZINC000019292533 463016409 /nfs/dbraw/zinc/01/64/09/463016409.db2.gz MERINQOTBCLHKZ-AWEZNQCLSA-N 1 2 328.368 2.337 40 0 EEABLO c1c2c(cc3nc4c(cc13)C[N@@H+](C[C@@H]1CCCO1)CCO4)OCO2 ZINC000019292533 463016410 /nfs/dbraw/zinc/01/64/10/463016410.db2.gz MERINQOTBCLHKZ-AWEZNQCLSA-N 1 2 328.368 2.337 40 0 EEABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1ccccc1)CC2 ZINC000019706178 463020961 /nfs/dbraw/zinc/02/09/61/463020961.db2.gz YENXBIUKBXDTHO-MRXNPFEDSA-N 1 2 339.443 2.133 40 0 EEABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1ccccc1)CC2 ZINC000019706178 463020966 /nfs/dbraw/zinc/02/09/66/463020966.db2.gz YENXBIUKBXDTHO-MRXNPFEDSA-N 1 2 339.443 2.133 40 0 EEABLO COc1ccc(NCc2n[nH]c([C@H]([NH3+])c3cccc(OC)c3)n2)cc1 ZINC000095533544 463107665 /nfs/dbraw/zinc/10/76/65/463107665.db2.gz IITDDIGKFXKCNU-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc(NCc2nnc([C@H]([NH3+])c3cccc(OC)c3)[nH]2)cc1 ZINC000095533544 463107671 /nfs/dbraw/zinc/10/76/71/463107671.db2.gz IITDDIGKFXKCNU-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc(NCc2nc([C@H]([NH3+])c3cccc(OC)c3)n[nH]2)cc1 ZINC000095533544 463107676 /nfs/dbraw/zinc/10/76/76/463107676.db2.gz IITDDIGKFXKCNU-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)c1 ZINC000096041846 463146316 /nfs/dbraw/zinc/14/63/16/463146316.db2.gz GDMISHMWLQCXFZ-IPMKNSEASA-N 1 2 342.443 2.117 40 0 EEABLO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)c1 ZINC000096041846 463146319 /nfs/dbraw/zinc/14/63/19/463146319.db2.gz GDMISHMWLQCXFZ-IPMKNSEASA-N 1 2 342.443 2.117 40 0 EEABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC000096041861 463146627 /nfs/dbraw/zinc/14/66/27/463146627.db2.gz MIYJTWWEUOPCFI-LZLYRXPVSA-N 1 2 329.400 2.497 40 0 EEABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC000096041861 463146633 /nfs/dbraw/zinc/14/66/33/463146633.db2.gz MIYJTWWEUOPCFI-LZLYRXPVSA-N 1 2 329.400 2.497 40 0 EEABLO CCn1ncc2c1C[N@H+](Cc1ccc3c(c1)OCO3)C[C@H]2COC ZINC000096044570 463148599 /nfs/dbraw/zinc/14/85/99/463148599.db2.gz DJJKKFILDNMUMW-AWEZNQCLSA-N 1 2 329.400 2.378 40 0 EEABLO CCn1ncc2c1C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@H]2COC ZINC000096044570 463148601 /nfs/dbraw/zinc/14/86/01/463148601.db2.gz DJJKKFILDNMUMW-AWEZNQCLSA-N 1 2 329.400 2.378 40 0 EEABLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000096404878 463239421 /nfs/dbraw/zinc/23/94/21/463239421.db2.gz PXAVZJGWXCZVNL-UHFFFAOYSA-N 1 2 332.360 2.422 40 0 EEABLO Cc1ccc(C(=O)N2CC[NH+](CCOC[C@H]3CCCO3)CC2)s1 ZINC000096421078 463251722 /nfs/dbraw/zinc/25/17/22/463251722.db2.gz VSHISNBFCHQOPQ-OAHLLOKOSA-N 1 2 338.473 2.010 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CC[N@@H+]2C)cc1 ZINC000257300633 463768990 /nfs/dbraw/zinc/76/89/90/463768990.db2.gz RVDFTMIPOXJHLW-GOSISDBHSA-N 1 2 342.443 2.093 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CC[N@H+]2C)cc1 ZINC000257300633 463768994 /nfs/dbraw/zinc/76/89/94/463768994.db2.gz RVDFTMIPOXJHLW-GOSISDBHSA-N 1 2 342.443 2.093 40 0 EEABLO C[N@@H+]1CC[C@@H](Nc2ncnc3[nH]cnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000225600773 464175845 /nfs/dbraw/zinc/17/58/45/464175845.db2.gz LRIHMPKQHYTWLD-OCCSQVGLSA-N 1 2 330.342 2.488 40 0 EEABLO C[N@H+]1CC[C@@H](Nc2ncnc3[nH]cnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000225600773 464175848 /nfs/dbraw/zinc/17/58/48/464175848.db2.gz LRIHMPKQHYTWLD-OCCSQVGLSA-N 1 2 330.342 2.488 40 0 EEABLO COc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2ncccn2)CCO3)c1 ZINC000247886671 464711708 /nfs/dbraw/zinc/71/17/08/464711708.db2.gz LGCIWPXOUPYINQ-QGZVFWFLSA-N 1 2 341.411 2.298 40 0 EEABLO CCCOc1cccc2c(N3CC[C@@H]4OCC(=O)N[C@@H]4C3)cc[nH+]c12 ZINC000252479171 464960859 /nfs/dbraw/zinc/96/08/59/464960859.db2.gz BALGAMXFGUCPAB-ZBFHGGJFSA-N 1 2 341.411 2.117 40 0 EEABLO O=C(CSCc1c(F)cccc1Cl)NCC[NH+]1CCOCC1 ZINC000408563426 466680789 /nfs/dbraw/zinc/68/07/89/466680789.db2.gz MPWIQGYKFWPTIE-UHFFFAOYSA-N 1 2 346.855 2.161 40 0 EEABLO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC000514289879 467941921 /nfs/dbraw/zinc/94/19/21/467941921.db2.gz PPZWWCANCRPYPC-WBVHZDCISA-N 1 2 343.814 2.452 40 0 biogenic,in-vitro EEABLO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC000514289879 467941924 /nfs/dbraw/zinc/94/19/24/467941924.db2.gz PPZWWCANCRPYPC-WBVHZDCISA-N 1 2 343.814 2.452 40 0 biogenic,in-vitro EEABLO Cc1cccc(OC[C@]2(O)CCN(C(=O)CCCn3cc[nH+]c3)C2)c1 ZINC000585271695 468997771 /nfs/dbraw/zinc/99/77/71/468997771.db2.gz IOIPKTLHYHZNPF-IBGZPJMESA-N 1 2 343.427 2.014 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)c3c(C)noc3C)CC[N@@H+]2C)cc1 ZINC000257217141 536945197 /nfs/dbraw/zinc/94/51/97/536945197.db2.gz CXRGCKUCRHFGTR-MRXNPFEDSA-N 1 2 329.400 2.429 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)c3c(C)noc3C)CC[N@H+]2C)cc1 ZINC000257217141 536945201 /nfs/dbraw/zinc/94/52/01/536945201.db2.gz CXRGCKUCRHFGTR-MRXNPFEDSA-N 1 2 329.400 2.429 40 0 EEABLO C[N@H+](CC(=O)NC1CC1)Cc1cc(Br)cc2c1OCC2 ZINC000153709574 529832188 /nfs/dbraw/zinc/83/21/88/529832188.db2.gz KKMMLKMINVSBQY-UHFFFAOYSA-N 1 2 339.233 2.094 40 0 EEABLO C[N@@H+](CC(=O)NC1CC1)Cc1cc(Br)cc2c1OCC2 ZINC000153709574 529832189 /nfs/dbraw/zinc/83/21/89/529832189.db2.gz KKMMLKMINVSBQY-UHFFFAOYSA-N 1 2 339.233 2.094 40 0 EEABLO O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096186974 284010125 /nfs/dbraw/zinc/01/01/25/284010125.db2.gz HQCGIEUVBASAFU-KFWWJZLASA-N 1 2 347.440 2.174 40 0 EEABLO O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096186974 284010134 /nfs/dbraw/zinc/01/01/34/284010134.db2.gz HQCGIEUVBASAFU-KFWWJZLASA-N 1 2 347.440 2.174 40 0 EEABLO CN(C)c1nccc([C@H]2CCCC[N@@H+]2Cc2cnn3cccnc23)n1 ZINC000257218263 244174695 /nfs/dbraw/zinc/17/46/95/244174695.db2.gz DCLBUHZLDDBKJD-MRXNPFEDSA-N 1 2 337.431 2.313 40 0 EEABLO CN(C)c1nccc([C@H]2CCCC[N@H+]2Cc2cnn3cccnc23)n1 ZINC000257218263 244174699 /nfs/dbraw/zinc/17/46/99/244174699.db2.gz DCLBUHZLDDBKJD-MRXNPFEDSA-N 1 2 337.431 2.313 40 0 EEABLO Cc1nccc([C@@H]2CCCN(C(=O)C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000257226335 244200969 /nfs/dbraw/zinc/20/09/69/244200969.db2.gz FKGHVJJIIAHXDF-QGZVFWFLSA-N 1 2 339.443 2.018 40 0 EEABLO Cc1nccc([C@@H]2CCCN(C(=O)C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000257226335 244200976 /nfs/dbraw/zinc/20/09/76/244200976.db2.gz FKGHVJJIIAHXDF-QGZVFWFLSA-N 1 2 339.443 2.018 40 0 EEABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1CCCn1nc(C)cc1C ZINC000019719689 212057076 /nfs/dbraw/zinc/05/70/76/212057076.db2.gz CMHLSEFDWBRPSD-UHFFFAOYSA-N 1 2 342.403 2.354 40 0 EEABLO CC(=O)c1nnn(-c2ccc(F)cc2)c1NCCCn1cc[nH+]c1 ZINC000004943224 210334258 /nfs/dbraw/zinc/33/42/58/210334258.db2.gz IJHUNXGDBIOSKH-UHFFFAOYSA-N 1 2 328.351 2.308 40 0 EEABLO CC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000004909675 210319253 /nfs/dbraw/zinc/31/92/53/210319253.db2.gz HYLGTMHRBXFMKY-UHFFFAOYSA-N 1 2 335.423 2.391 40 0 EEABLO O=C1[C@H]([N@@H+]2CCC3(C2)OCCO3)CCN1c1ccc(Cl)c(F)c1 ZINC000096486790 280322753 /nfs/dbraw/zinc/32/27/53/280322753.db2.gz YOTRNCZPZAUPTJ-CQSZACIVSA-N 1 2 340.782 2.033 40 0 EEABLO O=C1[C@H]([N@H+]2CCC3(C2)OCCO3)CCN1c1ccc(Cl)c(F)c1 ZINC000096486790 280322755 /nfs/dbraw/zinc/32/27/55/280322755.db2.gz YOTRNCZPZAUPTJ-CQSZACIVSA-N 1 2 340.782 2.033 40 0 EEABLO O=C(C[N@H+](Cc1ccnc(Cl)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000076047679 462793858 /nfs/dbraw/zinc/79/38/58/462793858.db2.gz SJQVBPORPAHDPM-HNNXBMFYSA-N 1 2 337.851 2.338 40 0 EEABLO O=C(C[N@@H+](Cc1ccnc(Cl)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000076047679 462793863 /nfs/dbraw/zinc/79/38/63/462793863.db2.gz SJQVBPORPAHDPM-HNNXBMFYSA-N 1 2 337.851 2.338 40 0 EEABLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000019235647 463015624 /nfs/dbraw/zinc/01/56/24/463015624.db2.gz RQJQDUYBRCEGIN-UHFFFAOYSA-N 1 2 338.455 2.455 40 0 EEABLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)NCC1(O)CCC1 ZINC000096416076 463248101 /nfs/dbraw/zinc/24/81/01/463248101.db2.gz RRGPHCSHUPOFEP-UHFFFAOYSA-N 1 2 332.448 2.176 40 0 EEABLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@H](CCC(N)=O)C2)c1 ZINC000096436312 463263860 /nfs/dbraw/zinc/26/38/60/463263860.db2.gz VNNCZOQZSGISCO-OAHLLOKOSA-N 1 2 340.427 2.298 40 0 EEABLO C[C@@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2C)C[C@@H]1n1ccnc1 ZINC000096489092 463285255 /nfs/dbraw/zinc/28/52/55/463285255.db2.gz DBTOSCYNIITNAU-PBHICJAKSA-N 1 2 337.427 2.213 40 0 EEABLO C[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2C)C[C@@H]1n1ccnc1 ZINC000096489092 463285258 /nfs/dbraw/zinc/28/52/58/463285258.db2.gz DBTOSCYNIITNAU-PBHICJAKSA-N 1 2 337.427 2.213 40 0 EEABLO COc1ccc([C@H]2C[N@H+](Cc3ccnc(C)n3)CCN2C(C)=O)cc1 ZINC000257310361 463772606 /nfs/dbraw/zinc/77/26/06/463772606.db2.gz UETWZOWTTDMEOK-LJQANCHMSA-N 1 2 340.427 2.199 40 0 EEABLO COc1ccc([C@H]2C[N@@H+](Cc3ccnc(C)n3)CCN2C(C)=O)cc1 ZINC000257310361 463772613 /nfs/dbraw/zinc/77/26/13/463772613.db2.gz UETWZOWTTDMEOK-LJQANCHMSA-N 1 2 340.427 2.199 40 0 EEABLO CNc1cc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)cc[nH+]1 ZINC000257336961 463784306 /nfs/dbraw/zinc/78/43/06/463784306.db2.gz YQUFZAOGSJCYEV-MRXNPFEDSA-N 1 2 336.399 2.232 40 0 EEABLO CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000194282773 463826955 /nfs/dbraw/zinc/82/69/55/463826955.db2.gz WKRXXMJHSDKOPK-IBGZPJMESA-N 1 2 343.427 2.315 40 0 EEABLO Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)o1 ZINC000253416618 465004583 /nfs/dbraw/zinc/00/45/83/465004583.db2.gz RURBOKAXJFAGMO-XKQJLSEDSA-N 1 2 335.448 2.024 40 0 EEABLO Cc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)o1 ZINC000253416618 465004591 /nfs/dbraw/zinc/00/45/91/465004591.db2.gz RURBOKAXJFAGMO-XKQJLSEDSA-N 1 2 335.448 2.024 40 0 EEABLO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363933731 466659622 /nfs/dbraw/zinc/65/96/22/466659622.db2.gz IPIUBHXRIRFMDK-GFCCVEGCSA-N 1 2 346.324 2.391 40 0 EEABLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000390833945 467414347 /nfs/dbraw/zinc/41/43/47/467414347.db2.gz PFZIYKWQPCKKSJ-UKRRQHHQSA-N 1 2 336.407 2.406 40 0 EEABLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000390833945 467414351 /nfs/dbraw/zinc/41/43/51/467414351.db2.gz PFZIYKWQPCKKSJ-UKRRQHHQSA-N 1 2 336.407 2.406 40 0 EEABLO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2nccs2)CC[C@@]1(C)O ZINC000604382707 485648109 /nfs/dbraw/zinc/64/81/09/485648109.db2.gz ZGIQAXZKTRGSNA-OKZBNKHCSA-N 1 2 345.468 2.346 40 0 biogenic,in-vitro EEABLO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2nccs2)CC[C@@]1(C)O ZINC000604382707 485648117 /nfs/dbraw/zinc/64/81/17/485648117.db2.gz ZGIQAXZKTRGSNA-OKZBNKHCSA-N 1 2 345.468 2.346 40 0 biogenic,in-vitro EEABLO O=C(NCc1cn2ccccc2[nH+]1)c1ncccc1Br ZINC000253429133 526804278 /nfs/dbraw/zinc/80/42/78/526804278.db2.gz OVFMTYKPKDDHKC-UHFFFAOYSA-N 1 2 331.173 2.422 40 0 EEABLO Cc1cc(Oc2ccccc2)nc([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072361829 216169108 /nfs/dbraw/zinc/16/91/08/216169108.db2.gz YTSOZSIVODPGQN-CQSZACIVSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1cc(Oc2ccccc2)nc([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072361829 216169111 /nfs/dbraw/zinc/16/91/11/216169111.db2.gz YTSOZSIVODPGQN-CQSZACIVSA-N 1 2 326.400 2.242 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072369541 216176093 /nfs/dbraw/zinc/17/60/93/216176093.db2.gz PVHGRKJNHNTCBH-NSHDSACASA-N 1 2 325.459 2.254 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000072369541 216176094 /nfs/dbraw/zinc/17/60/94/216176094.db2.gz PVHGRKJNHNTCBH-NSHDSACASA-N 1 2 325.459 2.254 40 0 EEABLO Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3cc[nH]n3)CC2)n1 ZINC000072379007 216181432 /nfs/dbraw/zinc/18/14/32/216181432.db2.gz XSBIESAFTRKSCB-UHFFFAOYSA-N 1 2 336.399 2.319 40 0 EEABLO Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3ccn[nH]3)CC2)n1 ZINC000072379007 216181437 /nfs/dbraw/zinc/18/14/37/216181437.db2.gz XSBIESAFTRKSCB-UHFFFAOYSA-N 1 2 336.399 2.319 40 0 EEABLO O=C(c1cnccn1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378756 216181661 /nfs/dbraw/zinc/18/16/61/216181661.db2.gz ZABQZAIJUPBWQS-AWEZNQCLSA-N 1 2 334.383 2.077 40 0 EEABLO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072384810 216185046 /nfs/dbraw/zinc/18/50/46/216185046.db2.gz ANMMRPQAKBAMEO-CQSZACIVSA-N 1 2 340.431 2.149 40 0 EEABLO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072384810 216185048 /nfs/dbraw/zinc/18/50/48/216185048.db2.gz ANMMRPQAKBAMEO-CQSZACIVSA-N 1 2 340.431 2.149 40 0 EEABLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCSc3ccccc3)C[C@H]21 ZINC000241739161 243000908 /nfs/dbraw/zinc/00/09/08/243000908.db2.gz RANALQKAYCCWGF-IAGOWNOFSA-N 1 2 349.500 2.283 40 0 EEABLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCSc3ccccc3)C[C@H]21 ZINC000241739161 243000913 /nfs/dbraw/zinc/00/09/13/243000913.db2.gz RANALQKAYCCWGF-IAGOWNOFSA-N 1 2 349.500 2.283 40 0 EEABLO CNc1cc([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)cc[nH+]1 ZINC000257208880 244142988 /nfs/dbraw/zinc/14/29/88/244142988.db2.gz BNXAGGGQOHQNPR-AWEZNQCLSA-N 1 2 336.399 2.186 40 0 EEABLO Cc1cc(N2CCC[C@@H](Cc3cncc(-c4cncn4C)n3)C2)nc[nH+]1 ZINC000257267034 244365258 /nfs/dbraw/zinc/36/52/58/244365258.db2.gz MFRSPVRNHWIDIW-HNNXBMFYSA-N 1 2 349.442 2.435 40 0 EEABLO CNc1cccc([C@@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257261110 244347846 /nfs/dbraw/zinc/34/78/46/244347846.db2.gz LFTFNNZBZFIHIW-SFHVURJKSA-N 1 2 343.427 2.068 40 0 EEABLO CNc1cccc([C@@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257261110 244347851 /nfs/dbraw/zinc/34/78/51/244347851.db2.gz LFTFNNZBZFIHIW-SFHVURJKSA-N 1 2 343.427 2.068 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCN1C ZINC000257278001 244398555 /nfs/dbraw/zinc/39/85/55/244398555.db2.gz OAIYPZSQWNRPTG-KRWDZBQOSA-N 1 2 342.443 2.187 40 0 EEABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCCCO)C1 ZINC000019524396 212038039 /nfs/dbraw/zinc/03/80/39/212038039.db2.gz BVXDRJSHFUXWGO-OAHLLOKOSA-N 1 2 344.459 2.161 40 0 EEABLO O=S(=O)(Nc1ccccc1OCCn1cc[nH+]c1)c1cccnc1 ZINC000078556804 217077388 /nfs/dbraw/zinc/07/73/88/217077388.db2.gz OWIVECBJOQMADB-UHFFFAOYSA-N 1 2 344.396 2.158 40 0 EEABLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3cc(C)on3)CC2)c1 ZINC000081349263 217385900 /nfs/dbraw/zinc/38/59/00/217385900.db2.gz ODGMFYCIERRGLT-OAHLLOKOSA-N 1 2 343.427 2.440 40 0 EEABLO CN(C[C@@H](O)C1CC1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000095411265 218347897 /nfs/dbraw/zinc/34/78/97/218347897.db2.gz HFCYLIGWURHLLL-QGZVFWFLSA-N 1 2 346.475 2.374 40 0 EEABLO CC(C)[C@H](O)Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000097379286 219020041 /nfs/dbraw/zinc/02/00/41/219020041.db2.gz VEZZKUHPNFRNIW-MRXNPFEDSA-N 1 2 331.416 2.128 40 0 EEABLO CC(C)N1C[NH+]=C2N[C@@H](c3ccccn3)n3c4ccccc4nc3N2C1 ZINC000013638314 277631692 /nfs/dbraw/zinc/63/16/92/277631692.db2.gz DKOKBOUNZJAILS-QGZVFWFLSA-N 1 2 347.426 2.383 40 0 EEABLO COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1ccnnc1 ZINC000257302897 278061144 /nfs/dbraw/zinc/06/11/44/278061144.db2.gz SEWPSRGFDIBSRM-INIZCTEOSA-N 1 2 349.394 2.387 40 0 EEABLO Cc1nc(C[N@@H+]2CCC3(CN(C(=O)c4ccncc4)C3)C2)cs1 ZINC000096202537 279082734 /nfs/dbraw/zinc/08/27/34/279082734.db2.gz LIROTDBHRCLNKB-UHFFFAOYSA-N 1 2 328.441 2.195 40 0 EEABLO Cc1nc(C[N@H+]2CCC3(CN(C(=O)c4ccncc4)C3)C2)cs1 ZINC000096202537 279082737 /nfs/dbraw/zinc/08/27/37/279082737.db2.gz LIROTDBHRCLNKB-UHFFFAOYSA-N 1 2 328.441 2.195 40 0 EEABLO COc1cc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)ccc1F ZINC000190488178 323468959 /nfs/dbraw/zinc/46/89/59/323468959.db2.gz XGXCVMWXTAQAHE-UHFFFAOYSA-N 1 2 349.387 2.003 40 0 EEABLO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000014400553 462926850 /nfs/dbraw/zinc/92/68/50/462926850.db2.gz FFKHSAHYUHAEEJ-HNNXBMFYSA-N 1 2 334.460 2.200 40 0 EEABLO CCCn1c[nH+]c2c1CN(C(=O)c1ccc(F)cc1)[C@H](C(=O)OC)C2 ZINC000015706997 462961346 /nfs/dbraw/zinc/96/13/46/462961346.db2.gz UDIGMVMDCVXNAI-HNNXBMFYSA-N 1 2 345.374 2.172 40 0 biogenic,in-vitro EEABLO Cc1noc(C)c1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CC2)C1 ZINC000096044928 463149026 /nfs/dbraw/zinc/14/90/26/463149026.db2.gz FQBISADTVQGHAC-AWEZNQCLSA-N 1 2 344.415 2.191 40 0 EEABLO CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2cn(C)nc21 ZINC000096068288 463166261 /nfs/dbraw/zinc/16/62/61/463166261.db2.gz CEFUDBZCFFLGSO-HNNXBMFYSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2cn(C)nc21 ZINC000096068288 463166266 /nfs/dbraw/zinc/16/62/66/463166266.db2.gz CEFUDBZCFFLGSO-HNNXBMFYSA-N 1 2 329.400 2.285 40 0 EEABLO O=S(=O)(c1cccs1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC000096184651 463195799 /nfs/dbraw/zinc/19/57/99/463195799.db2.gz SKDLFQNMWHRIMB-LSDHHAIUSA-N 1 2 349.481 2.181 40 0 EEABLO O=S(=O)(c1cccs1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000096184651 463195805 /nfs/dbraw/zinc/19/58/05/463195805.db2.gz SKDLFQNMWHRIMB-LSDHHAIUSA-N 1 2 349.481 2.181 40 0 EEABLO O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096186982 463199302 /nfs/dbraw/zinc/19/93/02/463199302.db2.gz PQWKTQZLHHYPBT-KFWWJZLASA-N 1 2 344.440 2.299 40 0 EEABLO O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096186982 463199304 /nfs/dbraw/zinc/19/93/04/463199304.db2.gz PQWKTQZLHHYPBT-KFWWJZLASA-N 1 2 344.440 2.299 40 0 EEABLO Cc1cc(C[N@@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)no1 ZINC000096187136 463199369 /nfs/dbraw/zinc/19/93/69/463199369.db2.gz WDOWFCZAZANNPB-SQNIBIBYSA-N 1 2 329.400 2.327 40 0 EEABLO Cc1cc(C[N@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)no1 ZINC000096187136 463199371 /nfs/dbraw/zinc/19/93/71/463199371.db2.gz WDOWFCZAZANNPB-SQNIBIBYSA-N 1 2 329.400 2.327 40 0 EEABLO Cn1cc(C(=O)C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2F)cn1 ZINC000096485963 463284131 /nfs/dbraw/zinc/28/41/31/463284131.db2.gz NIWIEQTWIFFQJA-AWEZNQCLSA-N 1 2 344.390 2.235 40 0 EEABLO Cn1cc(C(=O)C[C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2F)cn1 ZINC000096485963 463284140 /nfs/dbraw/zinc/28/41/40/463284140.db2.gz NIWIEQTWIFFQJA-AWEZNQCLSA-N 1 2 344.390 2.235 40 0 EEABLO Cc1c(C[N@@H+]2CCO[C@](C)(C(=O)N(C)C)C2)[nH]c2ccc(F)cc12 ZINC000072379702 463509523 /nfs/dbraw/zinc/50/95/23/463509523.db2.gz PYXVJMMRZYNBKN-SFHVURJKSA-N 1 2 333.407 2.295 40 0 EEABLO Cc1c(C[N@H+]2CCO[C@](C)(C(=O)N(C)C)C2)[nH]c2ccc(F)cc12 ZINC000072379702 463509526 /nfs/dbraw/zinc/50/95/26/463509526.db2.gz PYXVJMMRZYNBKN-SFHVURJKSA-N 1 2 333.407 2.295 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccco1)c1ccco1 ZINC000107747477 463581341 /nfs/dbraw/zinc/58/13/41/463581341.db2.gz MISXUPRCZWPXAB-JLJPHGGASA-N 1 2 330.384 2.282 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/nfs/dbraw/zinc/15/82/04/216158204.db2.gz RCPGBKKINHNBON-UHFFFAOYSA-N 1 2 336.399 2.019 40 0 EEABLO O=C(Cc1cccnc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355410 216164173 /nfs/dbraw/zinc/16/41/73/216164173.db2.gz CFDCYASTFHZIAA-INIZCTEOSA-N 1 2 348.410 2.006 40 0 EEABLO Cc1nn(C)c(C)c1OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000072497489 216263175 /nfs/dbraw/zinc/26/31/75/216263175.db2.gz KYJZORNYQFNSIJ-KRWDZBQOSA-N 1 2 343.427 2.233 40 0 EEABLO Cc1nn(C)c(C)c1OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000072497489 216263181 /nfs/dbraw/zinc/26/31/81/216263181.db2.gz KYJZORNYQFNSIJ-KRWDZBQOSA-N 1 2 343.427 2.233 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)S1 ZINC000073118201 216351498 /nfs/dbraw/zinc/35/14/98/216351498.db2.gz YDWAFPBQTSYAPP-LBPRGKRZSA-N 1 2 328.441 2.417 40 0 EEABLO CCOc1cccc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000225712126 241998831 /nfs/dbraw/zinc/99/88/31/241998831.db2.gz JCVUESGSGUWTGN-AWEZNQCLSA-N 1 2 349.456 2.387 40 0 EEABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000012116425 211295824 /nfs/dbraw/zinc/29/58/24/211295824.db2.gz KWCMBHIYJWBXLR-GJZGRUSLSA-N 1 2 342.443 2.085 40 0 EEABLO Cn1c[nH+]c2c1[C@H](COCC1CCOCC1)CN(C(=O)CC1CC1)C2 ZINC000096045004 218530915 /nfs/dbraw/zinc/53/09/15/218530915.db2.gz RWBSGUYKRQWSRV-INIZCTEOSA-N 1 2 347.459 2.089 40 0 EEABLO COC[C@@H]1CN(C(=O)c2ccccn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045086 285296558 /nfs/dbraw/zinc/29/65/58/285296558.db2.gz CJXUEHVUXCMMQS-AWEZNQCLSA-N 1 2 326.400 2.074 40 0 EEABLO O=S(=O)(Cc1ccccc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000166139648 226148796 /nfs/dbraw/zinc/14/87/96/226148796.db2.gz SKSIIXROUOGZEJ-MRXNPFEDSA-N 1 2 331.441 2.170 40 0 EEABLO C[NH+](C)[C@H](CNC(=O)c1cn2cccnc2n1)c1c(F)cccc1F ZINC000096406370 289363384 /nfs/dbraw/zinc/36/33/84/289363384.db2.gz HWFNNOBLUNGPJE-CQSZACIVSA-N 1 2 345.353 2.040 40 0 EEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3[nH]c(C)nc3c2)[nH+]1 ZINC000257232373 301024049 /nfs/dbraw/zinc/02/40/49/301024049.db2.gz GKPGVDHINDAGNV-HNNXBMFYSA-N 1 2 325.372 2.117 40 0 EEABLO CC[C@@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1nccs1 ZINC000097376463 323322099 /nfs/dbraw/zinc/32/20/99/323322099.db2.gz RVPGXZYIZTZFHT-CYBMUJFWSA-N 1 2 346.460 2.224 40 0 EEABLO CNC(=O)c1cccc(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)c1 ZINC000085821309 462559965 /nfs/dbraw/zinc/55/99/65/462559965.db2.gz ONWVLFYQWJIYFQ-UHFFFAOYSA-N 1 2 346.500 2.045 40 0 EEABLO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)nc1 ZINC000088520436 462633228 /nfs/dbraw/zinc/63/32/28/462633228.db2.gz DRBDXBGPXLGSBF-CYBMUJFWSA-N 1 2 331.338 2.075 40 0 EEABLO CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)nc1 ZINC000088520436 462633231 /nfs/dbraw/zinc/63/32/31/462633231.db2.gz DRBDXBGPXLGSBF-CYBMUJFWSA-N 1 2 331.338 2.075 40 0 EEABLO COc1ccccc1-n1c(C)nnc1SCC[NH+]1CCOCC1 ZINC000019288321 463016479 /nfs/dbraw/zinc/01/64/79/463016479.db2.gz OAKCBYHLYVTKDK-UHFFFAOYSA-N 1 2 334.445 2.009 40 0 EEABLO Cc1cc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCc4ccco4)CC[C@H]32)no1 ZINC000096186975 463199114 /nfs/dbraw/zinc/19/91/14/463199114.db2.gz UFMHMVCGDXOJDA-ZACQAIPSSA-N 1 2 345.399 2.014 40 0 EEABLO Cc1cc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NCc4ccco4)CC[C@H]32)no1 ZINC000096186975 463199122 /nfs/dbraw/zinc/19/91/22/463199122.db2.gz UFMHMVCGDXOJDA-ZACQAIPSSA-N 1 2 345.399 2.014 40 0 EEABLO Cc1ccc(C[N@H+]2CCc3c(COCC(=O)N(C)C)cncc3C2)o1 ZINC000096189383 463201348 /nfs/dbraw/zinc/20/13/48/463201348.db2.gz PGAFTTQOQSUKNG-UHFFFAOYSA-N 1 2 343.427 2.146 40 0 EEABLO Cc1ccc(C[N@@H+]2CCc3c(COCC(=O)N(C)C)cncc3C2)o1 ZINC000096189383 463201358 /nfs/dbraw/zinc/20/13/58/463201358.db2.gz PGAFTTQOQSUKNG-UHFFFAOYSA-N 1 2 343.427 2.146 40 0 EEABLO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4nccn4C)C3)CC2=O)s1 ZINC000096239334 463224559 /nfs/dbraw/zinc/22/45/59/463224559.db2.gz IJUKBDIOJHKVSP-QGZVFWFLSA-N 1 2 330.457 2.419 40 0 EEABLO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4nccn4C)C3)CC2=O)s1 ZINC000096239334 463224562 /nfs/dbraw/zinc/22/45/62/463224562.db2.gz IJUKBDIOJHKVSP-QGZVFWFLSA-N 1 2 330.457 2.419 40 0 EEABLO O=C(C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)NCC(F)(F)F ZINC000096414964 463246865 /nfs/dbraw/zinc/24/68/65/463246865.db2.gz SNSOFCJJPLSTPM-GFCCVEGCSA-N 1 2 346.324 2.399 40 0 EEABLO O=C(C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)NCC(F)(F)F ZINC000096414964 463246870 /nfs/dbraw/zinc/24/68/70/463246870.db2.gz SNSOFCJJPLSTPM-GFCCVEGCSA-N 1 2 346.324 2.399 40 0 EEABLO O=S(=O)(c1cccnc1)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000096428607 463258070 /nfs/dbraw/zinc/25/80/70/463258070.db2.gz VOLQLFKZAIAEQV-OAHLLOKOSA-N 1 2 340.408 2.271 40 0 EEABLO Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N(C)C)c2)cc1N(C)C ZINC000096461890 463276878 /nfs/dbraw/zinc/27/68/78/463276878.db2.gz CYEYCYYKEHEUHE-UHFFFAOYSA-N 1 2 348.472 2.001 40 0 EEABLO C[N@@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096486556 463284227 /nfs/dbraw/zinc/28/42/27/463284227.db2.gz UKVDAYMAARCMQK-RDJZCZTQSA-N 1 2 334.370 2.113 40 0 EEABLO C[N@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096486556 463284232 /nfs/dbraw/zinc/28/42/32/463284232.db2.gz UKVDAYMAARCMQK-RDJZCZTQSA-N 1 2 334.370 2.113 40 0 EEABLO Cc1nc(CN2CCN(C(=O)Nc3cc[nH+]cc3C)CC2)oc1C ZINC000096489246 463285662 /nfs/dbraw/zinc/28/56/62/463285662.db2.gz UHANXIJBCSGCNP-UHFFFAOYSA-N 1 2 329.404 2.345 40 0 EEABLO O=C1[C@H]([NH2+][C@@H]2CCCn3ncnc32)CCN1c1ccc(F)c(Cl)c1 ZINC000096494476 463288969 /nfs/dbraw/zinc/28/89/69/463288969.db2.gz VIDAUSCPBJZNTQ-ZIAGYGMSSA-N 1 2 349.797 2.301 40 0 EEABLO Cc1ccc([C@@]2(C)NC(=O)N(Cc3cc[nH+]c(N(C)C)c3)C2=O)cc1 ZINC000097238393 463354237 /nfs/dbraw/zinc/35/42/37/463354237.db2.gz HJVCCRSLLFWGBT-LJQANCHMSA-N 1 2 338.411 2.423 40 0 EEABLO Cc1cc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)Nc4cccnc4)CC[C@H]32)no1 ZINC000107207930 463561785 /nfs/dbraw/zinc/56/17/85/463561785.db2.gz GWUMTMTUVHGPDY-BRWVUGGUSA-N 1 2 342.399 2.139 40 0 EEABLO Cc1cc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)Nc4cccnc4)CC[C@H]32)no1 ZINC000107207930 463561790 /nfs/dbraw/zinc/56/17/90/463561790.db2.gz GWUMTMTUVHGPDY-BRWVUGGUSA-N 1 2 342.399 2.139 40 0 EEABLO CCn1cc(C[N@@H+]2CCN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)cn1 ZINC000257201802 463756713 /nfs/dbraw/zinc/75/67/13/463756713.db2.gz AJCFGCLVGBWNOC-IBGZPJMESA-N 1 2 342.443 2.317 40 0 EEABLO CCn1cc(C[N@H+]2CCN(C(C)=O)[C@H](c3ccc(OC)cc3)C2)cn1 ZINC000257201802 463756721 /nfs/dbraw/zinc/75/67/21/463756721.db2.gz AJCFGCLVGBWNOC-IBGZPJMESA-N 1 2 342.443 2.317 40 0 EEABLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)cc1 ZINC000257295051 463766335 /nfs/dbraw/zinc/76/63/35/463766335.db2.gz QWSLEDDQOMTQRX-HNNXBMFYSA-N 1 2 333.457 2.268 40 0 EEABLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)cc1 ZINC000257295051 463766336 /nfs/dbraw/zinc/76/63/36/463766336.db2.gz QWSLEDDQOMTQRX-HNNXBMFYSA-N 1 2 333.457 2.268 40 0 EEABLO O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)N1CC[NH+](Cc2ccccn2)CC1 ZINC000194326985 463836804 /nfs/dbraw/zinc/83/68/04/463836804.db2.gz XGYNHBQBLBQYSJ-XUVXKRRUSA-N 1 2 348.450 2.247 40 0 EEABLO CC(C)n1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000265377614 464538682 /nfs/dbraw/zinc/53/86/82/464538682.db2.gz ZZWMKCSZIVWSCF-HNNXBMFYSA-N 1 2 327.432 2.378 40 0 EEABLO CCOc1cc(Cl)ccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000182202912 464597738 /nfs/dbraw/zinc/59/77/38/464597738.db2.gz JHBMGWVWADLOQN-CQSZACIVSA-N 1 2 338.835 2.285 40 0 EEABLO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000247983533 464721899 /nfs/dbraw/zinc/72/18/99/464721899.db2.gz HXZRBSVPASAOJW-SFHVURJKSA-N 1 2 337.427 2.446 40 0 EEABLO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000247983533 464721906 /nfs/dbraw/zinc/72/19/06/464721906.db2.gz HXZRBSVPASAOJW-SFHVURJKSA-N 1 2 337.427 2.446 40 0 EEABLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ncccc2Cl)C1)C1CC1 ZINC000528501350 467689491 /nfs/dbraw/zinc/68/94/91/467689491.db2.gz FLKLHMLOMPQRKE-LBPRGKRZSA-N 1 2 343.880 2.029 40 0 EEABLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ncccc2Cl)C1)C1CC1 ZINC000528501350 467689494 /nfs/dbraw/zinc/68/94/94/467689494.db2.gz FLKLHMLOMPQRKE-LBPRGKRZSA-N 1 2 343.880 2.029 40 0 EEABLO Cc1noc(C)c1C[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(F)ccc1C(=O)N2C ZINC000514288639 467941634 /nfs/dbraw/zinc/94/16/34/467941634.db2.gz KRYJRPGTXQWQDV-WBVHZDCISA-N 1 2 345.374 2.148 40 0 biogenic,in-vitro EEABLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(F)ccc1C(=O)N2C ZINC000514288639 467941635 /nfs/dbraw/zinc/94/16/35/467941635.db2.gz KRYJRPGTXQWQDV-WBVHZDCISA-N 1 2 345.374 2.148 40 0 biogenic,in-vitro EEABLO CNc1cc([C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)cc[nH+]1 ZINC000585181493 468995739 /nfs/dbraw/zinc/99/57/39/468995739.db2.gz HVIWQWBGATXZRG-INIZCTEOSA-N 1 2 349.438 2.879 40 0 EEABLO COC(=O)[C@@H]1CCCCN1C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000132992148 534282915 /nfs/dbraw/zinc/28/29/15/534282915.db2.gz YMSHFVAQULBBGM-INIZCTEOSA-N 1 2 329.400 2.289 40 0 EEABLO COc1ccccc1-c1ocnc1C(=O)NCCCn1cc[nH+]c1 ZINC000012143588 524298786 /nfs/dbraw/zinc/29/87/86/524298786.db2.gz RGTQFEGEWJWFCX-UHFFFAOYSA-N 1 2 326.356 2.367 40 0 EEABLO CCOC(=O)c1csc(C2CC[NH+](Cc3nnc(C)n3C)CC2)n1 ZINC000191577370 528333077 /nfs/dbraw/zinc/33/30/77/528333077.db2.gz IJRJFVDJFYMHPO-UHFFFAOYSA-N 1 2 349.460 2.136 40 0 EEABLO S=C(NCC[NH+]1CCOCC1)Nc1ncc(Cl)cc1Cl ZINC000223890791 241703543 /nfs/dbraw/zinc/70/35/43/241703543.db2.gz IEFATXSVDRZEBS-UHFFFAOYSA-N 1 2 335.260 2.007 40 0 EEABLO COc1ccc(C)cc1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257243179 244251769 /nfs/dbraw/zinc/25/17/69/244251769.db2.gz IFTINWAGIAJFIZ-GPMSIDNRSA-N 1 2 343.427 2.014 40 0 EEABLO Cc1cn(C)c([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257237022 244233734 /nfs/dbraw/zinc/23/37/34/244233734.db2.gz HEVRQVXNGQXLKM-QGZVFWFLSA-N 1 2 329.400 2.073 40 0 EEABLO Cc1cn(C)c([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257237022 244233739 /nfs/dbraw/zinc/23/37/39/244233739.db2.gz HEVRQVXNGQXLKM-QGZVFWFLSA-N 1 2 329.400 2.073 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)c3ccc(C)[nH]c3=O)CC[N@@H+]2C)cc1 ZINC000257240906 244240835 /nfs/dbraw/zinc/24/08/35/244240835.db2.gz HVQZNQCWZDMEFL-KRWDZBQOSA-N 1 2 341.411 2.233 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)c3ccc(C)[nH]c3=O)CC[N@H+]2C)cc1 ZINC000257240906 244240840 /nfs/dbraw/zinc/24/08/40/244240840.db2.gz HVQZNQCWZDMEFL-KRWDZBQOSA-N 1 2 341.411 2.233 40 0 EEABLO CCn1c(COc2ccccc2)nnc1SCC[NH+]1CCOCC1 ZINC000019524208 212038232 /nfs/dbraw/zinc/03/82/32/212038232.db2.gz KSYHNNYQBLZXBY-UHFFFAOYSA-N 1 2 348.472 2.301 40 0 EEABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349356 212020113 /nfs/dbraw/zinc/02/01/13/212020113.db2.gz IKQSDKCNLICJFM-UHFFFAOYSA-N 1 2 328.391 2.068 40 0 EEABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000019349356 212020116 /nfs/dbraw/zinc/02/01/16/212020116.db2.gz IKQSDKCNLICJFM-UHFFFAOYSA-N 1 2 328.391 2.068 40 0 EEABLO C[C@H](Oc1ccccc1Br)C(=O)NCc1[nH+]ccn1C ZINC000079001037 217170914 /nfs/dbraw/zinc/17/09/14/217170914.db2.gz FJVSKQAOBIVMRA-JTQLQIEISA-N 1 2 338.205 2.266 40 0 EEABLO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(CC(F)F)CC2)cc1 ZINC000092586799 218152302 /nfs/dbraw/zinc/15/23/02/218152302.db2.gz XRMJVSCSMUASDD-UHFFFAOYSA-N 1 2 336.386 2.468 40 0 EEABLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000095398092 218331007 /nfs/dbraw/zinc/33/10/07/218331007.db2.gz GUDARZVRUCJYTN-BYICEURKSA-N 1 2 340.427 2.175 40 0 EEABLO COc1cc(=O)n(Cc2[nH+]ccn2C(F)F)cc1Br ZINC000095451619 218395791 /nfs/dbraw/zinc/39/57/91/218395791.db2.gz XEGLWXCFDSJUIF-UHFFFAOYSA-N 1 2 334.120 2.259 40 0 EEABLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000370672368 166507946 /nfs/dbraw/zinc/50/79/46/166507946.db2.gz DPSCRVBFTKUHTP-AWEZNQCLSA-N 1 2 332.379 2.312 40 0 EEABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 ZINC000096042270 279248783 /nfs/dbraw/zinc/24/87/83/279248783.db2.gz MIYJTWWEUOPCFI-XYJFISCASA-N 1 2 329.400 2.497 40 0 EEABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 ZINC000096042270 279248786 /nfs/dbraw/zinc/24/87/86/279248786.db2.gz MIYJTWWEUOPCFI-XYJFISCASA-N 1 2 329.400 2.497 40 0 EEABLO COc1cccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3CNC(N)=O)o2)c1 ZINC000075683049 462750784 /nfs/dbraw/zinc/75/07/84/462750784.db2.gz XBYLUBFRCPKFKH-CQSZACIVSA-N 1 2 344.415 2.373 40 0 EEABLO COc1cccc(-c2cnc(C[N@H+]3CCCC[C@@H]3CNC(N)=O)o2)c1 ZINC000075683049 462750791 /nfs/dbraw/zinc/75/07/91/462750791.db2.gz XBYLUBFRCPKFKH-CQSZACIVSA-N 1 2 344.415 2.373 40 0 EEABLO c1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC000096041787 463146096 /nfs/dbraw/zinc/14/60/96/463146096.db2.gz KLUWYJKCWUYDKA-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC000096041787 463146101 /nfs/dbraw/zinc/14/61/01/463146101.db2.gz KLUWYJKCWUYDKA-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO Cn1nc(C(=O)N2CCCC2)c2c1C[N@H+](Cc1ccsc1)CC2 ZINC000096187472 463198439 /nfs/dbraw/zinc/19/84/39/463198439.db2.gz CILFRLVVPAKIEL-UHFFFAOYSA-N 1 2 330.457 2.276 40 0 EEABLO Cn1nc(C(=O)N2CCCC2)c2c1C[N@@H+](Cc1ccsc1)CC2 ZINC000096187472 463198445 /nfs/dbraw/zinc/19/84/45/463198445.db2.gz CILFRLVVPAKIEL-UHFFFAOYSA-N 1 2 330.457 2.276 40 0 EEABLO CCOC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197737 463203587 /nfs/dbraw/zinc/20/35/87/463203587.db2.gz BIYVDPKIVQMJLY-OAHLLOKOSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197737 463203591 /nfs/dbraw/zinc/20/35/91/463203591.db2.gz BIYVDPKIVQMJLY-OAHLLOKOSA-N 1 2 329.400 2.285 40 0 EEABLO Cc1occc1C(=O)N1C[C@@H]2COC[C@]2(CNc2cccc[nH+]2)C1 ZINC000096217681 463215270 /nfs/dbraw/zinc/21/52/70/463215270.db2.gz ZZDYGDFOPHFWCJ-KDOFPFPSSA-N 1 2 327.384 2.184 40 0 EEABLO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@@H]1c2ccccc2C[C@H]1C ZINC000096408679 463241862 /nfs/dbraw/zinc/24/18/62/463241862.db2.gz RNKVSEUHGOLACA-BZNIZROVSA-N 1 2 337.383 2.345 40 0 EEABLO CC(C)c1ccc(N2CC[C@@H](C(=O)NCc3[nH+]ccn3C)C2=O)cc1 ZINC000096423680 463254044 /nfs/dbraw/zinc/25/40/44/463254044.db2.gz VELVHIAOULQWEC-INIZCTEOSA-N 1 2 340.427 2.213 40 0 EEABLO C[NH+]1CCN(CCCCNc2ncnc3cc(F)c(F)cc32)CC1 ZINC000096426894 463255859 /nfs/dbraw/zinc/25/58/59/463255859.db2.gz JLWBHWXKPPNCBW-UHFFFAOYSA-N 1 2 335.402 2.348 40 0 EEABLO Cn1c2ccccc2[nH+]c1CCCNc1cnn(C)c(=O)c1Cl ZINC000096452892 463273342 /nfs/dbraw/zinc/27/33/42/463273342.db2.gz ZVYQRPTXHYLUDS-UHFFFAOYSA-N 1 2 331.807 2.365 40 0 EEABLO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)NCCc2cscn2)CC1 ZINC000096503185 463293092 /nfs/dbraw/zinc/29/30/92/463293092.db2.gz BRNAWOYHOUDFRO-AWEZNQCLSA-N 1 2 345.472 2.169 40 0 EEABLO C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000097372846 463355793 /nfs/dbraw/zinc/35/57/93/463355793.db2.gz CHSLOJIBSWHEOZ-UAGQMJEPSA-N 1 2 342.443 2.116 40 0 EEABLO C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000058013677 463534809 /nfs/dbraw/zinc/53/48/09/463534809.db2.gz NEUAFUQVQFGNMV-GFCCVEGCSA-N 1 2 345.848 2.120 40 0 EEABLO C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000058013677 463534813 /nfs/dbraw/zinc/53/48/13/463534813.db2.gz NEUAFUQVQFGNMV-GFCCVEGCSA-N 1 2 345.848 2.120 40 0 EEABLO Cc1ccc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC000257280449 463760209 /nfs/dbraw/zinc/76/02/09/463760209.db2.gz OKWYVMZNNWNEMS-AWEZNQCLSA-N 1 2 326.400 2.232 40 0 EEABLO CN(C)c1cc([C@H]2CCCN(C(=O)CCc3ccnn3C)C2)cc[nH+]1 ZINC000257286486 463763347 /nfs/dbraw/zinc/76/33/47/463763347.db2.gz PLTOHHFMDYVMNQ-INIZCTEOSA-N 1 2 341.459 2.220 40 0 EEABLO c1ccn(-n2c(CN3CCCCC3)nnc2C[NH+]2CCCCC2)c1 ZINC000225150989 464154038 /nfs/dbraw/zinc/15/40/38/464154038.db2.gz AUOPPQQLVPTJTH-UHFFFAOYSA-N 1 2 328.464 2.363 40 0 EEABLO CO[C@H](CNc1cc(N2CCOCC2)nc[nH+]1)c1ccc(F)cc1 ZINC000225480166 464163225 /nfs/dbraw/zinc/16/32/25/464163225.db2.gz NPCAIKJYDLBVOV-OAHLLOKOSA-N 1 2 332.379 2.252 40 0 EEABLO CO[C@H](CNc1cc(N2CCOCC2)[nH+]cn1)c1ccc(F)cc1 ZINC000225480166 464163230 /nfs/dbraw/zinc/16/32/30/464163230.db2.gz NPCAIKJYDLBVOV-OAHLLOKOSA-N 1 2 332.379 2.252 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cn1 ZINC000248135169 464732346 /nfs/dbraw/zinc/73/23/46/464732346.db2.gz OIHHFFSEWCAIRH-ZMSDIMECSA-N 1 2 348.472 2.073 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cn1 ZINC000248135169 464732354 /nfs/dbraw/zinc/73/23/54/464732354.db2.gz OIHHFFSEWCAIRH-ZMSDIMECSA-N 1 2 348.472 2.073 40 0 EEABLO CO[C@H]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000191237482 464805091 /nfs/dbraw/zinc/80/50/91/464805091.db2.gz KMVPOYSLXAMEKY-IRXDYDNUSA-N 1 2 328.416 2.298 40 0 EEABLO C[N@@H+]1CCC[C@H]1c1nc(C(=O)NC[C@H]2CCCO2)c2ccccn21 ZINC000306123161 466486161 /nfs/dbraw/zinc/48/61/61/466486161.db2.gz AFYCQXPNYZVRCQ-HIFRSBDPSA-N 1 2 328.416 2.010 40 0 EEABLO C[N@H+]1CCC[C@H]1c1nc(C(=O)NC[C@H]2CCCO2)c2ccccn21 ZINC000306123161 466486166 /nfs/dbraw/zinc/48/61/66/466486166.db2.gz AFYCQXPNYZVRCQ-HIFRSBDPSA-N 1 2 328.416 2.010 40 0 EEABLO Cc1ccnc(OC[C@@H]2CN(Cc3nccs3)Cc3c[nH+]cn32)n1 ZINC000306125065 466487198 /nfs/dbraw/zinc/48/71/98/466487198.db2.gz CGBDNPAOJSALBI-AWEZNQCLSA-N 1 2 342.428 2.074 40 0 EEABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccoc1)C2)N1CCCC1 ZINC000585103109 468970725 /nfs/dbraw/zinc/97/07/25/468970725.db2.gz QKMDXPPXLVSBAD-INIZCTEOSA-N 1 2 333.432 2.066 40 0 EEABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccoc1)C2)N1CCCC1 ZINC000585103110 468971079 /nfs/dbraw/zinc/97/10/79/468971079.db2.gz QKMDXPPXLVSBAD-MRXNPFEDSA-N 1 2 333.432 2.066 40 0 EEABLO Cn1cnc2c1[C@H](C(=O)NC1CCC1)C[N@H+](Cc1cccs1)C2 ZINC000585110894 468973463 /nfs/dbraw/zinc/97/34/63/468973463.db2.gz VHCKSTBIDXDQLM-CQSZACIVSA-N 1 2 330.457 2.250 40 0 EEABLO Cn1cnc2c1[C@H](C(=O)NC1CCC1)C[N@@H+](Cc1cccs1)C2 ZINC000585110894 468973474 /nfs/dbraw/zinc/97/34/74/468973474.db2.gz VHCKSTBIDXDQLM-CQSZACIVSA-N 1 2 330.457 2.250 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CNC(=O)N(C)C)C2)s1 ZINC000585111775 468975003 /nfs/dbraw/zinc/97/50/03/468975003.db2.gz HBGCPZZOBUQRRM-CQSZACIVSA-N 1 2 333.461 2.081 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CNC(=O)N(C)C)C2)s1 ZINC000585111775 468975006 /nfs/dbraw/zinc/97/50/06/468975006.db2.gz HBGCPZZOBUQRRM-CQSZACIVSA-N 1 2 333.461 2.081 40 0 EEABLO O=C(NCCOc1ncccc1Cl)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000096473497 237061719 /nfs/dbraw/zinc/06/17/19/237061719.db2.gz SBKMIWKRMUTWTC-KGLIPLIRSA-N 1 2 349.822 2.403 40 0 EEABLO CCn1cc(C(=O)N2CC[N@H+](Cc3ccco3)C[C@@H]2C(C)C)cn1 ZINC000072324108 216151135 /nfs/dbraw/zinc/15/11/35/216151135.db2.gz VFPFNTNVXVHNIG-QGZVFWFLSA-N 1 2 330.432 2.479 40 0 EEABLO CCn1cc(C(=O)N2CC[N@@H+](Cc3ccco3)C[C@@H]2C(C)C)cn1 ZINC000072324108 216151137 /nfs/dbraw/zinc/15/11/37/216151137.db2.gz VFPFNTNVXVHNIG-QGZVFWFLSA-N 1 2 330.432 2.479 40 0 EEABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382596 216182586 /nfs/dbraw/zinc/18/25/86/216182586.db2.gz RUQMXQYRBAENDM-CYBMUJFWSA-N 1 2 336.403 2.031 40 0 EEABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382596 216182589 /nfs/dbraw/zinc/18/25/89/216182589.db2.gz RUQMXQYRBAENDM-CYBMUJFWSA-N 1 2 336.403 2.031 40 0 EEABLO CCc1noc(CCC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257219364 244177440 /nfs/dbraw/zinc/17/74/40/244177440.db2.gz DGNOFNLZVYLYIO-CQSZACIVSA-N 1 2 343.431 2.087 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)[nH+]1 ZINC000257211154 244150540 /nfs/dbraw/zinc/15/05/40/244150540.db2.gz BXRZEARANLSZAQ-LBPRGKRZSA-N 1 2 325.459 2.358 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cn3c(C)nc4ccccc43)C2)[nH+]1 ZINC000257257928 244288637 /nfs/dbraw/zinc/28/86/37/244288637.db2.gz KRRMILCVURAKHM-HNNXBMFYSA-N 1 2 337.427 2.403 40 0 EEABLO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019573570 212045272 /nfs/dbraw/zinc/04/52/72/212045272.db2.gz VFYVJXYADLHGDX-CQSZACIVSA-N 1 2 331.441 2.260 40 0 EEABLO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019573570 212045275 /nfs/dbraw/zinc/04/52/75/212045275.db2.gz VFYVJXYADLHGDX-CQSZACIVSA-N 1 2 331.441 2.260 40 0 EEABLO Cc1[nH+]c([C@H]2CCCN(C(=O)c3ccnn3C)C2)c2sccn12 ZINC000019240776 212008528 /nfs/dbraw/zinc/00/85/28/212008528.db2.gz HRKUVJFOIILNPF-LBPRGKRZSA-N 1 2 329.429 2.458 40 0 EEABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCOC)C1 ZINC000012145828 211306626 /nfs/dbraw/zinc/30/66/26/211306626.db2.gz IPHGQDYUTYFMAQ-AWEZNQCLSA-N 1 2 330.432 2.035 40 0 EEABLO Cc1ccccc1C(=O)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000085473322 462550277 /nfs/dbraw/zinc/55/02/77/462550277.db2.gz CQKLRAICHJMBGJ-MRXNPFEDSA-N 1 2 334.485 2.275 40 0 EEABLO COC(=O)c1sccc1C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000088504256 462633774 /nfs/dbraw/zinc/63/37/74/462633774.db2.gz QUAWKSLBFUTKRO-UHFFFAOYSA-N 1 2 347.440 2.257 40 0 EEABLO CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)n[nH]1 ZINC000019709087 463021263 /nfs/dbraw/zinc/02/12/63/463021263.db2.gz LGYIUPIOQRPIPL-QGZVFWFLSA-N 1 2 344.463 2.306 40 0 EEABLO COc1ccc([C@@H]([NH3+])c2nc(CNc3cccc(OC)c3)n[nH]2)cc1 ZINC000095533695 463106615 /nfs/dbraw/zinc/10/66/15/463106615.db2.gz GVRCWORNNLOXLV-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc([C@@H]([NH3+])c2nnc(CNc3cccc(OC)c3)[nH]2)cc1 ZINC000095533695 463106619 /nfs/dbraw/zinc/10/66/19/463106619.db2.gz GVRCWORNNLOXLV-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc([C@@H]([NH3+])c2n[nH]c(CNc3cccc(OC)c3)n2)cc1 ZINC000095533695 463106623 /nfs/dbraw/zinc/10/66/23/463106623.db2.gz GVRCWORNNLOXLV-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO Cc1nc(C)c(CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000078714666 463142858 /nfs/dbraw/zinc/14/28/58/463142858.db2.gz YULBMZBBZGEULV-UHFFFAOYSA-N 1 2 347.488 2.377 40 0 EEABLO CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2c1cnn2C ZINC000096044599 463149511 /nfs/dbraw/zinc/14/95/11/463149511.db2.gz QTBHWTIUJXPZRR-CQSZACIVSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2c1cnn2C ZINC000096044599 463149515 /nfs/dbraw/zinc/14/95/15/463149515.db2.gz QTBHWTIUJXPZRR-CQSZACIVSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000096066811 463164611 /nfs/dbraw/zinc/16/46/11/463164611.db2.gz TWUJBFZQSHXFBJ-OAHLLOKOSA-N 1 2 329.400 2.280 40 0 EEABLO CCOC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000096066811 463164616 /nfs/dbraw/zinc/16/46/16/463164616.db2.gz TWUJBFZQSHXFBJ-OAHLLOKOSA-N 1 2 329.400 2.280 40 0 EEABLO Cc1cc(C(=O)N2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)on1 ZINC000096209241 463211468 /nfs/dbraw/zinc/21/14/68/463211468.db2.gz NVBDWUQUCHNXEL-RDTXWAMCSA-N 1 2 342.399 2.254 40 0 EEABLO O=C(NCCNc1cccc[nH+]1)c1cccc(Nc2cnccn2)c1 ZINC000096415607 463248210 /nfs/dbraw/zinc/24/82/10/463248210.db2.gz IQPOQPGKWSCJPK-UHFFFAOYSA-N 1 2 334.383 2.457 40 0 EEABLO COCc1noc(C[N@@H+]2CCC[C@H](Oc3ccc(Cl)cn3)C2)n1 ZINC000096495617 463288642 /nfs/dbraw/zinc/28/86/42/463288642.db2.gz RGPDHXRGDNIYMG-LBPRGKRZSA-N 1 2 338.795 2.308 40 0 EEABLO COCc1noc(C[N@H+]2CCC[C@H](Oc3ccc(Cl)cn3)C2)n1 ZINC000096495617 463288648 /nfs/dbraw/zinc/28/86/48/463288648.db2.gz RGPDHXRGDNIYMG-LBPRGKRZSA-N 1 2 338.795 2.308 40 0 EEABLO Cc1nn(C)c(C)c1CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000044892987 463699063 /nfs/dbraw/zinc/69/90/63/463699063.db2.gz NUYHIUXIJRDOMW-SFHVURJKSA-N 1 2 337.427 2.219 40 0 EEABLO Cc1ccsc1C(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257295435 463767119 /nfs/dbraw/zinc/76/71/19/463767119.db2.gz QYGQGAMIWWJKGN-KRWDZBQOSA-N 1 2 331.441 2.213 40 0 EEABLO CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257325518 463778272 /nfs/dbraw/zinc/77/82/72/463778272.db2.gz WTHQKKPERQYFSM-MGPQQGTHSA-N 1 2 327.375 2.231 40 0 EEABLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nc(C2CC2)no1 ZINC000195576431 464079862 /nfs/dbraw/zinc/07/98/62/464079862.db2.gz FDNBXGPPQCDNFH-SNVBAGLBSA-N 1 2 325.328 2.446 40 0 EEABLO CCOc1ccc(C[N@@H+]2CCN(C)[C@H](c3nccn3C)C2)cc1F ZINC000279754005 464141622 /nfs/dbraw/zinc/14/16/22/464141622.db2.gz YZKTYUHZMRLAKL-INIZCTEOSA-N 1 2 332.423 2.447 40 0 EEABLO CCOc1ccc(C[N@H+]2CCN(C)[C@H](c3nccn3C)C2)cc1F ZINC000279754005 464141630 /nfs/dbraw/zinc/14/16/30/464141630.db2.gz YZKTYUHZMRLAKL-INIZCTEOSA-N 1 2 332.423 2.447 40 0 EEABLO C[C@H](Oc1cccc(F)c1F)C(=O)N1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000225413424 464158697 /nfs/dbraw/zinc/15/86/97/464158697.db2.gz BJOHSOQGRWEBNB-ZDUSSCGKSA-N 1 2 349.381 2.405 40 0 EEABLO C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)[C@@H]1COc2ccccc21 ZINC000225482857 464165563 /nfs/dbraw/zinc/16/55/63/464165563.db2.gz QTTYDJMOJCYHCF-ZFWWWQNUSA-N 1 2 326.400 2.290 40 0 EEABLO C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)[C@@H]1COc2ccccc21 ZINC000225482857 464165566 /nfs/dbraw/zinc/16/55/66/464165566.db2.gz QTTYDJMOJCYHCF-ZFWWWQNUSA-N 1 2 326.400 2.290 40 0 EEABLO CCC[C@@]12CCCN1C(=O)N([C@@H]1CCN(c3cccc[nH+]3)C1)C2=O ZINC000241161343 464450189 /nfs/dbraw/zinc/45/01/89/464450189.db2.gz JZYLHQAEOGEZIQ-KDOFPFPSSA-N 1 2 328.416 2.257 40 0 EEABLO CCCOc1cccc2c(N3CC[C@H]4OCC(=O)N[C@@H]4C3)cc[nH+]c12 ZINC000252479164 464961181 /nfs/dbraw/zinc/96/11/81/464961181.db2.gz BALGAMXFGUCPAB-GDBMZVCRSA-N 1 2 341.411 2.117 40 0 EEABLO C[C@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000252533208 464981541 /nfs/dbraw/zinc/98/15/41/464981541.db2.gz GFZVOUANMSPHAY-QWRGUYRKSA-N 1 2 326.359 2.241 40 0 EEABLO C[C@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000252533208 464981547 /nfs/dbraw/zinc/98/15/47/464981547.db2.gz GFZVOUANMSPHAY-QWRGUYRKSA-N 1 2 326.359 2.241 40 0 EEABLO COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000253433448 465015235 /nfs/dbraw/zinc/01/52/35/465015235.db2.gz XAKCTFSWKCSZIK-KKUMJFAQSA-N 1 2 333.432 2.165 40 0 EEABLO COc1cc(F)ccc1N1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000302919258 466213823 /nfs/dbraw/zinc/21/38/23/466213823.db2.gz YHZJKTWOFYJNLF-UHFFFAOYSA-N 1 2 337.786 2.187 40 0 EEABLO COc1cc(F)ccc1N1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000302919258 466213833 /nfs/dbraw/zinc/21/38/33/466213833.db2.gz YHZJKTWOFYJNLF-UHFFFAOYSA-N 1 2 337.786 2.187 40 0 EEABLO COc1cccc([C@@H]2CO[C@]3(C2)C[N@@H+](Cc2c[nH]cn2)C[C@H]3OC)c1 ZINC000585290960 469010893 /nfs/dbraw/zinc/01/08/93/469010893.db2.gz JKINBRTYJFWUBR-KFKAGJAMSA-N 1 2 343.427 2.192 40 0 EEABLO COc1cccc([C@@H]2CO[C@]3(C2)C[N@H+](Cc2c[nH]cn2)C[C@H]3OC)c1 ZINC000585290960 469010902 /nfs/dbraw/zinc/01/09/02/469010902.db2.gz JKINBRTYJFWUBR-KFKAGJAMSA-N 1 2 343.427 2.192 40 0 EEABLO COc1cccc([C@@H]2CO[C@]3(C2)C[N@@H+](Cc2cnc[nH]2)C[C@H]3OC)c1 ZINC000585290960 469010911 /nfs/dbraw/zinc/01/09/11/469010911.db2.gz JKINBRTYJFWUBR-KFKAGJAMSA-N 1 2 343.427 2.192 40 0 EEABLO COc1cccc([C@@H]2CO[C@]3(C2)C[N@H+](Cc2cnc[nH]2)C[C@H]3OC)c1 ZINC000585290960 469010917 /nfs/dbraw/zinc/01/09/17/469010917.db2.gz JKINBRTYJFWUBR-KFKAGJAMSA-N 1 2 343.427 2.192 40 0 EEABLO COC(=O)[C@@H](c1ccccc1F)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000072558433 202365597 /nfs/dbraw/zinc/36/55/97/202365597.db2.gz OXCWNPYPMUXKSO-QGZVFWFLSA-N 1 2 347.390 2.154 40 0 EEABLO COc1cccc(-c2cnc(C[N@@H+]3CCCC[C@H]3CNC(N)=O)o2)c1 ZINC000075683050 202382228 /nfs/dbraw/zinc/38/22/28/202382228.db2.gz XBYLUBFRCPKFKH-AWEZNQCLSA-N 1 2 344.415 2.373 40 0 EEABLO COc1cccc(-c2cnc(C[N@H+]3CCCC[C@H]3CNC(N)=O)o2)c1 ZINC000075683050 202382232 /nfs/dbraw/zinc/38/22/32/202382232.db2.gz XBYLUBFRCPKFKH-AWEZNQCLSA-N 1 2 344.415 2.373 40 0 EEABLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000077442485 202393460 /nfs/dbraw/zinc/39/34/60/202393460.db2.gz IRZRPJOASCILGV-GFCCVEGCSA-N 1 2 344.431 2.369 40 0 EEABLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000077442485 202393464 /nfs/dbraw/zinc/39/34/64/202393464.db2.gz IRZRPJOASCILGV-GFCCVEGCSA-N 1 2 344.431 2.369 40 0 EEABLO Cc1csc([C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000225477681 241884944 /nfs/dbraw/zinc/88/49/44/241884944.db2.gz YSIVVSTYQDORDY-AWEZNQCLSA-N 1 2 345.472 2.462 40 0 EEABLO Cc1csc([C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000225477681 241884952 /nfs/dbraw/zinc/88/49/52/241884952.db2.gz YSIVVSTYQDORDY-AWEZNQCLSA-N 1 2 345.472 2.462 40 0 EEABLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)S(=O)(=O)C1CC1 ZINC000225754837 242021266 /nfs/dbraw/zinc/02/12/66/242021266.db2.gz LAQHLUQSYJKGIA-RYUDHWBXSA-N 1 2 332.466 2.085 40 0 EEABLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)S(=O)(=O)C1CC1 ZINC000225754837 242021271 /nfs/dbraw/zinc/02/12/71/242021271.db2.gz LAQHLUQSYJKGIA-RYUDHWBXSA-N 1 2 332.466 2.085 40 0 EEABLO O=C(c1ccncc1)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000247857281 243467740 /nfs/dbraw/zinc/46/77/40/243467740.db2.gz KZBPVBJQAPWHMD-INIZCTEOSA-N 1 2 338.411 2.210 40 0 EEABLO Cc1nc2ccccn2c1CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257214444 244162645 /nfs/dbraw/zinc/16/26/45/244162645.db2.gz CMAGRUUFJAOIPO-MRXNPFEDSA-N 1 2 349.438 2.365 40 0 EEABLO Cc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)s1 ZINC000257231303 244212249 /nfs/dbraw/zinc/21/22/49/244212249.db2.gz GGCPPCBKMVXRRB-KRWDZBQOSA-N 1 2 331.441 2.165 40 0 EEABLO Cc1cccc(Oc2nccnc2C2CC[NH+](CC(N)=O)CC2)c1 ZINC000072361848 203206369 /nfs/dbraw/zinc/20/63/69/203206369.db2.gz HNAMYVDHIHCVSQ-UHFFFAOYSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1cc2cc3c(nc2cc1C)OC(=O)N(CC[NH+]1CCOCC1)C3 ZINC000072396359 203213197 /nfs/dbraw/zinc/21/31/97/203213197.db2.gz ZWSMEYBQXHUKKP-UHFFFAOYSA-N 1 2 341.411 2.498 40 0 EEABLO Cc1n[nH]c(C)c1CC(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257271541 244378444 /nfs/dbraw/zinc/37/84/44/244378444.db2.gz MYSVCWLGXYNIMB-HNNXBMFYSA-N 1 2 327.432 2.091 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000257277862 244397732 /nfs/dbraw/zinc/39/77/32/244397732.db2.gz NZVNUQBIZSJDKB-LBPRGKRZSA-N 1 2 339.486 2.329 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000257277862 244397735 /nfs/dbraw/zinc/39/77/35/244397735.db2.gz NZVNUQBIZSJDKB-LBPRGKRZSA-N 1 2 339.486 2.329 40 0 EEABLO COc1cc(OC)cc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000130815829 205259275 /nfs/dbraw/zinc/25/92/75/205259275.db2.gz DWGCBSKWJVMBTE-HNNXBMFYSA-N 1 2 341.411 2.498 40 0 EEABLO Cc1occc1C(=O)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306143881 257926190 /nfs/dbraw/zinc/92/61/90/257926190.db2.gz YPKBFWFJVRQCQI-NUEKZKHPSA-N 1 2 327.384 2.182 40 0 EEABLO CC1(C)C[NH+]=C(N2CCN(c3ccc4nccnc4n3)CC2)S1 ZINC000095412164 276137564 /nfs/dbraw/zinc/13/75/64/276137564.db2.gz AHKZGCAENLCVAQ-UHFFFAOYSA-N 1 2 328.445 2.028 40 0 EEABLO COc1ccc(C)cc1CC(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257224834 295104516 /nfs/dbraw/zinc/10/45/16/295104516.db2.gz FDPZIVLYWNWMDT-OAHLLOKOSA-N 1 2 329.400 2.178 40 0 EEABLO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c[nH]1 ZINC000095450786 301065028 /nfs/dbraw/zinc/06/50/28/301065028.db2.gz ATMUPEZHDUPUKF-NVXWUHKLSA-N 1 2 347.365 2.137 40 0 EEABLO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c[nH]1 ZINC000095450786 301065030 /nfs/dbraw/zinc/06/50/30/301065030.db2.gz ATMUPEZHDUPUKF-NVXWUHKLSA-N 1 2 347.365 2.137 40 0 EEABLO CCOc1ccccc1C(=O)N1CC[NH+](C[C@H](O)c2ccco2)CC1 ZINC000085436737 462547960 /nfs/dbraw/zinc/54/79/60/462547960.db2.gz VEWQCFCDOPFCIE-INIZCTEOSA-N 1 2 344.411 2.170 40 0 EEABLO O=C(CCn1ccc2ccncc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000012670988 462862443 /nfs/dbraw/zinc/86/24/43/462862443.db2.gz HHEZYUXSCKFFGM-UHFFFAOYSA-N 1 2 349.438 2.166 40 0 EEABLO c1cc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096229455 463223315 /nfs/dbraw/zinc/22/33/15/463223315.db2.gz ZWLCAUUAXZOPDO-GOSISDBHSA-N 1 2 345.468 2.251 40 0 EEABLO c1cc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096229455 463223320 /nfs/dbraw/zinc/22/33/20/463223320.db2.gz ZWLCAUUAXZOPDO-GOSISDBHSA-N 1 2 345.468 2.251 40 0 EEABLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000096441552 463266856 /nfs/dbraw/zinc/26/68/56/463266856.db2.gz YTNPOFKGZYZGJS-CQSZACIVSA-N 1 2 349.862 2.168 40 0 EEABLO COc1ccc(C[NH+]2CCN(C)CC2)cc1NCc1cccnc1 ZINC000096482869 463281483 /nfs/dbraw/zinc/28/14/83/463281483.db2.gz YOWLMPXHYNLDFM-UHFFFAOYSA-N 1 2 326.444 2.450 40 0 EEABLO C[C@@H](c1ccccn1)[N@H+](CC(=O)N1CCNC1=O)Cc1ccccc1 ZINC000096497132 463290691 /nfs/dbraw/zinc/29/06/91/463290691.db2.gz GNBSVVCUKZJRAS-HNNXBMFYSA-N 1 2 338.411 2.197 40 0 EEABLO C[C@@H](c1ccccn1)[N@@H+](CC(=O)N1CCNC1=O)Cc1ccccc1 ZINC000096497132 463290692 /nfs/dbraw/zinc/29/06/92/463290692.db2.gz GNBSVVCUKZJRAS-HNNXBMFYSA-N 1 2 338.411 2.197 40 0 EEABLO CC(C)(O)[C@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000096502789 463292997 /nfs/dbraw/zinc/29/29/97/463292997.db2.gz JTQMJIAXLDVJAQ-QGZVFWFLSA-N 1 2 342.443 2.376 40 0 EEABLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000097228038 463349811 /nfs/dbraw/zinc/34/98/11/463349811.db2.gz NOVPDNXEKPHGGR-SMDDNHRTSA-N 1 2 326.322 2.327 40 0 EEABLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000097228038 463349813 /nfs/dbraw/zinc/34/98/13/463349813.db2.gz NOVPDNXEKPHGGR-SMDDNHRTSA-N 1 2 326.322 2.327 40 0 EEABLO COc1ccc([C@H](C)[NH2+]Cc2ncnn2C)c(Br)c1 ZINC000097230991 463351555 /nfs/dbraw/zinc/35/15/55/463351555.db2.gz LVRPLBULTDONEN-VIFPVBQESA-N 1 2 325.210 2.437 40 0 EEABLO O=C(c1ccoc1)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000097953502 463366286 /nfs/dbraw/zinc/36/62/86/463366286.db2.gz GAMZDSJVMVXNDB-LXZKKBNFSA-N 1 2 327.384 2.406 40 0 EEABLO CN(C)c1cc([C@H]2CCCN2C(=O)Cn2cc(Cl)cn2)cc[nH+]1 ZINC000257284722 463760964 /nfs/dbraw/zinc/76/09/64/463760964.db2.gz PDZGQTFGTHJYLB-CQSZACIVSA-N 1 2 333.823 2.361 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCn3cnc4ccccc43)C2)[nH+]1 ZINC000257318807 463775765 /nfs/dbraw/zinc/77/57/65/463775765.db2.gz VPLWKDNOAAGAPV-HNNXBMFYSA-N 1 2 337.427 2.484 40 0 EEABLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000195539863 464073659 /nfs/dbraw/zinc/07/36/59/464073659.db2.gz NOVPDNXEKPHGGR-RISCZKNCSA-N 1 2 326.322 2.327 40 0 EEABLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000195539863 464073662 /nfs/dbraw/zinc/07/36/62/464073662.db2.gz NOVPDNXEKPHGGR-RISCZKNCSA-N 1 2 326.322 2.327 40 0 EEABLO COCCN(C[C@H]1CC=CCC1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000225492170 464166898 /nfs/dbraw/zinc/16/68/98/464166898.db2.gz WGDOSDBVUXSULY-INIZCTEOSA-N 1 2 332.448 2.122 40 0 EEABLO COCCN(C[C@H]1CC=CCC1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000225492170 464166903 /nfs/dbraw/zinc/16/69/03/464166903.db2.gz WGDOSDBVUXSULY-INIZCTEOSA-N 1 2 332.448 2.122 40 0 EEABLO COc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccn2)CCO3)cc1 ZINC000247916627 464713793 /nfs/dbraw/zinc/71/37/93/464713793.db2.gz WHPGJTPKLSOUNA-KRWDZBQOSA-N 1 2 341.411 2.298 40 0 EEABLO CCn1cc([C@H]2C[N@H+](Cc3cccc(C(=O)N(C)C)c3)CCO2)cn1 ZINC000190813945 464725228 /nfs/dbraw/zinc/72/52/28/464725228.db2.gz HUHBCNWAOSQDKC-GOSISDBHSA-N 1 2 342.443 2.178 40 0 EEABLO CCn1cc([C@H]2C[N@@H+](Cc3cccc(C(=O)N(C)C)c3)CCO2)cn1 ZINC000190813945 464725232 /nfs/dbraw/zinc/72/52/32/464725232.db2.gz HUHBCNWAOSQDKC-GOSISDBHSA-N 1 2 342.443 2.178 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CS3)n(C)n1 ZINC000248075620 464728285 /nfs/dbraw/zinc/72/82/85/464728285.db2.gz YVCGCQYCMPGMPG-HNNXBMFYSA-N 1 2 330.457 2.262 40 0 EEABLO CCc1c(NC(=O)[C@H]2C[N@H+](C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000192131292 464872274 /nfs/dbraw/zinc/87/22/74/464872274.db2.gz YHOZFFCCHXTQHD-MRXNPFEDSA-N 1 2 348.834 2.357 40 0 EEABLO CCc1c(NC(=O)[C@H]2C[N@@H+](C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000192131292 464872276 /nfs/dbraw/zinc/87/22/76/464872276.db2.gz YHOZFFCCHXTQHD-MRXNPFEDSA-N 1 2 348.834 2.357 40 0 EEABLO COC(=O)[C@H](c1ccsc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000253396391 465000185 /nfs/dbraw/zinc/00/01/85/465000185.db2.gz BJPRTZVZIAVYKD-HOTGVXAUSA-N 1 2 338.473 2.149 40 0 EEABLO CC(C)(C)c1nnc(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000253431915 465014325 /nfs/dbraw/zinc/01/43/25/465014325.db2.gz VINGDECFYAKSQG-LBPRGKRZSA-N 1 2 348.476 2.406 40 0 EEABLO Cc1cc(NCc2ncn(-c3ccccc3)n2)nc(-c2cccnc2)[nH+]1 ZINC000338823990 466405798 /nfs/dbraw/zinc/40/57/98/466405798.db2.gz IAAGYSUABHMBDH-UHFFFAOYSA-N 1 2 343.394 3.040 40 0 EEABLO CCOCCCNC(=O)c1nc([C@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306143674 466494508 /nfs/dbraw/zinc/49/45/08/466494508.db2.gz YINFLUJNJHIROH-OAHLLOKOSA-N 1 2 330.432 2.257 40 0 EEABLO CCOCCCNC(=O)c1nc([C@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306143674 466494513 /nfs/dbraw/zinc/49/45/13/466494513.db2.gz YINFLUJNJHIROH-OAHLLOKOSA-N 1 2 330.432 2.257 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)no1 ZINC000585104094 468971625 /nfs/dbraw/zinc/97/16/25/468971625.db2.gz FXKYIFSAPIJNKO-INIZCTEOSA-N 1 2 338.473 2.486 40 0 EEABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)C1CC1 ZINC000585112264 468974520 /nfs/dbraw/zinc/97/45/20/468974520.db2.gz MDFSSEOHPUWBBZ-OAHLLOKOSA-N 1 2 330.457 2.418 40 0 EEABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)C1CC1 ZINC000585112264 468974529 /nfs/dbraw/zinc/97/45/29/468974529.db2.gz MDFSSEOHPUWBBZ-OAHLLOKOSA-N 1 2 330.457 2.418 40 0 EEABLO O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000274913499 539703135 /nfs/dbraw/zinc/70/31/35/539703135.db2.gz YGMPSFODIWYXAY-LBPRGKRZSA-N 1 2 348.453 2.346 40 0 EEABLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)C1CC1 ZINC000585123240 539980669 /nfs/dbraw/zinc/98/06/69/539980669.db2.gz KVDIOIZDDCWMBO-OAGGEKHMSA-N 1 2 341.415 2.096 40 0 EEABLO CCOc1cc(C(=O)NCCCn2cc[nH+]c2)nn1-c1ccccc1 ZINC000072264724 202358911 /nfs/dbraw/zinc/35/89/11/202358911.db2.gz SSPMBZMCXHZBRO-UHFFFAOYSA-N 1 2 339.399 2.288 40 0 EEABLO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000075968549 202380127 /nfs/dbraw/zinc/38/01/27/202380127.db2.gz HVMMXTQWIHMYBM-UHFFFAOYSA-N 1 2 332.429 2.037 40 0 EEABLO COc1ccsc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000078556971 202397327 /nfs/dbraw/zinc/39/73/27/202397327.db2.gz DINPWDARGVZQCC-VXGBXAGGSA-N 1 2 326.462 2.374 40 0 EEABLO CCc1nnc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)[nH]1 ZINC000195567075 241014612 /nfs/dbraw/zinc/01/46/12/241014612.db2.gz VFPGWJAIHCZVTM-QGZVFWFLSA-N 1 2 335.452 2.200 40 0 EEABLO CCc1nnc(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)[nH]1 ZINC000195567075 241014618 /nfs/dbraw/zinc/01/46/18/241014618.db2.gz VFPGWJAIHCZVTM-QGZVFWFLSA-N 1 2 335.452 2.200 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000257223213 244192953 /nfs/dbraw/zinc/19/29/53/244192953.db2.gz DWKDYUSXLJNFMV-GFCCVEGCSA-N 1 2 325.459 2.254 40 0 EEABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000257223213 244192962 /nfs/dbraw/zinc/19/29/62/244192962.db2.gz DWKDYUSXLJNFMV-GFCCVEGCSA-N 1 2 325.459 2.254 40 0 EEABLO Cc1ccnn1CCC(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257224093 244195132 /nfs/dbraw/zinc/19/51/32/244195132.db2.gz FAGSYBAOWRWYFX-INIZCTEOSA-N 1 2 327.432 2.406 40 0 EEABLO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257230016 244211618 /nfs/dbraw/zinc/21/16/18/244211618.db2.gz GAKBPXQCBSJGKF-MRXNPFEDSA-N 1 2 327.432 2.394 40 0 EEABLO Cc1nc(C[N@@H+]2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)no1 ZINC000072387343 203211564 /nfs/dbraw/zinc/21/15/64/203211564.db2.gz ANPVMTVSSZZGQN-OAHLLOKOSA-N 1 2 342.447 2.223 40 0 EEABLO Cc1nc(C[N@H+]2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)no1 ZINC000072387343 203211568 /nfs/dbraw/zinc/21/15/68/203211568.db2.gz ANPVMTVSSZZGQN-OAHLLOKOSA-N 1 2 342.447 2.223 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)[nH+]1 ZINC000257244895 244254106 /nfs/dbraw/zinc/25/41/06/244254106.db2.gz INGTXRQVRCLYFI-CQSZACIVSA-N 1 2 325.416 2.416 40 0 EEABLO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2csc(C)n2)n1 ZINC000072387959 203212250 /nfs/dbraw/zinc/21/22/50/203212250.db2.gz GXUHLZMUPMGMFB-MRXNPFEDSA-N 1 2 331.445 2.215 40 0 EEABLO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2csc(C)n2)n1 ZINC000072387959 203212254 /nfs/dbraw/zinc/21/22/54/203212254.db2.gz GXUHLZMUPMGMFB-MRXNPFEDSA-N 1 2 331.445 2.215 40 0 EEABLO NC(=O)C[NH+]1CCC(c2nccnc2Oc2cccc(F)c2)CC1 ZINC000072361817 203206642 /nfs/dbraw/zinc/20/66/42/203206642.db2.gz WPZLKCCQNAQQOH-UHFFFAOYSA-N 1 2 330.363 2.073 40 0 EEABLO CCN(CC)S(=O)(=O)N1CCC[C@H]1CCc1cc[nH+]c(C)c1 ZINC000257271534 244380931 /nfs/dbraw/zinc/38/09/31/244380931.db2.gz MYSFXRCKIQSZRN-INIZCTEOSA-N 1 2 325.478 2.374 40 0 EEABLO CNC(=O)C1(CCCc2cnccn2)CCN(c2cccc[nH+]2)CC1 ZINC000257274565 244389134 /nfs/dbraw/zinc/38/91/34/244389134.db2.gz NLPCTONFHCGDJL-UHFFFAOYSA-N 1 2 339.443 2.227 40 0 EEABLO C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000012529778 207165752 /nfs/dbraw/zinc/16/57/52/207165752.db2.gz OUHQAXMZTIAMDJ-AAEUAGOBSA-N 1 2 329.404 2.039 40 0 biogenic,in-vitro EEABLO C[N@H+]1C[C@@H](NC(=O)C(C)(C)C)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000012529778 207165757 /nfs/dbraw/zinc/16/57/57/207165757.db2.gz OUHQAXMZTIAMDJ-AAEUAGOBSA-N 1 2 329.404 2.039 40 0 biogenic,in-vitro EEABLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000053812757 132189047 /nfs/dbraw/zinc/18/90/47/132189047.db2.gz FXRUVFLAWUYJGN-UHFFFAOYSA-N 1 2 327.432 2.096 40 0 EEABLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1 ZINC000257249982 295394309 /nfs/dbraw/zinc/39/43/09/295394309.db2.gz JKNGVXOHNRTLIZ-INIZCTEOSA-N 1 2 332.425 2.030 40 0 EEABLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)nn1C ZINC000019119111 463014804 /nfs/dbraw/zinc/01/48/04/463014804.db2.gz ZXJZPGORNBLNKQ-UHFFFAOYSA-N 1 2 346.406 2.350 40 0 EEABLO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)o1 ZINC000096049142 463153722 /nfs/dbraw/zinc/15/37/22/463153722.db2.gz ABYOYRUFYXATJE-SFHVURJKSA-N 1 2 328.416 2.249 40 0 EEABLO Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)o1 ZINC000096049142 463153723 /nfs/dbraw/zinc/15/37/23/463153723.db2.gz ABYOYRUFYXATJE-SFHVURJKSA-N 1 2 328.416 2.249 40 0 EEABLO COc1cccc(C[C@H](C)NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000079035974 463181791 /nfs/dbraw/zinc/18/17/91/463181791.db2.gz LKEXOTZZZGOCRP-HNNXBMFYSA-N 1 2 349.475 2.036 40 0 EEABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@@H](COCc2cccnc2)C1 ZINC000096188085 463200308 /nfs/dbraw/zinc/20/03/08/463200308.db2.gz WIAYSRKVPOVCFK-QGZVFWFLSA-N 1 2 340.427 2.253 40 0 EEABLO COCCN1CCN(C(=O)Cc2ccsc2)Cc2ccc[nH+]c21 ZINC000096198864 463204977 /nfs/dbraw/zinc/20/49/77/463204977.db2.gz OZMGUBPLTSCSFD-UHFFFAOYSA-N 1 2 331.441 2.181 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)S1 ZINC000096443766 463268570 /nfs/dbraw/zinc/26/85/70/463268570.db2.gz 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ZINC000257327489 463779552 /nfs/dbraw/zinc/77/95/52/463779552.db2.gz XBNUFOSVQQLUFB-MRXNPFEDSA-N 1 2 329.448 2.338 40 0 EEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)C2(c3ccccc3F)CC2)[nH+]1 ZINC000257337350 463784382 /nfs/dbraw/zinc/78/43/82/463784382.db2.gz YSLNCVGNFFTKGL-OAHLLOKOSA-N 1 2 329.375 2.489 40 0 EEABLO C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)[C@H]1COc2ccccc21 ZINC000225482910 464165253 /nfs/dbraw/zinc/16/52/53/464165253.db2.gz QTTYDJMOJCYHCF-DZGCQCFKSA-N 1 2 326.400 2.290 40 0 EEABLO C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)[C@H]1COc2ccccc21 ZINC000225482910 464165257 /nfs/dbraw/zinc/16/52/57/464165257.db2.gz QTTYDJMOJCYHCF-DZGCQCFKSA-N 1 2 326.400 2.290 40 0 EEABLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000225545163 464170501 /nfs/dbraw/zinc/17/05/01/464170501.db2.gz KUJZOLGCCWVGBO-KGLIPLIRSA-N 1 2 334.468 2.217 40 0 EEABLO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000225545163 464170504 /nfs/dbraw/zinc/17/05/04/464170504.db2.gz KUJZOLGCCWVGBO-KGLIPLIRSA-N 1 2 334.468 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464685455 /nfs/dbraw/zinc/68/54/55/464685455.db2.gz LVNNOTDGGPRCMR-ZOBUZTSGSA-N 1 2 330.384 2.282 40 0 EEABLO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccoc1)c1ccco1 ZINC000247489343 464685457 /nfs/dbraw/zinc/68/54/57/464685457.db2.gz LVNNOTDGGPRCMR-ZOBUZTSGSA-N 1 2 330.384 2.282 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CS3)n(C)n1 ZINC000248039768 464725091 /nfs/dbraw/zinc/72/50/91/464725091.db2.gz NYYQMINFRRJBEH-INIZCTEOSA-N 1 2 330.457 2.262 40 0 EEABLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249574971 464891869 /nfs/dbraw/zinc/89/18/69/464891869.db2.gz ABHYOYNAXAHRGT-RCCFBDPRSA-N 1 2 340.427 2.298 40 0 EEABLO CC[C@@H](C(=O)N1CCCC[C@@H]1c1ncc[nH]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000252493727 464968316 /nfs/dbraw/zinc/96/83/16/464968316.db2.gz NFLMZBXGTURPAT-OWCLPIDISA-N 1 2 334.464 2.353 40 0 EEABLO CC[C@@H](C(=O)N1CCCC[C@@H]1c1ncc[nH]1)[N@H+]1CCO[C@H](CC)C1 ZINC000252493727 464968321 /nfs/dbraw/zinc/96/83/21/464968321.db2.gz NFLMZBXGTURPAT-OWCLPIDISA-N 1 2 334.464 2.353 40 0 EEABLO Cc1cc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)nc[nH+]1 ZINC000302726103 466173424 /nfs/dbraw/zinc/17/34/24/466173424.db2.gz SBSJYCAXEBFTRC-UHFFFAOYSA-N 1 2 344.366 2.372 40 0 EEABLO O=C(N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1)C1(F)CCC1 ZINC000585113547 468975808 /nfs/dbraw/zinc/97/58/08/468975808.db2.gz HYLLJIGYEBGVDA-QGZVFWFLSA-N 1 2 333.407 2.029 40 0 EEABLO Cc1nc(N2CCO[C@](CO)(Cc3ccc(Cl)cc3)C2)cc[nH+]1 ZINC000585275230 468999507 /nfs/dbraw/zinc/99/95/07/468999507.db2.gz AUPWIMHKERNFPV-QGZVFWFLSA-N 1 2 333.819 2.249 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)c3ccc(C)[nH]c3=O)CC[N@@H+]2C)cc1 ZINC000257240907 536944625 /nfs/dbraw/zinc/94/46/25/536944625.db2.gz HVQZNQCWZDMEFL-QGZVFWFLSA-N 1 2 341.411 2.233 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)c3ccc(C)[nH]c3=O)CC[N@H+]2C)cc1 ZINC000257240907 536944629 /nfs/dbraw/zinc/94/46/29/536944629.db2.gz HVQZNQCWZDMEFL-QGZVFWFLSA-N 1 2 341.411 2.233 40 0 EEABLO C[N@@H+]1CCc2ncnc(NCCc3ccnn3-c3ccccc3)c2C1 ZINC001548453814 1124296086 /nfs/dbraw/zinc/29/60/86/1124296086.db2.gz KRQFOAXNBSDIIU-UHFFFAOYSA-N 1 2 334.427 2.305 40 0 EEABLO C[N@H+]1CCc2ncnc(NCCc3ccnn3-c3ccccc3)c2C1 ZINC001548453814 1124296091 /nfs/dbraw/zinc/29/60/91/1124296091.db2.gz KRQFOAXNBSDIIU-UHFFFAOYSA-N 1 2 334.427 2.305 40 0 EEABLO CN(C)c1[nH+]cccc1NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000078066583 202394558 /nfs/dbraw/zinc/39/45/58/202394558.db2.gz IFWBGVVHOUUPAF-UHFFFAOYSA-N 1 2 326.335 2.120 40 0 EEABLO Cc1cc(Nc2cnccn2)nc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382601 203210673 /nfs/dbraw/zinc/21/06/73/203210673.db2.gz GXNDZVZSCIYUIN-ZDUSSCGKSA-N 1 2 336.403 2.031 40 0 EEABLO Cc1cc(Nc2cnccn2)nc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382601 203210675 /nfs/dbraw/zinc/21/06/75/203210675.db2.gz GXNDZVZSCIYUIN-ZDUSSCGKSA-N 1 2 336.403 2.031 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)[nH+]1 ZINC000257244894 244254117 /nfs/dbraw/zinc/25/41/17/244254117.db2.gz INGTXRQVRCLYFI-AWEZNQCLSA-N 1 2 325.416 2.416 40 0 EEABLO COc1ccccc1[C@@H]1C[N@H+](Cc2ccncc2)CCN1C(C)=O ZINC000257235742 244229598 /nfs/dbraw/zinc/22/95/98/244229598.db2.gz GZEMTTCODJIVAU-SFHVURJKSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccncc2)CCN1C(C)=O ZINC000257235742 244229607 /nfs/dbraw/zinc/22/96/07/244229607.db2.gz GZEMTTCODJIVAU-SFHVURJKSA-N 1 2 325.412 2.496 40 0 EEABLO Cc1cccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)n1 ZINC000072335531 203202343 /nfs/dbraw/zinc/20/23/43/203202343.db2.gz ICDHUANOHIGKLE-UHFFFAOYSA-N 1 2 339.443 2.022 40 0 EEABLO Cc1cccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)n1 ZINC000072335531 203202346 /nfs/dbraw/zinc/20/23/46/203202346.db2.gz ICDHUANOHIGKLE-UHFFFAOYSA-N 1 2 339.443 2.022 40 0 EEABLO CCOC[C@H]1CN(C(=O)N2CCCC2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060345 286181141 /nfs/dbraw/zinc/18/11/41/286181141.db2.gz CZNYQUHOBQJYFY-OAHLLOKOSA-N 1 2 332.448 2.445 40 0 EEABLO C1Cc2[nH+]c(N3CCSCC3)nc(N3CCSCC3)c2S1 ZINC000283398068 275415269 /nfs/dbraw/zinc/41/52/69/275415269.db2.gz ACLZLBUUXZCYBW-UHFFFAOYSA-N 1 2 340.543 2.231 40 0 EEABLO Cc1noc(CN2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000097099767 323320492 /nfs/dbraw/zinc/32/04/92/323320492.db2.gz ANJYNFJKTUSQEY-UHFFFAOYSA-N 1 2 328.416 2.077 40 0 EEABLO O=C(c1cccc(F)c1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000085473334 462549978 /nfs/dbraw/zinc/54/99/78/462549978.db2.gz NCICFRJBKJHSNK-MRXNPFEDSA-N 1 2 338.448 2.106 40 0 EEABLO CCOC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2[nH+]cn(C)c21 ZINC000096044825 463148815 /nfs/dbraw/zinc/14/88/15/463148815.db2.gz VQLGHIRKZUOHII-CQSZACIVSA-N 1 2 349.456 2.053 40 0 EEABLO Cc1cc(C)n(-c2ccc(C(=O)NCCn3cc[nH+]c3)cc2F)n1 ZINC000078989410 463176502 /nfs/dbraw/zinc/17/65/02/463176502.db2.gz MVPPTQMBBMZKHB-UHFFFAOYSA-N 1 2 327.363 2.255 40 0 EEABLO O=C(NC1CCCC1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187934 463200039 /nfs/dbraw/zinc/20/00/39/463200039.db2.gz PMCFRGKAJBDKCU-OAHLLOKOSA-N 1 2 332.448 2.394 40 0 EEABLO C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000079351789 463208666 /nfs/dbraw/zinc/20/86/66/463208666.db2.gz JFLYSOSYYFAMHM-GXTWGEPZSA-N 1 2 344.390 2.437 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccncc1)c1ccco1 ZINC000096250308 463227666 /nfs/dbraw/zinc/22/76/66/463227666.db2.gz FEMMUBDUJPRRRE-LZLYRXPVSA-N 1 2 341.411 2.084 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccncc1)c1ccco1 ZINC000096250308 463227668 /nfs/dbraw/zinc/22/76/68/463227668.db2.gz FEMMUBDUJPRRRE-LZLYRXPVSA-N 1 2 341.411 2.084 40 0 EEABLO C[S@@](=O)c1cccc(NC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000096410690 463243446 /nfs/dbraw/zinc/24/34/46/463243446.db2.gz NGOFBNMFVLAKRM-DEOSSOPVSA-N 1 2 342.424 2.436 40 0 EEABLO Cc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n[nH]c1C1CC1 ZINC000096420756 463251877 /nfs/dbraw/zinc/25/18/77/463251877.db2.gz MLSQKCZOOAVVRM-INIZCTEOSA-N 1 2 340.427 2.435 40 0 EEABLO Cc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n[nH]c1C1CC1 ZINC000096420756 463251880 /nfs/dbraw/zinc/25/18/80/463251880.db2.gz MLSQKCZOOAVVRM-INIZCTEOSA-N 1 2 340.427 2.435 40 0 EEABLO O=C(CC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1)c1ccccc1 ZINC000096495569 463289034 /nfs/dbraw/zinc/28/90/34/463289034.db2.gz CFWCQMLRGJKQSH-UHFFFAOYSA-N 1 2 338.407 2.423 40 0 EEABLO NC(=O)[C@@]1(CCCc2cnccn2)CC[N@@H+]1Cc1ccccc1F ZINC000257279466 463759754 /nfs/dbraw/zinc/75/97/54/463759754.db2.gz OGUDSGWSPYGCPG-GOSISDBHSA-N 1 2 328.391 2.068 40 0 EEABLO NC(=O)[C@@]1(CCCc2cnccn2)CC[N@H+]1Cc1ccccc1F ZINC000257279466 463759767 /nfs/dbraw/zinc/75/97/67/463759767.db2.gz OGUDSGWSPYGCPG-GOSISDBHSA-N 1 2 328.391 2.068 40 0 EEABLO Cc1n[nH]c(C)c1CCC(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257297415 463767382 /nfs/dbraw/zinc/76/73/82/463767382.db2.gz RHEBUQOXFCJOKE-INIZCTEOSA-N 1 2 341.459 2.482 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CC[N@@H+]2C)cc1 ZINC000257300634 463768918 /nfs/dbraw/zinc/76/89/18/463768918.db2.gz RVDFTMIPOXJHLW-SFHVURJKSA-N 1 2 342.443 2.093 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CC[N@H+]2C)cc1 ZINC000257300634 463768922 /nfs/dbraw/zinc/76/89/22/463768922.db2.gz RVDFTMIPOXJHLW-SFHVURJKSA-N 1 2 342.443 2.093 40 0 EEABLO Cc1csc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)c1 ZINC000257300437 463769127 /nfs/dbraw/zinc/76/91/27/463769127.db2.gz RUGLMQGTXYGJLX-KRWDZBQOSA-N 1 2 331.441 2.165 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257313361 463773335 /nfs/dbraw/zinc/77/33/35/463773335.db2.gz USBZBTLLANIPGS-ZHALLVOQSA-N 1 2 343.427 2.141 40 0 EEABLO O=C(CCC1CCCC1)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257340541 463786158 /nfs/dbraw/zinc/78/61/58/463786158.db2.gz ZGQGBUNGFIHJMJ-IBGZPJMESA-N 1 2 331.460 2.500 40 0 EEABLO CCOc1ccc(C(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1 ZINC000224348484 464151528 /nfs/dbraw/zinc/15/15/28/464151528.db2.gz QYQGBUHFQIWTOF-UHFFFAOYSA-N 1 2 329.404 2.260 40 0 EEABLO Fc1cccc(O[C@H]2CCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC000225485298 464165307 /nfs/dbraw/zinc/16/53/07/464165307.db2.gz AUHWQLFCUXOGFV-INIZCTEOSA-N 1 2 344.390 2.110 40 0 EEABLO Fc1cccc(O[C@H]2CCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000225485298 464165310 /nfs/dbraw/zinc/16/53/10/464165310.db2.gz AUHWQLFCUXOGFV-INIZCTEOSA-N 1 2 344.390 2.110 40 0 EEABLO c1ccc(C[NH+]2CC3(C2)C[C@H](CCOc2cnccn2)CCO3)nc1 ZINC000248105806 464729642 /nfs/dbraw/zinc/72/96/42/464729642.db2.gz PCMDBBVOYRKJNK-MRXNPFEDSA-N 1 2 340.427 2.322 40 0 EEABLO CC[C@H](O)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000253394862 464998658 /nfs/dbraw/zinc/99/86/58/464998658.db2.gz BYXHQOVSDHRQSW-AWEZNQCLSA-N 1 2 339.237 2.233 40 0 EEABLO CC[C@H](O)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000253394862 464998661 /nfs/dbraw/zinc/99/86/61/464998661.db2.gz BYXHQOVSDHRQSW-AWEZNQCLSA-N 1 2 339.237 2.233 40 0 EEABLO O=C(c1ncsc1-c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000253426729 465011728 /nfs/dbraw/zinc/01/17/28/465011728.db2.gz ILPRHEOZGJJUSR-HNNXBMFYSA-N 1 2 343.452 2.357 40 0 EEABLO Cc1nn(C)c(C)c1C[C@@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302904724 466212021 /nfs/dbraw/zinc/21/20/21/466212021.db2.gz SCEOIXXAVMKSHO-GFCCVEGCSA-N 1 2 346.504 2.423 40 0 EEABLO Cc1nn(C)c(C)c1C[C@@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302904724 466212031 /nfs/dbraw/zinc/21/20/31/466212031.db2.gz SCEOIXXAVMKSHO-GFCCVEGCSA-N 1 2 346.504 2.423 40 0 EEABLO CCOC[C@@H]1CCS(=O)(=O)C12C[NH+](Cc1cc(C)cc(C)c1)C2 ZINC000585103472 468970562 /nfs/dbraw/zinc/97/05/62/468970562.db2.gz PESNAYJKTCNYEG-KRWDZBQOSA-N 1 2 337.485 2.329 40 0 EEABLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)N1CCCC1 ZINC000585111607 468975373 /nfs/dbraw/zinc/97/53/73/468975373.db2.gz DKKJIMFIFCFNKK-SFHVURJKSA-N 1 2 339.443 2.245 40 0 EEABLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)N1CCCC1 ZINC000585111607 468975378 /nfs/dbraw/zinc/97/53/78/468975378.db2.gz DKKJIMFIFCFNKK-SFHVURJKSA-N 1 2 339.443 2.245 40 0 EEABLO CCCCc1[nH]c(CN2CCO[C@H](c3nccnc3N(C)C)C2)c[nH+]1 ZINC000257222574 535102674 /nfs/dbraw/zinc/10/26/74/535102674.db2.gz DTVDGJFCRBJTRM-HNNXBMFYSA-N 1 2 344.463 2.182 40 0 EEABLO CCCCc1[nH]cc(CN2CCO[C@H](c3nccnc3N(C)C)C2)[nH+]1 ZINC000257222574 535102684 /nfs/dbraw/zinc/10/26/84/535102684.db2.gz DTVDGJFCRBJTRM-HNNXBMFYSA-N 1 2 344.463 2.182 40 0 EEABLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccnc(OC2CCCCC2)c1 ZINC000585141127 1184703750 /nfs/dbraw/zinc/70/37/50/1184703750.db2.gz QACTXCAZTVXOMJ-AWEZNQCLSA-N 1 2 326.400 2.344 40 0 EEABLO O=C(Cc1cccs1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000056921648 214395029 /nfs/dbraw/zinc/39/50/29/214395029.db2.gz WILWXOMITLWYOU-AWEZNQCLSA-N 1 2 336.482 2.230 40 0 EEABLO CN(C)c1ccc(C[C@@H](CO)n2c[nH+]cc2-c2cnn(C)c2)cc1 ZINC000019719482 202016776 /nfs/dbraw/zinc/01/67/76/202016776.db2.gz JAQMLEIKOJAFKD-KRWDZBQOSA-N 1 2 325.416 2.126 40 0 EEABLO Fc1cccnc1O[C@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000247521259 283032550 /nfs/dbraw/zinc/03/25/50/283032550.db2.gz LPZPWYHNKYEHEN-HNNXBMFYSA-N 1 2 329.375 2.428 40 0 EEABLO Cc1nsc(N2CCC[N@@H+](Cc3nc4ccccc4n3C)CC2)n1 ZINC000072801037 202368251 /nfs/dbraw/zinc/36/82/51/202368251.db2.gz XGMZYWVPJVVHPH-UHFFFAOYSA-N 1 2 342.472 2.446 40 0 EEABLO Cc1nsc(N2CCC[N@H+](Cc3nc4ccccc4n3C)CC2)n1 ZINC000072801037 202368255 /nfs/dbraw/zinc/36/82/55/202368255.db2.gz XGMZYWVPJVVHPH-UHFFFAOYSA-N 1 2 342.472 2.446 40 0 EEABLO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH2+]CCO)cc1 ZINC000002486866 201533176 /nfs/dbraw/zinc/53/31/76/201533176.db2.gz YIDGKCBWDSBLOJ-KRWDZBQOSA-N 1 2 340.423 2.260 40 0 EEABLO Cc1ccnn1CCC(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257224094 244195119 /nfs/dbraw/zinc/19/51/19/244195119.db2.gz FAGSYBAOWRWYFX-MRXNPFEDSA-N 1 2 327.432 2.406 40 0 EEABLO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072384809 203211784 /nfs/dbraw/zinc/21/17/84/203211784.db2.gz ANMMRPQAKBAMEO-AWEZNQCLSA-N 1 2 340.431 2.149 40 0 EEABLO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072384809 203211788 /nfs/dbraw/zinc/21/17/88/203211788.db2.gz ANMMRPQAKBAMEO-AWEZNQCLSA-N 1 2 340.431 2.149 40 0 EEABLO CNC(=O)c1ccc([C@@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)nc1 ZINC000072388081 203212103 /nfs/dbraw/zinc/21/21/03/203212103.db2.gz UMWGWNMGLKGMGJ-KRWDZBQOSA-N 1 2 329.375 2.154 40 0 EEABLO CNC(=O)c1ccc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)nc1 ZINC000072388081 203212106 /nfs/dbraw/zinc/21/21/06/203212106.db2.gz UMWGWNMGLKGMGJ-KRWDZBQOSA-N 1 2 329.375 2.154 40 0 EEABLO Cc1nc([C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)cc(=O)[nH]1 ZINC000257251947 244269542 /nfs/dbraw/zinc/26/95/42/244269542.db2.gz JSYUTENBWGIZHL-GOSISDBHSA-N 1 2 339.395 2.340 40 0 EEABLO Cc1nc([C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)cc(=O)[nH]1 ZINC000257251947 244269549 /nfs/dbraw/zinc/26/95/49/244269549.db2.gz JSYUTENBWGIZHL-GOSISDBHSA-N 1 2 339.395 2.340 40 0 EEABLO Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257263841 244355328 /nfs/dbraw/zinc/35/53/28/244355328.db2.gz LRSHEVDFOUDCNI-HNNXBMFYSA-N 1 2 327.432 2.209 40 0 EEABLO Cc1[nH+]cc(-c2cncc(CC3CCN(c4ccncn4)CC3)n2)n1C ZINC000257274158 244385342 /nfs/dbraw/zinc/38/53/42/244385342.db2.gz NJURPHDHDVGGFQ-UHFFFAOYSA-N 1 2 349.442 2.435 40 0 EEABLO O=C(CN1CC[NH+](Cc2cccc(Cl)c2)CC1)NCC(F)(F)F ZINC000046167673 204334588 /nfs/dbraw/zinc/33/45/88/204334588.db2.gz RUTNOOMPLAAKRM-UHFFFAOYSA-N 1 2 349.784 2.136 40 0 EEABLO C[C@@H](c1cccnc1)[NH+]1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000096424294 296242195 /nfs/dbraw/zinc/24/21/95/296242195.db2.gz WTMRDEQMGGAUET-KBXCAEBGSA-N 1 2 342.418 2.126 40 0 EEABLO Cn1cc[nH+]c1CN1C[C@@H](F)[C@@H](OCc2nc3ccccc3o2)C1 ZINC000096112098 218608388 /nfs/dbraw/zinc/60/83/88/218608388.db2.gz HAZDRBQLVUNTKV-DOMZBBRYSA-N 1 2 330.363 2.300 40 0 biogenic,in-vitro EEABLO CC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306138221 257923158 /nfs/dbraw/zinc/92/31/58/257923158.db2.gz RSORUXARJPDXCG-VQIMIIECSA-N 1 2 344.459 2.038 40 0 EEABLO CC(=O)N1CN(CC[NH+]2CCOCC2)Cc2c3c(sc21)CCCC3 ZINC000020192350 275471809 /nfs/dbraw/zinc/47/18/09/275471809.db2.gz ADSGCYIWEOFMSA-UHFFFAOYSA-N 1 2 349.500 2.085 40 0 EEABLO Cc1nc(N2CCn3c(nnc3C(F)(F)F)C2)c2c([nH+]1)CCCC2 ZINC000242339130 279112424 /nfs/dbraw/zinc/11/24/24/279112424.db2.gz ZFDNPORWKKRGMV-UHFFFAOYSA-N 1 2 338.337 2.294 40 0 EEABLO C[C@H](OCC1CC1)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000096406385 290174274 /nfs/dbraw/zinc/17/42/74/290174274.db2.gz IGACYICXMXLLQD-XHDPSFHLSA-N 1 2 326.387 2.499 40 0 EEABLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000328946536 465177448 /nfs/dbraw/zinc/17/74/48/465177448.db2.gz MHWQLBIYVWARHU-BXUZGUMPSA-N 1 2 330.413 2.047 40 0 EEABLO Cc1cc(C)n(CC[NH+]2CCN(C(=O)Cc3cccc(C)c3)CC2)n1 ZINC000062022058 462606652 /nfs/dbraw/zinc/60/66/52/462606652.db2.gz AAWITIRMBZWQRK-UHFFFAOYSA-N 1 2 340.471 2.195 40 0 EEABLO Cc1ccc(NC(=O)CNc2[nH+]cnc3c2cnn3C)c(Cl)c1 ZINC000063737290 462667979 /nfs/dbraw/zinc/66/79/79/462667979.db2.gz QIYFOKNTBCVZAD-UHFFFAOYSA-N 1 2 330.779 2.376 40 0 EEABLO O=C(CCn1cc[nH+]c1)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000012086977 462842398 /nfs/dbraw/zinc/84/23/98/462842398.db2.gz TUOZVMMBKVFCFH-MRXNPFEDSA-N 1 2 341.411 2.462 40 0 EEABLO O=C(c1ccco1)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096066871 463164287 /nfs/dbraw/zinc/16/42/87/463164287.db2.gz VRYXBPBXLWVIID-AWEZNQCLSA-N 1 2 338.367 2.222 40 0 EEABLO COCCC(=O)N1CCN(Cc2csc(C)n2)c2[nH+]cccc2C1 ZINC000096198962 463204144 /nfs/dbraw/zinc/20/41/44/463204144.db2.gz NECKUVGHJMMETM-UHFFFAOYSA-N 1 2 346.456 2.232 40 0 EEABLO O=C(C1CCOCC1)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216817 463214832 /nfs/dbraw/zinc/21/48/32/463214832.db2.gz BRGIHUOVXUPKEP-IBGZPJMESA-N 1 2 329.444 2.327 40 0 EEABLO Cc1ccc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccn2)CCO3)nn1 ZINC000096226544 463220694 /nfs/dbraw/zinc/22/06/94/463220694.db2.gz YEUNJARLZZWKOF-IBGZPJMESA-N 1 2 339.443 2.051 40 0 EEABLO Cc1ccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccn2)CCO3)nn1 ZINC000096226544 463220697 /nfs/dbraw/zinc/22/06/97/463220697.db2.gz YEUNJARLZZWKOF-IBGZPJMESA-N 1 2 339.443 2.051 40 0 EEABLO O=C(c1ccco1)N1CCO[C@@H]2C[N@H+](Cc3nccs3)CC[C@@H]2C1 ZINC000096249875 463227605 /nfs/dbraw/zinc/22/76/05/463227605.db2.gz WHLPMSPHUQETFV-UKRRQHHQSA-N 1 2 347.440 2.099 40 0 EEABLO O=C(c1ccco1)N1CCO[C@@H]2C[N@@H+](Cc3nccs3)CC[C@@H]2C1 ZINC000096249875 463227611 /nfs/dbraw/zinc/22/76/11/463227611.db2.gz WHLPMSPHUQETFV-UKRRQHHQSA-N 1 2 347.440 2.099 40 0 EEABLO O=C(NCC1CC1)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096253047 463228659 /nfs/dbraw/zinc/22/86/59/463228659.db2.gz XXJHGQNNWKRSAV-IXDOHACOSA-N 1 2 334.847 2.456 40 0 EEABLO O=C(NCC1CC1)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096253047 463228664 /nfs/dbraw/zinc/22/86/64/463228664.db2.gz XXJHGQNNWKRSAV-IXDOHACOSA-N 1 2 334.847 2.456 40 0 EEABLO C[NH+](C)[C@@H](CNC(=O)c1cn2cccnc2n1)c1c(F)cccc1F ZINC000096406369 463240608 /nfs/dbraw/zinc/24/06/08/463240608.db2.gz HWFNNOBLUNGPJE-AWEZNQCLSA-N 1 2 345.353 2.040 40 0 EEABLO Cc1ncccc1C[N@@H+]1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000097371170 463355580 /nfs/dbraw/zinc/35/55/80/463355580.db2.gz AWNZTLGYGYYJQX-KRWDZBQOSA-N 1 2 336.395 2.043 40 0 EEABLO Cc1ncccc1C[N@H+]1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000097371170 463355582 /nfs/dbraw/zinc/35/55/82/463355582.db2.gz AWNZTLGYGYYJQX-KRWDZBQOSA-N 1 2 336.395 2.043 40 0 EEABLO Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000057824931 463521016 /nfs/dbraw/zinc/52/10/16/463521016.db2.gz PLSPOTDRAHRLGU-UHFFFAOYSA-N 1 2 349.394 2.402 40 0 EEABLO CC(C)c1cc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)nn1C ZINC000085263433 463643247 /nfs/dbraw/zinc/64/32/47/463643247.db2.gz OXOXHEDTTWMHKE-UHFFFAOYSA-N 1 2 349.504 2.183 40 0 EEABLO CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257288568 463763365 /nfs/dbraw/zinc/76/33/65/463763365.db2.gz PUSIYSSIXDEOQB-OAHLLOKOSA-N 1 2 331.420 2.272 40 0 EEABLO CCc1noc(CCC(=O)N2CCC[C@H](c3cc[nH+]c(NC)c3)C2)n1 ZINC000257343770 463788240 /nfs/dbraw/zinc/78/82/40/463788240.db2.gz ZUIQGTTVDMVSHQ-AWEZNQCLSA-N 1 2 343.431 2.408 40 0 EEABLO CC(C)c1nnc(C(=O)NCc2cccnc2-n2cc[nH+]c2)s1 ZINC000225665296 464178357 /nfs/dbraw/zinc/17/83/57/464178357.db2.gz NALCELDEKRIXAM-UHFFFAOYSA-N 1 2 328.401 2.172 40 0 EEABLO Cc1cc(OC(F)F)c(C(=O)NC[C@H](C)[N@@H+]2CCOC[C@H]2C)s1 ZINC000245316702 464470238 /nfs/dbraw/zinc/47/02/38/464470238.db2.gz KFBGHFLQPKFCRM-VHSXEESVSA-N 1 2 348.415 2.497 40 0 EEABLO Cc1cc(OC(F)F)c(C(=O)NC[C@H](C)[N@H+]2CCOC[C@H]2C)s1 ZINC000245316702 464470242 /nfs/dbraw/zinc/47/02/42/464470242.db2.gz KFBGHFLQPKFCRM-VHSXEESVSA-N 1 2 348.415 2.497 40 0 EEABLO Cc1cc(S(=O)(=O)CCO)ccc1NCc1cn2ccccc2[nH+]1 ZINC000192478606 464931817 /nfs/dbraw/zinc/93/18/17/464931817.db2.gz FESWBQOJRNBJBT-UHFFFAOYSA-N 1 2 345.424 2.021 40 0 EEABLO CN(C)c1noc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000192792575 464999894 /nfs/dbraw/zinc/99/98/94/464999894.db2.gz KZVZOROMSRFIJR-JTQLQIEISA-N 1 2 344.341 2.188 40 0 EEABLO CN(C)c1noc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000192792575 464999899 /nfs/dbraw/zinc/99/98/99/464999899.db2.gz KZVZOROMSRFIJR-JTQLQIEISA-N 1 2 344.341 2.188 40 0 EEABLO Cc1cc(CN2Cc3c[nH+]cn3[C@H](COc3ncccc3F)C2)no1 ZINC000306135306 466492586 /nfs/dbraw/zinc/49/25/86/466492586.db2.gz ONBYZWVMKINDCO-HNNXBMFYSA-N 1 2 343.362 2.350 40 0 EEABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)COc1ccccc1C ZINC000585094815 468963272 /nfs/dbraw/zinc/96/32/72/468963272.db2.gz NUICDMHYEWXPAG-HNNXBMFYSA-N 1 2 343.427 2.097 40 0 EEABLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000096461440 534468790 /nfs/dbraw/zinc/46/87/90/534468790.db2.gz OEWJCNHMFONXLB-DOTOQJQBSA-N 1 2 347.463 2.012 40 0 EEABLO CCn1c[nH+]cc1CN1CCc2nc3scc(C)c3c(=O)n2CC1 ZINC000019578672 202012342 /nfs/dbraw/zinc/01/23/42/202012342.db2.gz OQMARKQFQBCBIC-UHFFFAOYSA-N 1 2 343.456 2.041 40 0 EEABLO CN(C)c1cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)ccn1 ZINC000019584220 202012553 /nfs/dbraw/zinc/01/25/53/202012553.db2.gz ZUXJUHAOQLIYPK-UHFFFAOYSA-N 1 2 340.427 2.232 40 0 EEABLO CS(=O)(=O)c1cccnc1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019573591 202012762 /nfs/dbraw/zinc/01/27/62/202012762.db2.gz YCKQSUKCGLBPPQ-HNNXBMFYSA-N 1 2 331.441 2.260 40 0 EEABLO CS(=O)(=O)c1cccnc1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019573591 202012765 /nfs/dbraw/zinc/01/27/65/202012765.db2.gz YCKQSUKCGLBPPQ-HNNXBMFYSA-N 1 2 331.441 2.260 40 0 EEABLO C[C@H]1SCC[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@@H]1c1ccccc1 ZINC000083199070 291261256 /nfs/dbraw/zinc/26/12/56/291261256.db2.gz IHDVKLHDXWFRFI-DOMZBBRYSA-N 1 2 344.488 2.198 40 0 EEABLO C[C@H]1SCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@@H]1c1ccccc1 ZINC000083199070 291261262 /nfs/dbraw/zinc/26/12/62/291261262.db2.gz IHDVKLHDXWFRFI-DOMZBBRYSA-N 1 2 344.488 2.198 40 0 EEABLO C=Cn1cc(CN2CC[NH+](Cc3cc(OC)ccc3OC)CC2)cn1 ZINC000193616255 240236762 /nfs/dbraw/zinc/23/67/62/240236762.db2.gz SBYBJIJZVUTVOB-UHFFFAOYSA-N 1 2 342.443 2.319 40 0 EEABLO C=Cn1cc(C[NH+]2CCN(Cc3cc(OC)ccc3OC)CC2)cn1 ZINC000193616255 240236785 /nfs/dbraw/zinc/23/67/85/240236785.db2.gz SBYBJIJZVUTVOB-UHFFFAOYSA-N 1 2 342.443 2.319 40 0 EEABLO Cc1cc2c(cc1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)OCO2 ZINC000193786697 240307781 /nfs/dbraw/zinc/30/77/81/240307781.db2.gz BWPCYHYJZQUSAG-HNNXBMFYSA-N 1 2 332.400 2.306 40 0 EEABLO Cc1cc2c(cc1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)OCO2 ZINC000193786697 240307788 /nfs/dbraw/zinc/30/77/88/240307788.db2.gz BWPCYHYJZQUSAG-HNNXBMFYSA-N 1 2 332.400 2.306 40 0 EEABLO COc1ccc(CCC(=O)N2CC[NH+](Cc3cccn3C)CC2)cc1 ZINC000092534339 203085167 /nfs/dbraw/zinc/08/51/67/203085167.db2.gz TUTWXTMAACARKH-UHFFFAOYSA-N 1 2 341.455 2.311 40 0 EEABLO Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378564 203209443 /nfs/dbraw/zinc/20/94/43/203209443.db2.gz YJAVYVDRVXPFOP-AWEZNQCLSA-N 1 2 336.399 2.319 40 0 EEABLO Cc1cccc(Nc2cc([C@H]3CCCC[N@@H+]3CC(N)=O)nc(C)n2)n1 ZINC000072384652 203212193 /nfs/dbraw/zinc/21/21/93/203212193.db2.gz UTMHHAILZIRMNM-OAHLLOKOSA-N 1 2 340.431 2.244 40 0 EEABLO Cc1cccc(Nc2cc([C@H]3CCCC[N@H+]3CC(N)=O)nc(C)n2)n1 ZINC000072384652 203212194 /nfs/dbraw/zinc/21/21/94/203212194.db2.gz UTMHHAILZIRMNM-OAHLLOKOSA-N 1 2 340.431 2.244 40 0 EEABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc2c([nH]c1=O)CCC2 ZINC000257242097 244246810 /nfs/dbraw/zinc/24/68/10/244246810.db2.gz IBCGKOBJQDEKAY-CQSZACIVSA-N 1 2 338.411 2.070 40 0 EEABLO CC[NH+]1CCN(S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)CC1 ZINC000074934945 203297482 /nfs/dbraw/zinc/29/74/82/203297482.db2.gz BMJIJPNIRSNGES-UHFFFAOYSA-N 1 2 340.489 2.453 40 0 EEABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)COc2ccccc2)CC1 ZINC000044448672 204299697 /nfs/dbraw/zinc/29/96/97/204299697.db2.gz MYLDJEJNLZLNQH-UHFFFAOYSA-N 1 2 329.400 2.015 40 0 EEABLO COc1ccc(CC(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)cc1 ZINC000044448784 204299756 /nfs/dbraw/zinc/29/97/56/204299756.db2.gz ABQKBMICPYHKJV-UHFFFAOYSA-N 1 2 343.427 2.187 40 0 EEABLO O=C(c1cccs1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188569 280217559 /nfs/dbraw/zinc/21/75/59/280217559.db2.gz ZSIWIRIHFXVVFY-CYBMUJFWSA-N 1 2 327.413 2.114 40 0 EEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(C)nc3onc(C)c32)[nH+]1 ZINC000257225459 301023950 /nfs/dbraw/zinc/02/39/50/301023950.db2.gz FGHAFLQYLLZGJF-ZDUSSCGKSA-N 1 2 341.371 2.085 40 0 EEABLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(N)c2ccccc2n1 ZINC000097370602 323322373 /nfs/dbraw/zinc/32/23/73/323322373.db2.gz DZCIYEWHZJSRRH-HNNXBMFYSA-N 1 2 327.432 2.045 40 0 EEABLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(N)c2ccccc2n1 ZINC000097370602 323322376 /nfs/dbraw/zinc/32/23/76/323322376.db2.gz DZCIYEWHZJSRRH-HNNXBMFYSA-N 1 2 327.432 2.045 40 0 EEABLO CC[NH+]1CCN(C(=O)c2snc(-c3ccc(C)cc3)c2N)CC1 ZINC000062007070 462606830 /nfs/dbraw/zinc/60/68/30/462606830.db2.gz QNELTLHPLOGNQT-UHFFFAOYSA-N 1 2 330.457 2.478 40 0 EEABLO CN(C)c1ccc(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)c[nH+]1 ZINC000046286944 462668339 /nfs/dbraw/zinc/66/83/39/462668339.db2.gz QJOWZXRLHQEQCP-UHFFFAOYSA-N 1 2 342.399 2.218 40 0 EEABLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)Cn1nnc2ccccc21 ZINC000012116223 462843567 /nfs/dbraw/zinc/84/35/67/462843567.db2.gz OWFJMPYUKYNGOX-ZDUSSCGKSA-N 1 2 348.410 2.294 40 0 EEABLO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccco1)C2 ZINC000012184700 462846503 /nfs/dbraw/zinc/84/65/03/462846503.db2.gz RUQOPIHXQFPVSR-ZDUSSCGKSA-N 1 2 328.416 2.300 40 0 EEABLO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccco1)C2 ZINC000012184700 462846508 /nfs/dbraw/zinc/84/65/08/462846508.db2.gz RUQOPIHXQFPVSR-ZDUSSCGKSA-N 1 2 328.416 2.300 40 0 EEABLO CCOc1cc2c(cc1C[N@H+](CCO)Cc1cccnc1)OCO2 ZINC000013569622 462895430 /nfs/dbraw/zinc/89/54/30/462895430.db2.gz IUPTWAUNIMJDPW-UHFFFAOYSA-N 1 2 330.384 2.204 40 0 EEABLO CCOc1cc2c(cc1C[N@@H+](CCO)Cc1cccnc1)OCO2 ZINC000013569622 462895433 /nfs/dbraw/zinc/89/54/33/462895433.db2.gz IUPTWAUNIMJDPW-UHFFFAOYSA-N 1 2 330.384 2.204 40 0 EEABLO Cc1cc(C[N@@H+]2C[C@@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)no1 ZINC000096042623 463147185 /nfs/dbraw/zinc/14/71/85/463147185.db2.gz UQQSDDURMCYPQP-OAGGEKHMSA-N 1 2 333.363 2.328 40 0 EEABLO Cc1cc(C[N@H+]2C[C@@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)no1 ZINC000096042623 463147189 /nfs/dbraw/zinc/14/71/89/463147189.db2.gz UQQSDDURMCYPQP-OAGGEKHMSA-N 1 2 333.363 2.328 40 0 EEABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)c1ccc[nH]1)CC2)Cc1ccco1 ZINC000096068039 463164205 /nfs/dbraw/zinc/16/42/05/463164205.db2.gz WDLPGPXHKDGUAZ-UHFFFAOYSA-N 1 2 339.399 2.092 40 0 EEABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)c1ccc[nH]1)CC2)Cc1ccco1 ZINC000096068039 463164211 /nfs/dbraw/zinc/16/42/11/463164211.db2.gz WDLPGPXHKDGUAZ-UHFFFAOYSA-N 1 2 339.399 2.092 40 0 EEABLO O=C(c1ccncc1)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096158821 463190955 /nfs/dbraw/zinc/19/09/55/463190955.db2.gz HDATXPUHPYLPKZ-UHFFFAOYSA-N 1 2 341.411 2.182 40 0 EEABLO O=C(c1ccncc1)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096158821 463190960 /nfs/dbraw/zinc/19/09/60/463190960.db2.gz HDATXPUHPYLPKZ-UHFFFAOYSA-N 1 2 341.411 2.182 40 0 EEABLO CCOC[C@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000096187805 463199471 /nfs/dbraw/zinc/19/94/71/463199471.db2.gz RHQZVOOSHAHVKI-HNNXBMFYSA-N 1 2 349.456 2.049 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)cn1 ZINC000096226273 463220823 /nfs/dbraw/zinc/22/08/23/463220823.db2.gz WPFNRKKUUQCFNL-IBGZPJMESA-N 1 2 344.434 2.431 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)cn1 ZINC000096226273 463220827 /nfs/dbraw/zinc/22/08/27/463220827.db2.gz WPFNRKKUUQCFNL-IBGZPJMESA-N 1 2 344.434 2.431 40 0 EEABLO c1cc(C[N@@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096229454 463223275 /nfs/dbraw/zinc/22/32/75/463223275.db2.gz ZWLCAUUAXZOPDO-SFHVURJKSA-N 1 2 345.468 2.251 40 0 EEABLO c1cc(C[N@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096229454 463223277 /nfs/dbraw/zinc/22/32/77/463223277.db2.gz ZWLCAUUAXZOPDO-SFHVURJKSA-N 1 2 345.468 2.251 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccoc1)c1ccco1 ZINC000096250298 463226552 /nfs/dbraw/zinc/22/65/52/463226552.db2.gz LVNNOTDGGPRCMR-ZMSDIMECSA-N 1 2 330.384 2.282 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccoc1)c1ccco1 ZINC000096250298 463226557 /nfs/dbraw/zinc/22/65/57/463226557.db2.gz LVNNOTDGGPRCMR-ZMSDIMECSA-N 1 2 330.384 2.282 40 0 EEABLO CC(C)n1cnc2c1[C@@H](C(=O)NCc1ccccn1)[N@@H+](C(C)C)CC2 ZINC000096264990 463230911 /nfs/dbraw/zinc/23/09/11/463230911.db2.gz BZHGJMWTBHZXJW-SFHVURJKSA-N 1 2 341.459 2.483 40 0 EEABLO CC(C)n1cnc2c1[C@@H](C(=O)NCc1ccccn1)[N@H+](C(C)C)CC2 ZINC000096264990 463230917 /nfs/dbraw/zinc/23/09/17/463230917.db2.gz BZHGJMWTBHZXJW-SFHVURJKSA-N 1 2 341.459 2.483 40 0 EEABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCc1ccccn1)N(C(C)C)CC2 ZINC000096264990 463230922 /nfs/dbraw/zinc/23/09/22/463230922.db2.gz BZHGJMWTBHZXJW-SFHVURJKSA-N 1 2 341.459 2.483 40 0 EEABLO CNc1cccc([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257316161 463774414 /nfs/dbraw/zinc/77/44/14/463774414.db2.gz VEKGZMRXYUYRGY-GOSISDBHSA-N 1 2 341.411 2.468 40 0 EEABLO CNc1cccc([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257316161 463774416 /nfs/dbraw/zinc/77/44/16/463774416.db2.gz VEKGZMRXYUYRGY-GOSISDBHSA-N 1 2 341.411 2.468 40 0 EEABLO O=C(CC1CC1)NC[C@@H]1Cn2nccc2C[N@H+](Cc2ccoc2)C1 ZINC000306132847 466491964 /nfs/dbraw/zinc/49/19/64/466491964.db2.gz LUEKMTXTYJSTCH-INIZCTEOSA-N 1 2 328.416 2.024 40 0 EEABLO O=C(CC1CC1)NC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccoc2)C1 ZINC000306132847 466491970 /nfs/dbraw/zinc/49/19/70/466491970.db2.gz LUEKMTXTYJSTCH-INIZCTEOSA-N 1 2 328.416 2.024 40 0 EEABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1cc3cc(Cl)ccc3o1)C2 ZINC000585094722 468963681 /nfs/dbraw/zinc/96/36/81/468963681.db2.gz JEXBXDILMUJYBF-LBPRGKRZSA-N 1 2 345.786 2.379 40 0 EEABLO CO[C@H]1CC[N@H+](CC(=O)Nc2cccc(F)c2C)C[C@@]12CCCO2 ZINC000585266278 468995915 /nfs/dbraw/zinc/99/59/15/468995915.db2.gz FOLUCDXSPZCTIF-WMZOPIPTSA-N 1 2 336.407 2.343 40 0 EEABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(F)c2C)C[C@@]12CCCO2 ZINC000585266278 468995923 /nfs/dbraw/zinc/99/59/23/468995923.db2.gz FOLUCDXSPZCTIF-WMZOPIPTSA-N 1 2 336.407 2.343 40 0 EEABLO CC(C)n1cc[nH+]c1CN1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585269245 468997851 /nfs/dbraw/zinc/99/78/51/468997851.db2.gz MTMTWOMGXIEXIC-LJQANCHMSA-N 1 2 329.444 2.270 40 0 EEABLO CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1Cc1ccccc1C ZINC000585278913 469004803 /nfs/dbraw/zinc/00/48/03/469004803.db2.gz ISUGIOLWTWMKII-SJLPKXTDSA-N 1 2 327.428 2.367 40 0 EEABLO CCc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)n(C)n1 ZINC000019522157 202009937 /nfs/dbraw/zinc/00/99/37/202009937.db2.gz LKBUNJJIORNOBL-MRXNPFEDSA-N 1 2 341.390 2.375 40 0 EEABLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000245224725 201152991 /nfs/dbraw/zinc/15/29/91/201152991.db2.gz CJWCFCJZCQSCLW-XYPHTWIQSA-N 1 2 346.427 2.440 40 0 EEABLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000245224725 201152995 /nfs/dbraw/zinc/15/29/95/201152995.db2.gz CJWCFCJZCQSCLW-XYPHTWIQSA-N 1 2 346.427 2.440 40 0 EEABLO CC(C)Cn1ccnc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000241965786 243007498 /nfs/dbraw/zinc/00/74/98/243007498.db2.gz UVPNHLCQGHWERF-UHFFFAOYSA-N 1 2 330.436 2.351 40 0 EEABLO C[N@H+](CC(=O)N1CCC[C@@H](Cc2cccnc2)C1)Cc1cccnc1 ZINC000257208491 244144377 /nfs/dbraw/zinc/14/43/77/244144377.db2.gz BMJVYCGWRLZPKB-SFHVURJKSA-N 1 2 338.455 2.390 40 0 EEABLO C[N@@H+](CC(=O)N1CCC[C@@H](Cc2cccnc2)C1)Cc1cccnc1 ZINC000257208491 244144385 /nfs/dbraw/zinc/14/43/85/244144385.db2.gz BMJVYCGWRLZPKB-SFHVURJKSA-N 1 2 338.455 2.390 40 0 EEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCN2CCc3ccccc32)[nH+]1 ZINC000257221312 244185511 /nfs/dbraw/zinc/18/55/11/244185511.db2.gz DOLHJYVOEBSVFT-KRWDZBQOSA-N 1 2 340.427 2.071 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@@H+]1Cc1ccncc1 ZINC000257234203 244223969 /nfs/dbraw/zinc/22/39/69/244223969.db2.gz GSODZFIDXMJPBH-SFHVURJKSA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@H+]1Cc1ccncc1 ZINC000257234203 244223975 /nfs/dbraw/zinc/22/39/75/244223975.db2.gz GSODZFIDXMJPBH-SFHVURJKSA-N 1 2 325.412 2.496 40 0 EEABLO COc1cccc(C[N@@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1 ZINC000072336785 203202626 /nfs/dbraw/zinc/20/26/26/203202626.db2.gz LAJKFWTUUVVVQB-UHFFFAOYSA-N 1 2 348.406 2.399 40 0 EEABLO COc1cccc(C[N@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1 ZINC000072336785 203202630 /nfs/dbraw/zinc/20/26/30/203202630.db2.gz LAJKFWTUUVVVQB-UHFFFAOYSA-N 1 2 348.406 2.399 40 0 EEABLO Cc1ccc(Nc2nc([C@H]3CCC[N@H+](CC(N)=O)C3)cs2)nc1 ZINC000072367862 203207558 /nfs/dbraw/zinc/20/75/58/203207558.db2.gz BXCMFYPWLMLODG-LBPRGKRZSA-N 1 2 331.445 2.255 40 0 EEABLO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+](CC(N)=O)C3)cs2)nc1 ZINC000072367862 203207562 /nfs/dbraw/zinc/20/75/62/203207562.db2.gz BXCMFYPWLMLODG-LBPRGKRZSA-N 1 2 331.445 2.255 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)[nH+]1 ZINC000257248347 244264374 /nfs/dbraw/zinc/26/43/74/244264374.db2.gz JDFWXQFEXGDMIW-HNNXBMFYSA-N 1 2 338.415 2.365 40 0 EEABLO CC(=O)N1Cc2[nH+]cn(CC3CC3)c2[C@@H](COCC2CCOCC2)C1 ZINC000096045171 203804376 /nfs/dbraw/zinc/80/43/76/203804376.db2.gz GDWKOCYVSUMPRE-QGZVFWFLSA-N 1 2 347.459 2.182 40 0 EEABLO Cc1cccc(C[N@@H+]2CCO[C@]3(CCCN(c4ncccn4)C3)C2)n1 ZINC000096226462 203876035 /nfs/dbraw/zinc/87/60/35/203876035.db2.gz NFKGFGPLYSZVQO-LJQANCHMSA-N 1 2 339.443 2.051 40 0 EEABLO Cc1cccc(C[N@H+]2CCO[C@]3(CCCN(c4ncccn4)C3)C2)n1 ZINC000096226462 203876039 /nfs/dbraw/zinc/87/60/39/203876039.db2.gz NFKGFGPLYSZVQO-LJQANCHMSA-N 1 2 339.443 2.051 40 0 EEABLO C[C@H](c1ccccn1)N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000328927130 311633226 /nfs/dbraw/zinc/63/32/26/311633226.db2.gz WWQRJYWLAVXAIN-OAHLLOKOSA-N 1 2 341.459 2.247 40 0 EEABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCCCO)CC1 ZINC000012116405 462844047 /nfs/dbraw/zinc/84/40/47/462844047.db2.gz AOCAYFJQNVGDLB-UHFFFAOYSA-N 1 2 344.459 2.161 40 0 EEABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@H+](C[C@@H]1CCOC1)CC3 ZINC000012142917 462844671 /nfs/dbraw/zinc/84/46/71/462844671.db2.gz HENZTYJVNDRYDU-LBPRGKRZSA-N 1 2 330.432 2.127 40 0 EEABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@@H+](C[C@@H]1CCOC1)CC3 ZINC000012142917 462844676 /nfs/dbraw/zinc/84/46/76/462844676.db2.gz HENZTYJVNDRYDU-LBPRGKRZSA-N 1 2 330.432 2.127 40 0 EEABLO COc1ccc(-c2nc(N3CCOCC3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221393 462847024 /nfs/dbraw/zinc/84/70/24/462847024.db2.gz OLVNDBBZQQTCFA-UHFFFAOYSA-N 1 2 337.383 2.379 40 0 EEABLO Cc1cnn(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000078774615 463147963 /nfs/dbraw/zinc/14/79/63/463147963.db2.gz DYBDVKVZZDXNAZ-UHFFFAOYSA-N 1 2 339.399 2.122 40 0 EEABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000096209729 463213923 /nfs/dbraw/zinc/21/39/23/463213923.db2.gz CQHMZYORRDRZBZ-OAHLLOKOSA-N 1 2 349.456 2.049 40 0 EEABLO CN(Cc1cccc(C(N)=O)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000096409851 463242835 /nfs/dbraw/zinc/24/28/35/463242835.db2.gz MCNNZPOITVCXJE-UHFFFAOYSA-N 1 2 334.379 2.243 40 0 EEABLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000096424448 463255454 /nfs/dbraw/zinc/25/54/54/463255454.db2.gz XIHLKHSBHFFUJL-INIZCTEOSA-N 1 2 346.406 2.302 40 0 EEABLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000096424448 463255458 /nfs/dbraw/zinc/25/54/58/463255458.db2.gz XIHLKHSBHFFUJL-INIZCTEOSA-N 1 2 346.406 2.302 40 0 EEABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)S1 ZINC000096443765 463268885 /nfs/dbraw/zinc/26/88/85/463268885.db2.gz LDVHGRHOBTXSHT-CYBMUJFWSA-N 1 2 342.468 2.427 40 0 EEABLO COc1cccc([C@H](O)C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000096486932 463285165 /nfs/dbraw/zinc/28/51/65/463285165.db2.gz LHSSFFASWHOGDU-KRWDZBQOSA-N 1 2 346.452 2.135 40 0 EEABLO Cn1ccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000097095380 463321703 /nfs/dbraw/zinc/32/17/03/463321703.db2.gz JJPYLSXYIOVBPR-AWEZNQCLSA-N 1 2 336.233 2.446 40 0 EEABLO Cn1ccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000097095380 463321707 /nfs/dbraw/zinc/32/17/07/463321707.db2.gz JJPYLSXYIOVBPR-AWEZNQCLSA-N 1 2 336.233 2.446 40 0 EEABLO Cc1ccc([C@]2(C)NC(=O)N(Cc3cc[nH+]c(N(C)C)c3)C2=O)cc1 ZINC000097238394 463354512 /nfs/dbraw/zinc/35/45/12/463354512.db2.gz HJVCCRSLLFWGBT-IBGZPJMESA-N 1 2 338.411 2.423 40 0 EEABLO CC(C)n1ccc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)n1 ZINC000085264731 463643349 /nfs/dbraw/zinc/64/33/49/463643349.db2.gz ZCRZYOGZAFBOGC-UHFFFAOYSA-N 1 2 335.477 2.103 40 0 EEABLO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCC[NH+]1CCOCC1 ZINC000044884906 463697511 /nfs/dbraw/zinc/69/75/11/463697511.db2.gz JPBJNDVYKYLGOS-GOSISDBHSA-N 1 2 342.439 2.446 40 0 EEABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cnn3cccnc23)cc[nH+]1 ZINC000257286982 463763399 /nfs/dbraw/zinc/76/33/99/463763399.db2.gz PNXXSGGXKWNMKR-OAHLLOKOSA-N 1 2 336.399 2.168 40 0 EEABLO COc1ccc2[nH]cc(C(=O)N3CCOC[C@@H]3c3[nH]cc(C)[nH+]3)c2c1 ZINC000257302755 463769037 /nfs/dbraw/zinc/76/90/37/463769037.db2.gz SEFDKXQYXZDLRU-MRXNPFEDSA-N 1 2 340.383 2.422 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)[nH+]1 ZINC000257311661 463773904 /nfs/dbraw/zinc/77/39/04/463773904.db2.gz UKNLJMLTAMBTDJ-HNNXBMFYSA-N 1 2 337.427 2.484 40 0 EEABLO CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000257318481 463776580 /nfs/dbraw/zinc/77/65/80/463776580.db2.gz VOCSFBJNJGXPNC-INIZCTEOSA-N 1 2 334.379 2.343 40 0 EEABLO COc1cc(C[N@@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)ccc1F ZINC000257341209 463786330 /nfs/dbraw/zinc/78/63/30/463786330.db2.gz ZJIIEJMOVLCIHY-OAHLLOKOSA-N 1 2 347.390 2.164 40 0 EEABLO COc1cc(C[N@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)ccc1F ZINC000257341209 463786336 /nfs/dbraw/zinc/78/63/36/463786336.db2.gz ZJIIEJMOVLCIHY-OAHLLOKOSA-N 1 2 347.390 2.164 40 0 EEABLO O=C1c2ccccc2CCN1CC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195128019 463998678 /nfs/dbraw/zinc/99/86/78/463998678.db2.gz YRSBBPRTXWXSQS-GOSISDBHSA-N 1 2 347.422 2.182 40 0 EEABLO Cn1ncc2c1nc(N1CC[C@H](Cc3ccc(F)c(F)c3)C1)[nH+]c2N ZINC000225515169 464168279 /nfs/dbraw/zinc/16/82/79/464168279.db2.gz VFEGMESLRSERIM-LLVKDONJSA-N 1 2 344.369 2.293 40 0 EEABLO Cc1cccc(OC2CCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)n1 ZINC000225514751 464168406 /nfs/dbraw/zinc/16/84/06/464168406.db2.gz FMRPODRVOHYIIR-CQSZACIVSA-N 1 2 340.427 2.288 40 0 EEABLO Cc1cccc(OC2CCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)n1 ZINC000225514751 464168409 /nfs/dbraw/zinc/16/84/09/464168409.db2.gz FMRPODRVOHYIIR-CQSZACIVSA-N 1 2 340.427 2.288 40 0 EEABLO O=C(NCCCc1c[nH]c2ccc(F)cc12)NCCn1cc[nH+]c1 ZINC000225695458 464180659 /nfs/dbraw/zinc/18/06/59/464180659.db2.gz VFQQKLLAAXEDSO-UHFFFAOYSA-N 1 2 329.379 2.436 40 0 EEABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000248029631 464724737 /nfs/dbraw/zinc/72/47/37/464724737.db2.gz KWCMBHIYJWBXLR-LSDHHAIUSA-N 1 2 342.443 2.085 40 0 EEABLO Cc1ccc(Cl)cc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000252480156 464960585 /nfs/dbraw/zinc/96/05/85/464960585.db2.gz BXBOAQQOONYCOG-CVEARBPZSA-N 1 2 337.851 2.263 40 0 EEABLO Cc1ccc(Cl)cc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000252480156 464960589 /nfs/dbraw/zinc/96/05/89/464960589.db2.gz BXBOAQQOONYCOG-CVEARBPZSA-N 1 2 337.851 2.263 40 0 EEABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530076561 467947244 /nfs/dbraw/zinc/94/72/44/467947244.db2.gz QMZFJGUZBABFLL-KRWDZBQOSA-N 1 2 349.394 2.404 40 0 EEABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cn(C)c2ccccc12 ZINC000585094567 468963709 /nfs/dbraw/zinc/96/37/09/468963709.db2.gz BTDRSPSHWALMPB-CYBMUJFWSA-N 1 2 338.411 2.125 40 0 EEABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc(OC)c(F)c1 ZINC000585094547 468963735 /nfs/dbraw/zinc/96/37/35/468963735.db2.gz AQUGSJBAOQKAQE-CYBMUJFWSA-N 1 2 347.390 2.171 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2COc2ncccn2)o1 ZINC000585098141 468966936 /nfs/dbraw/zinc/96/69/36/468966936.db2.gz UTQLHHZPLCCFHP-MRXNPFEDSA-N 1 2 339.399 2.428 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2COc2ncccn2)o1 ZINC000585098141 468966939 /nfs/dbraw/zinc/96/69/39/468966939.db2.gz UTQLHHZPLCCFHP-MRXNPFEDSA-N 1 2 339.399 2.428 40 0 EEABLO Cc1nc(N2CCO[C@@](CO)(Cc3ccc(Cl)cc3)C2)cc[nH+]1 ZINC000585275229 468998980 /nfs/dbraw/zinc/99/89/80/468998980.db2.gz AUPWIMHKERNFPV-KRWDZBQOSA-N 1 2 333.819 2.249 40 0 EEABLO O=C(NC[C@@H](O)c1cccs1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000077615940 526490760 /nfs/dbraw/zinc/49/07/60/526490760.db2.gz SBTLNUUNGPVXFG-MRXNPFEDSA-N 1 2 346.452 2.044 40 0 EEABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000036741458 202331254 /nfs/dbraw/zinc/33/12/54/202331254.db2.gz FOJWXTUOXVYOTB-IBGZPJMESA-N 1 2 330.472 2.335 40 0 EEABLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000245224724 201151896 /nfs/dbraw/zinc/15/18/96/201151896.db2.gz CJWCFCJZCQSCLW-XKQJLSEDSA-N 1 2 346.427 2.440 40 0 EEABLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000245224724 201151900 /nfs/dbraw/zinc/15/19/00/201151900.db2.gz CJWCFCJZCQSCLW-XKQJLSEDSA-N 1 2 346.427 2.440 40 0 EEABLO CC(C)Nc1nc(N2CCC[C@@H]2c2ccco2)nc(NCCO)[nH+]1 ZINC000225820510 242053607 /nfs/dbraw/zinc/05/36/07/242053607.db2.gz QPAXMTBDFPZSBD-GFCCVEGCSA-N 1 2 332.408 2.031 40 0 EEABLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCC[C@@H]2c2ccco2)n1 ZINC000225820510 242053614 /nfs/dbraw/zinc/05/36/14/242053614.db2.gz QPAXMTBDFPZSBD-GFCCVEGCSA-N 1 2 332.408 2.031 40 0 EEABLO CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]2c2ccco2)[nH+]1 ZINC000225820510 242053617 /nfs/dbraw/zinc/05/36/17/242053617.db2.gz QPAXMTBDFPZSBD-GFCCVEGCSA-N 1 2 332.408 2.031 40 0 EEABLO Cc1cccn2cc(CCNC(=O)N3CCOC[C@@H]3C3CC3)[nH+]c12 ZINC000089903860 202803627 /nfs/dbraw/zinc/80/36/27/202803627.db2.gz CQLVURPAADGTIR-MRXNPFEDSA-N 1 2 328.416 2.006 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)[nH+]1 ZINC000257234973 244226066 /nfs/dbraw/zinc/22/60/66/244226066.db2.gz GVVQPQOEISPLGO-CQSZACIVSA-N 1 2 328.416 2.466 40 0 EEABLO NC(=O)C[NH+]1CCC(c2nccnc2Oc2ccccc2F)CC1 ZINC000072361843 203205829 /nfs/dbraw/zinc/20/58/29/203205829.db2.gz BWCOTFZXTAHFJS-UHFFFAOYSA-N 1 2 330.363 2.073 40 0 EEABLO Cc1[nH+]cc(-c2nccnc2C[C@H]2CCCN(c3ncccn3)C2)n1C ZINC000257248361 244264345 /nfs/dbraw/zinc/26/43/45/244264345.db2.gz JDICRAUTZNCXBT-OAHLLOKOSA-N 1 2 349.442 2.435 40 0 EEABLO CO[C@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2F)CC[C@@]12CCCO2 ZINC000257253724 244276336 /nfs/dbraw/zinc/27/63/36/244276336.db2.gz JZZVXJLYOWHYGU-WMZOPIPTSA-N 1 2 336.407 2.343 40 0 EEABLO CO[C@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2F)CC[C@@]12CCCO2 ZINC000257253724 244276338 /nfs/dbraw/zinc/27/63/38/244276338.db2.gz JZZVXJLYOWHYGU-WMZOPIPTSA-N 1 2 336.407 2.343 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)[nH+]1 ZINC000257268279 244366824 /nfs/dbraw/zinc/36/68/24/244366824.db2.gz MKZKXWHUOFLOBB-HNNXBMFYSA-N 1 2 336.399 2.287 40 0 EEABLO Cc1ccc(CN2CCn3c(Cn4cncn4)c[nH+]c3[C@@H]2C)s1 ZINC000096062088 203815953 /nfs/dbraw/zinc/81/59/53/203815953.db2.gz IRVQPPWBFPFNKG-ZDUSSCGKSA-N 1 2 328.445 2.470 40 0 EEABLO CCOC[C@@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000079305998 217205907 /nfs/dbraw/zinc/20/59/07/217205907.db2.gz QWCNHSDCTICTJC-OAHLLOKOSA-N 1 2 334.464 2.220 40 0 EEABLO C[C@@H](OCC1CC1)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000096406384 296205760 /nfs/dbraw/zinc/20/57/60/296205760.db2.gz IGACYICXMXLLQD-ABAIWWIYSA-N 1 2 326.387 2.499 40 0 EEABLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)[C@@H](C)C2 ZINC000241231194 292360892 /nfs/dbraw/zinc/36/08/92/292360892.db2.gz KSXWBVBPJOKJTP-KLIQENQMSA-N 1 2 343.471 2.343 40 0 EEABLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)[C@@H](C)C2 ZINC000241231194 292360893 /nfs/dbraw/zinc/36/08/93/292360893.db2.gz KSXWBVBPJOKJTP-KLIQENQMSA-N 1 2 343.471 2.343 40 0 EEABLO O=c1[nH]c2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)ccc2o1 ZINC000289007428 275095146 /nfs/dbraw/zinc/09/51/46/275095146.db2.gz DUIOKAPQSQVWSV-SMDDNHRTSA-N 1 2 342.355 2.097 40 0 EEABLO O=c1[nH]c2cc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)ccc2o1 ZINC000289007428 275095147 /nfs/dbraw/zinc/09/51/47/275095147.db2.gz DUIOKAPQSQVWSV-SMDDNHRTSA-N 1 2 342.355 2.097 40 0 EEABLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nc(N)c2ccccc2n1 ZINC000097370603 323322287 /nfs/dbraw/zinc/32/22/87/323322287.db2.gz DZCIYEWHZJSRRH-OAHLLOKOSA-N 1 2 327.432 2.045 40 0 EEABLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nc(N)c2ccccc2n1 ZINC000097370603 323322290 /nfs/dbraw/zinc/32/22/90/323322290.db2.gz DZCIYEWHZJSRRH-OAHLLOKOSA-N 1 2 327.432 2.045 40 0 EEABLO CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050212 463153606 /nfs/dbraw/zinc/15/36/06/463153606.db2.gz MYNSTECIPAKSGJ-GOSISDBHSA-N 1 2 342.468 2.066 40 0 EEABLO CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050212 463153607 /nfs/dbraw/zinc/15/36/07/463153607.db2.gz MYNSTECIPAKSGJ-GOSISDBHSA-N 1 2 342.468 2.066 40 0 EEABLO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccco2)c1 ZINC000096058031 463159427 /nfs/dbraw/zinc/15/94/27/463159427.db2.gz WVFVOBVCAIFAKY-RCCFBDPRSA-N 1 2 331.416 2.315 40 0 EEABLO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccco2)c1 ZINC000096058031 463159430 /nfs/dbraw/zinc/15/94/30/463159430.db2.gz WVFVOBVCAIFAKY-RCCFBDPRSA-N 1 2 331.416 2.315 40 0 EEABLO COC(=O)c1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)c(OC(F)F)c1 ZINC000078918994 463166540 /nfs/dbraw/zinc/16/65/40/463166540.db2.gz TYTIWDBONNHOKO-VIFPVBQESA-N 1 2 339.298 2.471 40 0 EEABLO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@H]1c2ccccc2C[C@H]1C ZINC000096408677 463241627 /nfs/dbraw/zinc/24/16/27/463241627.db2.gz RNKVSEUHGOLACA-BDJLRTHQSA-N 1 2 337.383 2.345 40 0 EEABLO COc1ccc(OC)c(C[NH+]2CCN(c3ccnc(C)n3)CC2)c1 ZINC000096427313 463257419 /nfs/dbraw/zinc/25/74/19/463257419.db2.gz OAPASYUFCGQDMA-UHFFFAOYSA-N 1 2 328.416 2.124 40 0 EEABLO C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000096430602 463259943 /nfs/dbraw/zinc/25/99/43/463259943.db2.gz WMKXZGXOQQRTGE-URWSZGRFSA-N 1 2 337.489 2.291 40 0 EEABLO O=C(C[N@H+](Cc1ccc(Cl)nc1)C[C@@H]1CCCO1)N1CCCC1 ZINC000096441685 463266778 /nfs/dbraw/zinc/26/67/78/463266778.db2.gz DPEVSOJEBDUWIV-HNNXBMFYSA-N 1 2 337.851 2.338 40 0 EEABLO O=C(C[N@@H+](Cc1ccc(Cl)nc1)C[C@@H]1CCCO1)N1CCCC1 ZINC000096441685 463266781 /nfs/dbraw/zinc/26/67/81/463266781.db2.gz DPEVSOJEBDUWIV-HNNXBMFYSA-N 1 2 337.851 2.338 40 0 EEABLO COc1cc(C(=O)NCc2[nH+]ccn2C)sc1Br ZINC000096485376 463283883 /nfs/dbraw/zinc/28/38/83/463283883.db2.gz GILLZSJWWSQTLO-UHFFFAOYSA-N 1 2 330.207 2.183 40 0 EEABLO O=S(=O)(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1F ZINC000166148511 463652100 /nfs/dbraw/zinc/65/21/00/463652100.db2.gz IVBGVYBYUTVYCV-CYBMUJFWSA-N 1 2 335.404 2.168 40 0 EEABLO Cc1cc2c(cc1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)OCO2 ZINC000193786711 463740995 /nfs/dbraw/zinc/74/09/95/463740995.db2.gz BWPCYHYJZQUSAG-OAHLLOKOSA-N 1 2 332.400 2.306 40 0 EEABLO Cc1cc2c(cc1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)OCO2 ZINC000193786711 463741001 /nfs/dbraw/zinc/74/10/01/463741001.db2.gz BWPCYHYJZQUSAG-OAHLLOKOSA-N 1 2 332.400 2.306 40 0 EEABLO CNC(=O)[C@@]1(CCCc2cnccn2)CCCN(c2cccc[nH+]2)C1 ZINC000257287850 463762778 /nfs/dbraw/zinc/76/27/78/463762778.db2.gz PRTALBYBSIHCNT-IBGZPJMESA-N 1 2 339.443 2.227 40 0 EEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H](c2cnccn2)C1 ZINC000257290462 463764208 /nfs/dbraw/zinc/76/42/08/463764208.db2.gz QDBSCFWHFVIIGK-HNNXBMFYSA-N 1 2 335.411 2.381 40 0 EEABLO Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257294914 463766387 /nfs/dbraw/zinc/76/63/87/463766387.db2.gz QWGYZPIHWTYCOR-HNNXBMFYSA-N 1 2 333.457 2.122 40 0 EEABLO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257294914 463766390 /nfs/dbraw/zinc/76/63/90/463766390.db2.gz QWGYZPIHWTYCOR-HNNXBMFYSA-N 1 2 333.457 2.122 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000257294914 463766392 /nfs/dbraw/zinc/76/63/92/463766392.db2.gz QWGYZPIHWTYCOR-HNNXBMFYSA-N 1 2 333.457 2.122 40 0 EEABLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(N(C)C)no2)c1 ZINC000185242554 463786099 /nfs/dbraw/zinc/78/60/99/463786099.db2.gz FSWMHJCEPRNNLS-CQSZACIVSA-N 1 2 332.404 2.490 40 0 EEABLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(N(C)C)no2)c1 ZINC000185242554 463786103 /nfs/dbraw/zinc/78/61/03/463786103.db2.gz FSWMHJCEPRNNLS-CQSZACIVSA-N 1 2 332.404 2.490 40 0 EEABLO C[C@@H]1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000194209010 463814690 /nfs/dbraw/zinc/81/46/90/463814690.db2.gz WZHWBANBXYIEBW-UKRRQHHQSA-N 1 2 336.399 2.392 40 0 EEABLO O=C(NC[C@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)c1ccsc1 ZINC000306123806 466486997 /nfs/dbraw/zinc/48/69/97/466486997.db2.gz AXKKFNFSTNTELH-BFHYXJOUSA-N 1 2 349.481 2.081 40 0 EEABLO O=C(NC[C@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)c1ccsc1 ZINC000306123806 466487001 /nfs/dbraw/zinc/48/70/01/466487001.db2.gz AXKKFNFSTNTELH-BFHYXJOUSA-N 1 2 349.481 2.081 40 0 EEABLO Cn1cc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)cn1 ZINC000585105530 468972334 /nfs/dbraw/zinc/97/23/34/468972334.db2.gz ZAENTLRVDUDLGJ-CYBMUJFWSA-N 1 2 334.420 2.093 40 0 EEABLO Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)C[N@H+](Cc1ccccc1)C2 ZINC000585110895 468974949 /nfs/dbraw/zinc/97/49/49/468974949.db2.gz WIKIWWXUTOITTP-KRWDZBQOSA-N 1 2 338.455 2.436 40 0 EEABLO Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)C[N@@H+](Cc1ccccc1)C2 ZINC000585110895 468974954 /nfs/dbraw/zinc/97/49/54/468974954.db2.gz WIKIWWXUTOITTP-KRWDZBQOSA-N 1 2 338.455 2.436 40 0 EEABLO CCn1cncc1C[N@@H+]1CCOC[C@](COc2ccccc2)(OC)C1 ZINC000585275464 468998937 /nfs/dbraw/zinc/99/89/37/468998937.db2.gz FBOKOAWNTLHPHN-LJQANCHMSA-N 1 2 345.443 2.199 40 0 EEABLO CCn1cncc1C[N@H+]1CCOC[C@](COc2ccccc2)(OC)C1 ZINC000585275464 468998943 /nfs/dbraw/zinc/99/89/43/468998943.db2.gz FBOKOAWNTLHPHN-LJQANCHMSA-N 1 2 345.443 2.199 40 0 EEABLO CO[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585278970 469005245 /nfs/dbraw/zinc/00/52/45/469005245.db2.gz JPDUMSBTMDLULR-PBHICJAKSA-N 1 2 331.391 2.198 40 0 EEABLO COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)cc1 ZINC000067898800 215245470 /nfs/dbraw/zinc/24/54/70/215245470.db2.gz IDMNXNSXYBTFJW-KRWDZBQOSA-N 1 2 339.399 2.382 40 0 biogenic,in-vitro EEABLO COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)cc1 ZINC000067898800 215245474 /nfs/dbraw/zinc/24/54/74/215245474.db2.gz IDMNXNSXYBTFJW-KRWDZBQOSA-N 1 2 339.399 2.382 40 0 biogenic,in-vitro EEABLO C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)[NH+]1CCN(c2nccs2)CC1 ZINC000022243049 212285318 /nfs/dbraw/zinc/28/53/18/212285318.db2.gz WWTNAOAFBZDTRG-ZNMIVQPWSA-N 1 2 336.505 2.349 40 0 EEABLO Cc1cc(NC2CC3(C2)CCN(C(=O)Cc2cccnc2)C3)nc[nH+]1 ZINC000257224499 244196325 /nfs/dbraw/zinc/19/63/25/244196325.db2.gz FCBNBJLKJZYVQJ-UHFFFAOYSA-N 1 2 337.427 2.216 40 0 EEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](c2ccncn2)C1 ZINC000257239605 244238557 /nfs/dbraw/zinc/23/85/57/244238557.db2.gz HQBWYUAQVMNBDK-OAHLLOKOSA-N 1 2 335.411 2.381 40 0 EEABLO Cc1csc2c(C3CCN(C(=O)Cn4cncn4)CC3)[nH+]c(C)n12 ZINC000019240557 212009234 /nfs/dbraw/zinc/00/92/34/212009234.db2.gz IFWMDKYBSICZSJ-UHFFFAOYSA-N 1 2 344.444 2.010 40 0 EEABLO COc1ccc(Br)c(C[N@@H+]2CCCN(C(N)=O)CC2)c1 ZINC000092754102 218164124 /nfs/dbraw/zinc/16/41/24/218164124.db2.gz XEPFPVYZFHYTGW-UHFFFAOYSA-N 1 2 342.237 2.044 40 0 EEABLO COc1ccc(Br)c(C[N@H+]2CCCN(C(N)=O)CC2)c1 ZINC000092754102 218164126 /nfs/dbraw/zinc/16/41/26/218164126.db2.gz XEPFPVYZFHYTGW-UHFFFAOYSA-N 1 2 342.237 2.044 40 0 EEABLO Fc1cccnc1N1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093687631 218241718 /nfs/dbraw/zinc/24/17/18/218241718.db2.gz 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ZINC000090092549 462774886 /nfs/dbraw/zinc/77/48/86/462774886.db2.gz ZZGVKMHYADCTCJ-UHFFFAOYSA-N 1 2 340.493 2.228 40 0 EEABLO CC(C)CC(=O)N1CC[NH+](Cc2cc(-c3ccncc3)nn2C)CC1 ZINC000019446469 463018345 /nfs/dbraw/zinc/01/83/45/463018345.db2.gz PQBCRWPTSWDFLM-UHFFFAOYSA-N 1 2 341.459 2.172 40 0 EEABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)c1ccoc1)CC2)Cc1ccco1 ZINC000096197474 463203074 /nfs/dbraw/zinc/20/30/74/463203074.db2.gz BPOYCKIZSVEOCH-UHFFFAOYSA-N 1 2 340.383 2.357 40 0 EEABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)c1ccoc1)CC2)Cc1ccco1 ZINC000096197474 463203076 /nfs/dbraw/zinc/20/30/76/463203076.db2.gz BPOYCKIZSVEOCH-UHFFFAOYSA-N 1 2 340.383 2.357 40 0 EEABLO CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(Cc1ccccn1)C2 ZINC000096254038 463229055 /nfs/dbraw/zinc/22/90/55/463229055.db2.gz TVHMFLMMSBYLIE-UHFFFAOYSA-N 1 2 326.448 2.316 40 0 EEABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3scnc3Cl)CC2)S1 ZINC000096443739 463268026 /nfs/dbraw/zinc/26/80/26/463268026.db2.gz NHPJTZQOBPNFTM-QMMMGPOBSA-N 1 2 330.866 2.046 40 0 EEABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2nccn2C)CC1 ZINC000096503171 463292286 /nfs/dbraw/zinc/29/22/86/463292286.db2.gz MVHKOOXHWHXKAK-CQSZACIVSA-N 1 2 347.488 2.113 40 0 EEABLO CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257288567 463763457 /nfs/dbraw/zinc/76/34/57/463763457.db2.gz PUSIYSSIXDEOQB-HNNXBMFYSA-N 1 2 331.420 2.272 40 0 EEABLO CN(C(=O)CCc1ccccc1F)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257317798 463775061 /nfs/dbraw/zinc/77/50/61/463775061.db2.gz VLEYUBQAYTYUDH-JFIYKMOQSA-N 1 2 331.391 2.178 40 0 EEABLO CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000195563122 464077645 /nfs/dbraw/zinc/07/76/45/464077645.db2.gz RVPHDZDELWQOQM-PKOBYXMFSA-N 1 2 341.455 2.491 40 0 EEABLO Nc1[nH+]cnc(N2CCC(O)(Cc3cccc(F)c3)CC2)c1Cl ZINC000225486890 464165755 /nfs/dbraw/zinc/16/57/55/464165755.db2.gz YFBKFCIKZMWCPC-UHFFFAOYSA-N 1 2 336.798 2.425 40 0 EEABLO Nc1nc[nH+]c(N2CCC(O)(Cc3cccc(F)c3)CC2)c1Cl ZINC000225486890 464165761 /nfs/dbraw/zinc/16/57/61/464165761.db2.gz YFBKFCIKZMWCPC-UHFFFAOYSA-N 1 2 336.798 2.425 40 0 EEABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](Oc1cnccn1)CCO2 ZINC000248051255 464727211 /nfs/dbraw/zinc/72/72/11/464727211.db2.gz SIDHXRZSFDWXPX-ZDUSSCGKSA-N 1 2 332.429 2.054 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](Oc3nccc(C)n3)C2)o1 ZINC000306133843 466492555 /nfs/dbraw/zinc/49/25/55/466492555.db2.gz MXRRHQFFDABNMC-KRWDZBQOSA-N 1 2 339.399 2.346 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](Oc3nccc(C)n3)C2)o1 ZINC000306133843 466492561 /nfs/dbraw/zinc/49/25/61/466492561.db2.gz MXRRHQFFDABNMC-KRWDZBQOSA-N 1 2 339.399 2.346 40 0 EEABLO CCOC[C@@H]1CCn2c[nH+]cc2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585097804 468965330 /nfs/dbraw/zinc/96/53/30/468965330.db2.gz QJXPQOVIQZTTQJ-AWEZNQCLSA-N 1 2 343.383 2.063 40 0 EEABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](CNC(=O)N2CCCC2)CO3)o1 ZINC000585105285 468972050 /nfs/dbraw/zinc/97/20/50/468972050.db2.gz SFTMOAASBPEIJA-MRXNPFEDSA-N 1 2 347.459 2.374 40 0 EEABLO CN(C)C(=O)NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112205 468975052 /nfs/dbraw/zinc/97/50/52/468975052.db2.gz LGXNMPQFHMPPHR-CYBMUJFWSA-N 1 2 333.461 2.163 40 0 EEABLO CN(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112205 468975055 /nfs/dbraw/zinc/97/50/55/468975055.db2.gz LGXNMPQFHMPPHR-CYBMUJFWSA-N 1 2 333.461 2.163 40 0 EEABLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc[nH]n2)[C@H]1Cc1cccc(F)c1 ZINC000585274346 468999419 /nfs/dbraw/zinc/99/94/19/468999419.db2.gz JGFRUUNDXXYBCY-ROUUACIJSA-N 1 2 330.407 2.261 40 0 EEABLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc[nH]n2)[C@H]1Cc1cccc(F)c1 ZINC000585274346 468999426 /nfs/dbraw/zinc/99/94/26/468999426.db2.gz JGFRUUNDXXYBCY-ROUUACIJSA-N 1 2 330.407 2.261 40 0 EEABLO CO[C@]1(COc2cccc(F)c2)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585275326 468999759 /nfs/dbraw/zinc/99/97/59/468999759.db2.gz ANNZQWLPHYQECH-GOSISDBHSA-N 1 2 347.390 2.178 40 0 EEABLO Cc1nc(/C=C/C(=O)N(C)[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)cs1 ZINC000585290311 469012221 /nfs/dbraw/zinc/01/22/21/469012221.db2.gz QGVCYUIFNDBEOJ-QJGZVHSTSA-N 1 2 346.456 2.274 40 0 EEABLO CCCCc1[nH]c(CN2CCO[C@@H](c3nccnc3N(C)C)C2)c[nH+]1 ZINC000257222575 535102945 /nfs/dbraw/zinc/10/29/45/535102945.db2.gz DTVDGJFCRBJTRM-OAHLLOKOSA-N 1 2 344.463 2.182 40 0 EEABLO CCCCc1[nH]cc(CN2CCO[C@@H](c3nccnc3N(C)C)C2)[nH+]1 ZINC000257222575 535102948 /nfs/dbraw/zinc/10/29/48/535102948.db2.gz DTVDGJFCRBJTRM-OAHLLOKOSA-N 1 2 344.463 2.182 40 0 EEABLO CCCCc1[nH]c(CN2CCOC[C@H]2c2nc(C)cc(NC)n2)c[nH+]1 ZINC000257270920 535103240 /nfs/dbraw/zinc/10/32/40/535103240.db2.gz MWEUFGJNLJYNGZ-HNNXBMFYSA-N 1 2 344.463 2.466 40 0 EEABLO CCCCc1[nH]cc(CN2CCOC[C@H]2c2nc(C)cc(NC)n2)[nH+]1 ZINC000257270920 535103245 /nfs/dbraw/zinc/10/32/45/535103245.db2.gz MWEUFGJNLJYNGZ-HNNXBMFYSA-N 1 2 344.463 2.466 40 0 EEABLO O=C(Nc1ccc(-n2nccn2)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000178297117 232128843 /nfs/dbraw/zinc/12/88/43/232128843.db2.gz TVWWYQQKVKVARN-INIZCTEOSA-N 1 2 337.387 2.160 40 0 EEABLO COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)c1 ZINC000072322108 216150424 /nfs/dbraw/zinc/15/04/24/216150424.db2.gz GDEAFWUCTDZWAB-KRWDZBQOSA-N 1 2 339.399 2.382 40 0 biogenic,in-vitro EEABLO COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)c1 ZINC000072322108 216150427 /nfs/dbraw/zinc/15/04/27/216150427.db2.gz GDEAFWUCTDZWAB-KRWDZBQOSA-N 1 2 339.399 2.382 40 0 biogenic,in-vitro EEABLO Cc1cc(CCC(=O)[O-])cc([C@H]2CCC[N@H+]2Cc2c[nH+]cn2C)n1 ZINC000072367107 216172849 /nfs/dbraw/zinc/17/28/49/216172849.db2.gz IFNKXFZGCDYQOI-QGZVFWFLSA-N 1 2 328.416 2.478 40 0 EEABLO Cc1cc(CCC(=O)[O-])cc([C@H]2CCC[N@@H+]2Cc2c[nH+]cn2C)n1 ZINC000072367107 216172851 /nfs/dbraw/zinc/17/28/51/216172851.db2.gz IFNKXFZGCDYQOI-QGZVFWFLSA-N 1 2 328.416 2.478 40 0 EEABLO COCC(=O)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2C(C)C)n1 ZINC000072378467 216181019 /nfs/dbraw/zinc/18/10/19/216181019.db2.gz XWOXKTUCWOADIY-CQSZACIVSA-N 1 2 329.404 2.096 40 0 EEABLO CS(=O)(=O)Cc1nc(COc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000072674233 216289969 /nfs/dbraw/zinc/28/99/69/216289969.db2.gz CLNMQTFQJDUFDP-UHFFFAOYSA-N 1 2 349.437 2.452 40 0 EEABLO Cc1cccc(N2CCC[C@H](NC(=O)c3ccc4[nH]nnc4c3)C2)[nH+]1 ZINC000257208836 244142042 /nfs/dbraw/zinc/14/20/42/244142042.db2.gz BNTQLTHPKIMJPH-AWEZNQCLSA-N 1 2 336.399 2.060 40 0 EEABLO Cc1cncc([C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000257232118 244215555 /nfs/dbraw/zinc/21/55/55/244215555.db2.gz GJMIAEAMZCEAPJ-INIZCTEOSA-N 1 2 348.410 2.386 40 0 EEABLO Clc1nc(NCC[NH+]2CCOCC2)nc(NC2CCCCC2)n1 ZINC000019855616 212076441 /nfs/dbraw/zinc/07/64/41/212076441.db2.gz WSURVYOKMIBKLO-UHFFFAOYSA-N 1 2 340.859 2.014 40 0 EEABLO COc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000078556732 217077170 /nfs/dbraw/zinc/07/71/70/217077170.db2.gz VXRHILIYBTYLJF-UHFFFAOYSA-N 1 2 330.369 2.077 40 0 EEABLO O=C(NCCn1cc[nH+]c1)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000078657485 217097295 /nfs/dbraw/zinc/09/72/95/217097295.db2.gz DYZQNWVNCYJGGE-UHFFFAOYSA-N 1 2 346.391 2.286 40 0 EEABLO C[C@](O)(CNC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000079349245 217212256 /nfs/dbraw/zinc/21/22/56/217212256.db2.gz WHIRARYUVOHRJU-IBGZPJMESA-N 1 2 338.411 2.084 40 0 EEABLO Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000079320638 217208446 /nfs/dbraw/zinc/20/84/46/217208446.db2.gz NHTZKDQNAXNCKB-CYBMUJFWSA-N 1 2 330.432 2.078 40 0 EEABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCCOC)CC1 ZINC000012221310 211324390 /nfs/dbraw/zinc/32/43/90/211324390.db2.gz AOCKTUNQHPZDAH-UHFFFAOYSA-N 1 2 344.459 2.425 40 0 EEABLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000095415735 218353956 /nfs/dbraw/zinc/35/39/56/218353956.db2.gz PLHBVZMDXWEFPX-INIZCTEOSA-N 1 2 349.442 2.331 40 0 EEABLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000095415735 218353958 /nfs/dbraw/zinc/35/39/58/218353958.db2.gz PLHBVZMDXWEFPX-INIZCTEOSA-N 1 2 349.442 2.331 40 0 EEABLO COc1ccccc1OCC(=O)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000062017589 462606522 /nfs/dbraw/zinc/60/65/22/462606522.db2.gz QZFXZVHQTXSQDJ-UHFFFAOYSA-N 1 2 329.400 2.209 40 0 EEABLO COc1ccc(NCc2n[nH]c([C@H]([NH3+])c3ccc(OC)cc3)n2)cc1 ZINC000095533687 463106718 /nfs/dbraw/zinc/10/67/18/463106718.db2.gz AUFDATNGWVHGED-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc(NCc2nnc([C@H]([NH3+])c3ccc(OC)cc3)[nH]2)cc1 ZINC000095533687 463106721 /nfs/dbraw/zinc/10/67/21/463106721.db2.gz AUFDATNGWVHGED-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc(NCc2nc([C@H]([NH3+])c3ccc(OC)cc3)n[nH]2)cc1 ZINC000095533687 463106725 /nfs/dbraw/zinc/10/67/25/463106725.db2.gz AUFDATNGWVHGED-QGZVFWFLSA-N 1 2 339.399 2.482 40 0 EEABLO O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1nccs1)CC2 ZINC000096069567 463165349 /nfs/dbraw/zinc/16/53/49/463165349.db2.gz JFCHPOWIJRWFHL-CQSZACIVSA-N 1 2 328.441 2.176 40 0 EEABLO CCOC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197738 463202511 /nfs/dbraw/zinc/20/25/11/463202511.db2.gz BIYVDPKIVQMJLY-HNNXBMFYSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197738 463202516 /nfs/dbraw/zinc/20/25/16/463202516.db2.gz BIYVDPKIVQMJLY-HNNXBMFYSA-N 1 2 329.400 2.285 40 0 EEABLO c1csc(CN2Cc3c[nH+]cn3C[C@@H](COc3ccccn3)C2)n1 ZINC000096207429 463210376 /nfs/dbraw/zinc/21/03/76/463210376.db2.gz SBJVRNFQQVSZAL-AWEZNQCLSA-N 1 2 341.440 2.446 40 0 EEABLO O=C(NC1CCN(c2ncccn2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096409830 463242225 /nfs/dbraw/zinc/24/22/25/463242225.db2.gz NMYSUWJRGSFCTM-UHFFFAOYSA-N 1 2 348.410 2.061 40 0 EEABLO O=C1[C@H]([NH2+][C@H]2CCCn3ncnc32)CCN1c1ccc(F)c(Cl)c1 ZINC000096494478 463289411 /nfs/dbraw/zinc/28/94/11/463289411.db2.gz VIDAUSCPBJZNTQ-UONOGXRCSA-N 1 2 349.797 2.301 40 0 EEABLO CC(C)(O)[C@@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000096502788 463292251 /nfs/dbraw/zinc/29/22/51/463292251.db2.gz JTQMJIAXLDVJAQ-KRWDZBQOSA-N 1 2 342.443 2.376 40 0 EEABLO C[N@H+](CC1=CCCOC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000097095371 463321858 /nfs/dbraw/zinc/32/18/58/463321858.db2.gz DQNRYBBARZGYCA-CQSZACIVSA-N 1 2 339.233 2.254 40 0 EEABLO C[N@@H+](CC1=CCCOC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000097095371 463321860 /nfs/dbraw/zinc/32/18/60/463321860.db2.gz DQNRYBBARZGYCA-CQSZACIVSA-N 1 2 339.233 2.254 40 0 EEABLO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257322411 463777992 /nfs/dbraw/zinc/77/79/92/463777992.db2.gz WFWANWXZFIWVED-MRXNPFEDSA-N 1 2 326.448 2.456 40 0 EEABLO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257322411 463777997 /nfs/dbraw/zinc/77/79/97/463777997.db2.gz WFWANWXZFIWVED-MRXNPFEDSA-N 1 2 326.448 2.456 40 0 EEABLO CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000194321436 463836462 /nfs/dbraw/zinc/83/64/62/463836462.db2.gz HYYVFDKHEFLDGR-GOSISDBHSA-N 1 2 329.400 2.386 40 0 EEABLO COc1ccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1 ZINC000224139907 464147948 /nfs/dbraw/zinc/14/79/48/464147948.db2.gz ZXMOUMPHDZBWFB-UHFFFAOYSA-N 1 2 330.392 2.261 40 0 EEABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccnn2C)[C@H](C)C1 ZINC000225658122 464178432 /nfs/dbraw/zinc/17/84/32/464178432.db2.gz QPFGXZSLZCRZGU-OAHLLOKOSA-N 1 2 342.443 2.165 40 0 EEABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccnn2C)[C@H](C)C1 ZINC000225658122 464178436 /nfs/dbraw/zinc/17/84/36/464178436.db2.gz QPFGXZSLZCRZGU-OAHLLOKOSA-N 1 2 342.443 2.165 40 0 EEABLO CN(C)c1ccc([NH+]2CCC(N3C(=O)[C@H]4CCCN4C3=O)CC2)cc1 ZINC000253433193 465015407 /nfs/dbraw/zinc/01/54/07/465015407.db2.gz TUDGABAKCYZZFR-QGZVFWFLSA-N 1 2 342.443 2.148 40 0 EEABLO C[NH+](C)c1ccc(N2CCC(N3C(=O)[C@H]4CCCN4C3=O)CC2)cc1 ZINC000253433193 465015409 /nfs/dbraw/zinc/01/54/09/465015409.db2.gz TUDGABAKCYZZFR-QGZVFWFLSA-N 1 2 342.443 2.148 40 0 EEABLO COCC(=O)N1CCC2(Cc3[nH+]cc(-c4cccs4)n3C2)CC1 ZINC000306125833 466488469 /nfs/dbraw/zinc/48/84/69/466488469.db2.gz DDEUSVUOULOLKA-UHFFFAOYSA-N 1 2 331.441 2.423 40 0 EEABLO Cc1occc1C(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1COCC1CC1 ZINC000585094820 468963435 /nfs/dbraw/zinc/96/34/35/468963435.db2.gz NXRHCYDBAAJKGU-CQSZACIVSA-N 1 2 329.400 2.315 40 0 EEABLO Cc1cnc(OC[C@@H]2CCn3nccc3C[N@@H+]2Cc2ccco2)nc1 ZINC000585097089 468965734 /nfs/dbraw/zinc/96/57/34/468965734.db2.gz HKRMZDWCZOJJHH-INIZCTEOSA-N 1 2 339.399 2.428 40 0 EEABLO Cc1cnc(OC[C@@H]2CCn3nccc3C[N@H+]2Cc2ccco2)nc1 ZINC000585097089 468965737 /nfs/dbraw/zinc/96/57/37/468965737.db2.gz HKRMZDWCZOJJHH-INIZCTEOSA-N 1 2 339.399 2.428 40 0 EEABLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1)C1CC1 ZINC000585123241 539980690 /nfs/dbraw/zinc/98/06/90/539980690.db2.gz KVDIOIZDDCWMBO-PMPSAXMXSA-N 1 2 341.415 2.096 40 0 EEABLO Cc1c([C@H](C)[NH2+]Cc2nnc3n2CCCC3)cnn1-c1ccccn1 ZINC000183851350 235243249 /nfs/dbraw/zinc/24/32/49/235243249.db2.gz UTAHITGTJGCWOR-ZDUSSCGKSA-N 1 2 337.431 2.354 40 0 EEABLO Cc1cc2c(nc3n(c2=O)CC[N@@H+](Cc2ccccn2)CC3)s1 ZINC000072397014 216192061 /nfs/dbraw/zinc/19/20/61/216192061.db2.gz QUHOSDUTPSFPLG-UHFFFAOYSA-N 1 2 326.425 2.220 40 0 EEABLO Cc1cc2c(nc3n(c2=O)CC[N@H+](Cc2ccccn2)CC3)s1 ZINC000072397014 216192065 /nfs/dbraw/zinc/19/20/65/216192065.db2.gz QUHOSDUTPSFPLG-UHFFFAOYSA-N 1 2 326.425 2.220 40 0 EEABLO c1cncc(C[NH+]2CC3(C2)OCC[C@@H]3COCc2ccncc2)c1 ZINC000247909329 243477767 /nfs/dbraw/zinc/47/77/67/243477767.db2.gz XYLJWVNGFZAAQL-GOSISDBHSA-N 1 2 325.412 2.284 40 0 EEABLO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](Cc2cccnc2)C3)nc1 ZINC000253600017 244032647 /nfs/dbraw/zinc/03/26/47/244032647.db2.gz AHYDWUTWRYEBPC-QGZVFWFLSA-N 1 2 339.443 2.273 40 0 EEABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ccnc(C)n2)cc1 ZINC000257230826 244213248 /nfs/dbraw/zinc/21/32/48/244213248.db2.gz GECAIIOTVJFVJN-KRWDZBQOSA-N 1 2 349.394 2.387 40 0 EEABLO COc1cccc(C[N@@H+]2CCC[C@]2(C(=O)N(C)C)c2cnccn2)c1 ZINC000257243671 244251059 /nfs/dbraw/zinc/25/10/59/244251059.db2.gz IIAHMFBLBODIRN-LJQANCHMSA-N 1 2 340.427 2.065 40 0 EEABLO COc1cccc(C[N@H+]2CCC[C@]2(C(=O)N(C)C)c2cnccn2)c1 ZINC000257243671 244251064 /nfs/dbraw/zinc/25/10/64/244251064.db2.gz IIAHMFBLBODIRN-LJQANCHMSA-N 1 2 340.427 2.065 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)[nH+]1 ZINC000257234972 244227004 /nfs/dbraw/zinc/22/70/04/244227004.db2.gz GVVQPQOEISPLGO-AWEZNQCLSA-N 1 2 328.416 2.466 40 0 EEABLO CNc1cc([C@@H]2CCCN2C(=O)CCCn2cc[nH+]c2)nc(C)n1 ZINC000257262140 244350268 /nfs/dbraw/zinc/35/02/68/244350268.db2.gz LKGOWLDHBMURPG-HNNXBMFYSA-N 1 2 328.420 2.167 40 0 EEABLO C[C@@](O)(CNC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000079349241 217212145 /nfs/dbraw/zinc/21/21/45/217212145.db2.gz WHIRARYUVOHRJU-LJQANCHMSA-N 1 2 338.411 2.084 40 0 EEABLO COc1ccccc1C[N@@H+]1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 ZINC000012120665 211299861 /nfs/dbraw/zinc/29/98/61/211299861.db2.gz QBEWZEQQMHHLNL-UHFFFAOYSA-N 1 2 348.406 2.399 40 0 EEABLO COc1ccccc1C[N@H+]1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 ZINC000012120665 211299866 /nfs/dbraw/zinc/29/98/66/211299866.db2.gz QBEWZEQQMHHLNL-UHFFFAOYSA-N 1 2 348.406 2.399 40 0 EEABLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(C(=O)CCC2CC2)CC1 ZINC000095397490 218329615 /nfs/dbraw/zinc/32/96/15/218329615.db2.gz YXFKZZBVFCUCPM-MRXNPFEDSA-N 1 2 335.492 2.112 40 0 EEABLO Cc1cc(CN2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)no1 ZINC000096207552 218683607 /nfs/dbraw/zinc/68/36/07/218683607.db2.gz ROPDOYOAKOZDTB-OAHLLOKOSA-N 1 2 339.399 2.286 40 0 EEABLO O=C(c1cccs1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000085473394 462550679 /nfs/dbraw/zinc/55/06/79/462550679.db2.gz KTDQTUZMBKYJIG-ZDUSSCGKSA-N 1 2 326.487 2.028 40 0 EEABLO Cc1nn(-c2ccccc2)c(Sc2nc(N)cc(N)[nH+]2)c1C=O ZINC000000419985 462561545 /nfs/dbraw/zinc/56/15/45/462561545.db2.gz JMAWDLRXVBBQNS-UHFFFAOYSA-N 1 2 326.385 2.099 40 0 EEABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)NCc1ccccc1 ZINC000012142779 462845428 /nfs/dbraw/zinc/84/54/28/462845428.db2.gz ZOPNLLDSXPKSGL-UHFFFAOYSA-N 1 2 348.406 2.395 40 0 EEABLO Cc1cccc2[nH+]c(CNC(=O)NCc3cccc(N(C)C)n3)cn21 ZINC000095437577 463084597 /nfs/dbraw/zinc/08/45/97/463084597.db2.gz LCJKGBDRFLIXIH-UHFFFAOYSA-N 1 2 338.415 2.103 40 0 EEABLO COC[C@H]1CN(C(=O)c2ccncc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045075 463149309 /nfs/dbraw/zinc/14/93/09/463149309.db2.gz QMFCWKIGJFEHJE-OAHLLOKOSA-N 1 2 326.400 2.074 40 0 EEABLO c1csc(C[N@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187157 463198859 /nfs/dbraw/zinc/19/88/59/463198859.db2.gz OBWFUYCAFGXGLW-VYDXJSESSA-N 1 2 331.441 2.487 40 0 EEABLO c1csc(C[N@@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187157 463198864 /nfs/dbraw/zinc/19/88/64/463198864.db2.gz OBWFUYCAFGXGLW-VYDXJSESSA-N 1 2 331.441 2.487 40 0 EEABLO Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H](Cn3cccn3)C2)c(C)o1 ZINC000096188575 463200781 /nfs/dbraw/zinc/20/07/81/463200781.db2.gz GXKWARYXVZYESC-OAHLLOKOSA-N 1 2 339.399 2.262 40 0 EEABLO O=C(Cc1ccco1)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096208535 463212035 /nfs/dbraw/zinc/21/20/35/463212035.db2.gz LOXOSZGVLMJFLO-DNVCBOLYSA-N 1 2 341.411 2.479 40 0 EEABLO O=C(CC1CC1)N1Cc2c[nH+]cn2C[C@@H](COCc2ccccn2)C1 ZINC000096209350 463212234 /nfs/dbraw/zinc/21/22/34/463212234.db2.gz MYNBVZHSJLZLNX-INIZCTEOSA-N 1 2 340.427 2.253 40 0 EEABLO CC[N@H+](CCCNC(=O)C(=O)Nc1c(C)noc1C)c1ccccc1 ZINC000096413465 463246316 /nfs/dbraw/zinc/24/63/16/463246316.db2.gz IRQLPJNXERQCKC-UHFFFAOYSA-N 1 2 344.415 2.263 40 0 EEABLO CC[N@@H+](CCCNC(=O)C(=O)Nc1c(C)noc1C)c1ccccc1 ZINC000096413465 463246321 /nfs/dbraw/zinc/24/63/21/463246321.db2.gz IRQLPJNXERQCKC-UHFFFAOYSA-N 1 2 344.415 2.263 40 0 EEABLO Cn1cc(N2CCC[C@@H](Sc3[nH+]cc4ccccn43)C2=O)cn1 ZINC000096424833 463254535 /nfs/dbraw/zinc/25/45/35/463254535.db2.gz GUCSMKCILFHOQZ-CQSZACIVSA-N 1 2 327.413 2.356 40 0 EEABLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2nncs2)s1 ZINC000096424506 463254822 /nfs/dbraw/zinc/25/48/22/463254822.db2.gz KQXTXCRRDWCGHB-SECBINFHSA-N 1 2 325.463 2.497 40 0 EEABLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2nncs2)s1 ZINC000096424506 463254827 /nfs/dbraw/zinc/25/48/27/463254827.db2.gz KQXTXCRRDWCGHB-SECBINFHSA-N 1 2 325.463 2.497 40 0 EEABLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000096436313 463264057 /nfs/dbraw/zinc/26/40/57/463264057.db2.gz VNNCZOQZSGISCO-HNNXBMFYSA-N 1 2 340.427 2.298 40 0 EEABLO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443467 463268876 /nfs/dbraw/zinc/26/88/76/463268876.db2.gz VWHAIBXPNKBKCV-STQMWFEESA-N 1 2 333.457 2.064 40 0 EEABLO CNc1cc([C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)cc[nH+]1 ZINC000257320172 463777037 /nfs/dbraw/zinc/77/70/37/463777037.db2.gz VVQJTPNJMKSRAX-INIZCTEOSA-N 1 2 344.459 2.232 40 0 EEABLO CC(=O)NCc1ccnc([C@H]2C[N@H+](Cc3ccc(C)s3)CCO2)n1 ZINC000257333370 463781954 /nfs/dbraw/zinc/78/19/54/463781954.db2.gz YBHFYMBWOWLWSM-MRXNPFEDSA-N 1 2 346.456 2.056 40 0 EEABLO CC(=O)NCc1ccnc([C@H]2C[N@@H+](Cc3ccc(C)s3)CCO2)n1 ZINC000257333370 463781961 /nfs/dbraw/zinc/78/19/61/463781961.db2.gz YBHFYMBWOWLWSM-MRXNPFEDSA-N 1 2 346.456 2.056 40 0 EEABLO Cc1cc(N2CCC[C@@H](Cc3nccnc3-c3cncn3C)C2)nc[nH+]1 ZINC000257336582 463784366 /nfs/dbraw/zinc/78/43/66/463784366.db2.gz YPBPAUIEYBQJBM-HNNXBMFYSA-N 1 2 349.442 2.435 40 0 EEABLO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c(C)o1 ZINC000183112495 464799669 /nfs/dbraw/zinc/79/96/69/464799669.db2.gz GIFSLTCEVREDGQ-UHFFFAOYSA-N 1 2 340.470 2.295 40 0 EEABLO Cc1cc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c(C)o1 ZINC000183112495 464799675 /nfs/dbraw/zinc/79/96/75/464799675.db2.gz GIFSLTCEVREDGQ-UHFFFAOYSA-N 1 2 340.470 2.295 40 0 EEABLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000249261804 464855830 /nfs/dbraw/zinc/85/58/30/464855830.db2.gz HYVKEZKPYXPJFO-VXGBXAGGSA-N 1 2 332.477 2.486 40 0 EEABLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000249261804 464855833 /nfs/dbraw/zinc/85/58/33/464855833.db2.gz HYVKEZKPYXPJFO-VXGBXAGGSA-N 1 2 332.477 2.486 40 0 EEABLO C[C@@H](O)CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000192444884 464925609 /nfs/dbraw/zinc/92/56/09/464925609.db2.gz VKXLRMQLOMSLKO-BXUZGUMPSA-N 1 2 343.830 2.124 40 0 EEABLO C[C@@H](O)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000192444884 464925616 /nfs/dbraw/zinc/92/56/16/464925616.db2.gz VKXLRMQLOMSLKO-BXUZGUMPSA-N 1 2 343.830 2.124 40 0 EEABLO Cc1cc(C(=O)N2CC[C@H]3CCN(c4cccc[nH+]4)[C@H]3CC2)[nH]n1 ZINC000306131221 466491265 /nfs/dbraw/zinc/49/12/65/466491265.db2.gz JYULBKPQFRTIBD-HOCLYGCPSA-N 1 2 325.416 2.244 40 0 EEABLO Cc1cc(C(=O)N2CC[C@H]3CCN(c4cccc[nH+]4)[C@H]3CC2)n[nH]1 ZINC000306131221 466491273 /nfs/dbraw/zinc/49/12/73/466491273.db2.gz JYULBKPQFRTIBD-HOCLYGCPSA-N 1 2 325.416 2.244 40 0 EEABLO CC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306138219 466493428 /nfs/dbraw/zinc/49/34/28/466493428.db2.gz RSORUXARJPDXCG-LPHOPBHVSA-N 1 2 344.459 2.038 40 0 EEABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](Cc3ccncc3F)C[C@H]21 ZINC000514288602 467941814 /nfs/dbraw/zinc/94/18/14/467941814.db2.gz GJKPNVRFJBRNNN-WBVHZDCISA-N 1 2 345.349 2.077 40 0 biogenic,in-vitro EEABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](Cc3ccncc3F)C[C@H]21 ZINC000514288602 467941816 /nfs/dbraw/zinc/94/18/16/467941816.db2.gz GJKPNVRFJBRNNN-WBVHZDCISA-N 1 2 345.349 2.077 40 0 biogenic,in-vitro EEABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@@H]2C ZINC000585097746 468965864 /nfs/dbraw/zinc/96/58/64/468965864.db2.gz NUCQASXTZRERBE-GFCCVEGCSA-N 1 2 343.383 2.018 40 0 EEABLO CN(C)c1cc([C@@H]2CCCN(C(=O)COc3cccnc3)C2)cc[nH+]1 ZINC000257235088 536145297 /nfs/dbraw/zinc/14/52/97/536145297.db2.gz GWJZZUVFJGWNGY-MRXNPFEDSA-N 1 2 340.427 2.328 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)Cc3c(C)noc3C)CC[N@@H+]2C)cc1 ZINC000257226734 536944439 /nfs/dbraw/zinc/94/44/39/536944439.db2.gz FLXLZITVBYCUNX-GOSISDBHSA-N 1 2 343.427 2.358 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)Cc3c(C)noc3C)CC[N@H+]2C)cc1 ZINC000257226734 536944444 /nfs/dbraw/zinc/94/44/44/536944444.db2.gz FLXLZITVBYCUNX-GOSISDBHSA-N 1 2 343.427 2.358 40 0 EEABLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191677555 529781690 /nfs/dbraw/zinc/78/16/90/529781690.db2.gz PGBUYFCAILKPLX-CYBMUJFWSA-N 1 2 346.349 2.267 40 0 EEABLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191677555 529781691 /nfs/dbraw/zinc/78/16/91/529781691.db2.gz PGBUYFCAILKPLX-CYBMUJFWSA-N 1 2 346.349 2.267 40 0 EEABLO COc1ccc(C[N@@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cc1 ZINC000072336786 216156965 /nfs/dbraw/zinc/15/69/65/216156965.db2.gz XKRXUKDFZQDVJE-UHFFFAOYSA-N 1 2 348.406 2.399 40 0 EEABLO COc1ccc(C[N@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cc1 ZINC000072336786 216156968 /nfs/dbraw/zinc/15/69/68/216156968.db2.gz XKRXUKDFZQDVJE-UHFFFAOYSA-N 1 2 348.406 2.399 40 0 EEABLO Cc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072361825 216168684 /nfs/dbraw/zinc/16/86/84/216168684.db2.gz DAWNFOHJBXGSGQ-CQSZACIVSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072361825 216168686 /nfs/dbraw/zinc/16/86/86/216168686.db2.gz DAWNFOHJBXGSGQ-CQSZACIVSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1cc(N2CCC[C@@](CCCc3ccccn3)(C(N)=O)C2)nc[nH+]1 ZINC000072367255 216172997 /nfs/dbraw/zinc/17/29/97/216172997.db2.gz NXHYZCWAMDKYGA-LJQANCHMSA-N 1 2 339.443 2.275 40 0 EEABLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000195578161 241024857 /nfs/dbraw/zinc/02/48/57/241024857.db2.gz CGMMKLAHEZUIEM-DLBZAZTESA-N 1 2 343.427 2.104 40 0 EEABLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)C ZINC000195578161 241024861 /nfs/dbraw/zinc/02/48/61/241024861.db2.gz CGMMKLAHEZUIEM-DLBZAZTESA-N 1 2 343.427 2.104 40 0 EEABLO Cc1ccnc([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257219615 244177252 /nfs/dbraw/zinc/17/72/52/244177252.db2.gz DHKYYWYPPUMNCL-QGZVFWFLSA-N 1 2 327.384 2.130 40 0 EEABLO Cc1ccnc([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257219615 244177260 /nfs/dbraw/zinc/17/72/60/244177260.db2.gz DHKYYWYPPUMNCL-QGZVFWFLSA-N 1 2 327.384 2.130 40 0 EEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@H](c2nccc(C)n2)C1 ZINC000257243709 244250135 /nfs/dbraw/zinc/25/01/35/244250135.db2.gz IIEYECPYVXTAGY-HNNXBMFYSA-N 1 2 335.411 2.300 40 0 EEABLO Cc1cn(C)c([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257237021 244233061 /nfs/dbraw/zinc/23/30/61/244233061.db2.gz HEVRQVXNGQXLKM-KRWDZBQOSA-N 1 2 329.400 2.073 40 0 EEABLO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257237021 244233067 /nfs/dbraw/zinc/23/30/67/244233067.db2.gz HEVRQVXNGQXLKM-KRWDZBQOSA-N 1 2 329.400 2.073 40 0 EEABLO CNc1cc([C@H]2CCCN(C(=O)CCn3nccc3C)C2)cc[nH+]1 ZINC000257248812 244262573 /nfs/dbraw/zinc/26/25/73/244262573.db2.gz JFHRFOJIAQJQNE-INIZCTEOSA-N 1 2 327.432 2.425 40 0 EEABLO Cc1nccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000257275091 244391056 /nfs/dbraw/zinc/39/10/56/244391056.db2.gz NNWHHRPWMMPERX-MRXNPFEDSA-N 1 2 334.383 2.343 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCN1C ZINC000257278002 244397912 /nfs/dbraw/zinc/39/79/12/244397912.db2.gz OAIYPZSQWNRPTG-QGZVFWFLSA-N 1 2 342.443 2.187 40 0 EEABLO Cc1cnc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cn1 ZINC000078774617 217118430 /nfs/dbraw/zinc/11/84/30/217118430.db2.gz NSMBMWOWGXZCSB-UHFFFAOYSA-N 1 2 337.383 2.334 40 0 EEABLO COC(=O)c1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c[nH]1 ZINC000093385596 218220215 /nfs/dbraw/zinc/22/02/15/218220215.db2.gz SOCQUQBMVCXGIK-INIZCTEOSA-N 1 2 345.374 2.178 40 0 EEABLO COC(=O)c1cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c[nH]1 ZINC000093385596 218220217 /nfs/dbraw/zinc/22/02/17/218220217.db2.gz SOCQUQBMVCXGIK-INIZCTEOSA-N 1 2 345.374 2.178 40 0 EEABLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(OC)nn2)cc1 ZINC000330033210 258002411 /nfs/dbraw/zinc/00/24/11/258002411.db2.gz XIGNMBRZKKPPSU-INIZCTEOSA-N 1 2 342.399 2.097 40 0 EEABLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(OC)nn2)cc1 ZINC000330033210 258002412 /nfs/dbraw/zinc/00/24/12/258002412.db2.gz XIGNMBRZKKPPSU-INIZCTEOSA-N 1 2 342.399 2.097 40 0 EEABLO COc1cccc([C@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2ccnnc2)c1 ZINC000257282957 286469553 /nfs/dbraw/zinc/46/95/53/286469553.db2.gz OWATZLSGXSLYQJ-QGZVFWFLSA-N 1 2 349.394 2.387 40 0 EEABLO CN(Cc1cn(-c2cccc(Br)c2)nn1)Cc1[nH]cc[nH+]1 ZINC000390833995 323545733 /nfs/dbraw/zinc/54/57/33/323545733.db2.gz QDDOYIIPISDPMH-UHFFFAOYSA-N 1 2 347.220 2.385 40 0 EEABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1Cl ZINC000074935375 462657625 /nfs/dbraw/zinc/65/76/25/462657625.db2.gz HBNHQJUGRHQIOS-UHFFFAOYSA-N 1 2 332.853 2.065 40 0 EEABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1cccc(O)c1)C2 ZINC000012666151 462861591 /nfs/dbraw/zinc/86/15/91/462861591.db2.gz WVBHPWGJGKTANE-UHFFFAOYSA-N 1 2 334.379 2.096 40 0 EEABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1cccc(O)c1)C2 ZINC000012666151 462861596 /nfs/dbraw/zinc/86/15/96/462861596.db2.gz WVBHPWGJGKTANE-UHFFFAOYSA-N 1 2 334.379 2.096 40 0 EEABLO CC(C)N1C[NH+]=C2N[C@H](c3ccccn3)n3c4ccccc4nc3N2C1 ZINC000013638317 462898137 /nfs/dbraw/zinc/89/81/37/462898137.db2.gz DKOKBOUNZJAILS-KRWDZBQOSA-N 1 2 347.426 2.383 40 0 EEABLO Cc1nc2c(c(N3CCC[C@@H](O)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286202 463015356 /nfs/dbraw/zinc/01/53/56/463015356.db2.gz RSFJCVQISOBLLF-QGZVFWFLSA-N 1 2 338.455 2.304 40 0 EEABLO Cc1nc2c(c(N3CCC[C@@H](O)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286202 463015359 /nfs/dbraw/zinc/01/53/59/463015359.db2.gz RSFJCVQISOBLLF-QGZVFWFLSA-N 1 2 338.455 2.304 40 0 EEABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1ccccc1)CC2 ZINC000019706179 463021217 /nfs/dbraw/zinc/02/12/17/463021217.db2.gz YENXBIUKBXDTHO-INIZCTEOSA-N 1 2 339.443 2.133 40 0 EEABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1ccccc1)CC2 ZINC000019706179 463021221 /nfs/dbraw/zinc/02/12/21/463021221.db2.gz YENXBIUKBXDTHO-INIZCTEOSA-N 1 2 339.443 2.133 40 0 EEABLO Cc1nc(CO[C@H]2CO[C@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072410 463167679 /nfs/dbraw/zinc/16/76/79/463167679.db2.gz QCTHLMPVTXGDCB-HZPDHXFCSA-N 1 2 334.445 2.125 40 0 EEABLO Cc1nc(CO[C@H]2CO[C@]3(CC[N@@H+](Cc4cnc[nH]4)C3)C2)cs1 ZINC000096072410 463167681 /nfs/dbraw/zinc/16/76/81/463167681.db2.gz QCTHLMPVTXGDCB-HZPDHXFCSA-N 1 2 334.445 2.125 40 0 EEABLO Cc1nnc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)o1 ZINC000054422008 463235304 /nfs/dbraw/zinc/23/53/04/463235304.db2.gz VHZVEAKFDAMYRK-UHFFFAOYSA-N 1 2 336.823 2.228 40 0 EEABLO O=C(CCCNC(=O)C1CC1)NCCNc1ccc2ccccc2[nH+]1 ZINC000096411890 463245004 /nfs/dbraw/zinc/24/50/04/463245004.db2.gz LNRIYDHRFHJBBA-UHFFFAOYSA-N 1 2 340.427 2.069 40 0 EEABLO O=C(NCCNc1cccc[nH+]1)c1cc(N2CCCC2=O)ccc1F ZINC000096435988 463263443 /nfs/dbraw/zinc/26/34/43/463263443.db2.gz HQQYYTFILOOOQN-UHFFFAOYSA-N 1 2 342.374 2.189 40 0 EEABLO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000159346344 463281722 /nfs/dbraw/zinc/28/17/22/463281722.db2.gz QQSZNYRXGBUDDA-HNNXBMFYSA-N 1 2 339.443 2.062 40 0 EEABLO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@@H]1CCC(=O)N1 ZINC000044442029 463678774 /nfs/dbraw/zinc/67/87/74/463678774.db2.gz DKXTXAVKXZWWAM-ZUEPYMLJSA-N 1 2 340.427 2.232 40 0 EEABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@@H+]2Cc2cnn(C)c2C)cc1 ZINC000257299515 463769387 /nfs/dbraw/zinc/76/93/87/463769387.db2.gz RQKDDDVGSPSSGW-IBGZPJMESA-N 1 2 342.443 2.143 40 0 EEABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@H+]2Cc2cnn(C)c2C)cc1 ZINC000257299515 463769393 /nfs/dbraw/zinc/76/93/93/463769393.db2.gz RQKDDDVGSPSSGW-IBGZPJMESA-N 1 2 342.443 2.143 40 0 EEABLO COc1cccc(F)c1C[N@@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257315682 463774566 /nfs/dbraw/zinc/77/45/66/463774566.db2.gz VCKGDKNKURFYKM-AWEZNQCLSA-N 1 2 347.390 2.164 40 0 EEABLO COc1cccc(F)c1C[N@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257315682 463774573 /nfs/dbraw/zinc/77/45/73/463774573.db2.gz VCKGDKNKURFYKM-AWEZNQCLSA-N 1 2 347.390 2.164 40 0 EEABLO CN(C)c1nccnc1[C@H]1C[N@H+](CCOc2ccc(F)cc2)CCO1 ZINC000257326808 463779403 /nfs/dbraw/zinc/77/94/03/463779403.db2.gz WYQYAPVIUZVJEQ-MRXNPFEDSA-N 1 2 346.406 2.134 40 0 EEABLO CN(C)c1nccnc1[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CCO1 ZINC000257326808 463779408 /nfs/dbraw/zinc/77/94/08/463779408.db2.gz WYQYAPVIUZVJEQ-MRXNPFEDSA-N 1 2 346.406 2.134 40 0 EEABLO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000223023153 464136035 /nfs/dbraw/zinc/13/60/35/464136035.db2.gz RVYBOBADSMTZBE-MRXNPFEDSA-N 1 2 340.851 2.254 40 0 EEABLO CC(C)c1nc(N2CCN(c3cccc(O)c3)CC2)nc(N(C)C)[nH+]1 ZINC000270989176 464272630 /nfs/dbraw/zinc/27/26/30/464272630.db2.gz WUPYPAMPMVXKPK-UHFFFAOYSA-N 1 2 342.447 2.093 40 0 EEABLO CC(C)c1nc(N(C)C)nc(N2CCN(c3cccc(O)c3)CC2)[nH+]1 ZINC000270989176 464272636 /nfs/dbraw/zinc/27/26/36/464272636.db2.gz WUPYPAMPMVXKPK-UHFFFAOYSA-N 1 2 342.447 2.093 40 0 EEABLO CCn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3)CCO2)cn1 ZINC000190780623 464719812 /nfs/dbraw/zinc/71/98/12/464719812.db2.gz SDAQJOQJGURPAD-KRWDZBQOSA-N 1 2 328.416 2.305 40 0 EEABLO CCn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3)CCO2)cn1 ZINC000190780623 464719817 /nfs/dbraw/zinc/71/98/17/464719817.db2.gz SDAQJOQJGURPAD-KRWDZBQOSA-N 1 2 328.416 2.305 40 0 EEABLO Cc1occc1C(=O)NC1CC[NH+](Cc2ncnn2CC(C)C)CC1 ZINC000182741096 464720112 /nfs/dbraw/zinc/72/01/12/464720112.db2.gz BBGKVVZEFSEOTJ-UHFFFAOYSA-N 1 2 345.447 2.230 40 0 EEABLO O=C1CCCCN1C[C@@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1 ZINC000248004985 464723051 /nfs/dbraw/zinc/72/30/51/464723051.db2.gz SPXNRGAITCXBET-INIZCTEOSA-N 1 2 329.444 2.075 40 0 EEABLO Cn1cccc1C(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccco3)C2)OC1 ZINC000248096003 464729371 /nfs/dbraw/zinc/72/93/71/464729371.db2.gz CZRNJMBRKQGYJN-HNNXBMFYSA-N 1 2 343.427 2.029 40 0 EEABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC000248090558 464729554 /nfs/dbraw/zinc/72/95/54/464729554.db2.gz CEAHPMNCCSPHRP-GBESFXJTSA-N 1 2 342.443 2.011 40 0 EEABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cn1 ZINC000248090558 464729561 /nfs/dbraw/zinc/72/95/61/464729561.db2.gz CEAHPMNCCSPHRP-GBESFXJTSA-N 1 2 342.443 2.011 40 0 EEABLO COc1cc[nH+]c(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)c1OC ZINC000190865980 464735288 /nfs/dbraw/zinc/73/52/88/464735288.db2.gz ZBSFHGURWQIDOH-MRXNPFEDSA-N 1 2 341.411 2.336 40 0 EEABLO CN(CCc1cccs1)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000266243525 464769651 /nfs/dbraw/zinc/76/96/51/464769651.db2.gz XWDGNQFODZQDJD-CQSZACIVSA-N 1 2 332.473 2.426 40 0 EEABLO CN(CCc1cccs1)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000266243525 464769656 /nfs/dbraw/zinc/76/96/56/464769656.db2.gz XWDGNQFODZQDJD-CQSZACIVSA-N 1 2 332.473 2.426 40 0 EEABLO Cn1cnc2c1[C@H](C(=O)N1CCCCC1)C[N@H+](Cc1ccco1)C2 ZINC000585110851 468973434 /nfs/dbraw/zinc/97/34/34/468973434.db2.gz QEJULFAFFLBZRB-OAHLLOKOSA-N 1 2 328.416 2.125 40 0 EEABLO Cn1cnc2c1[C@H](C(=O)N1CCCCC1)C[N@@H+](Cc1ccco1)C2 ZINC000585110851 468973439 /nfs/dbraw/zinc/97/34/39/468973439.db2.gz QEJULFAFFLBZRB-OAHLLOKOSA-N 1 2 328.416 2.125 40 0 EEABLO CO[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585278477 469003804 /nfs/dbraw/zinc/00/38/04/469003804.db2.gz FOQXPEKSOVKJSC-WBVHZDCISA-N 1 2 331.391 2.128 40 0 EEABLO Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000097953771 219065185 /nfs/dbraw/zinc/06/51/85/219065185.db2.gz GQSSVOWHFWYFFB-YESZJQIVSA-N 1 2 329.375 2.427 40 0 EEABLO Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1 ZINC000097953771 219065187 /nfs/dbraw/zinc/06/51/87/219065187.db2.gz GQSSVOWHFWYFFB-YESZJQIVSA-N 1 2 329.375 2.427 40 0 EEABLO O=C(NCCOc1ncccc1Cl)N[C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000096473498 237060149 /nfs/dbraw/zinc/06/01/49/237060149.db2.gz SBKMIWKRMUTWTC-KBPBESRZSA-N 1 2 349.822 2.403 40 0 EEABLO NC(=O)C[NH+]1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 ZINC000072361816 216168893 /nfs/dbraw/zinc/16/88/93/216168893.db2.gz BQSQUKIAIFOEIC-UHFFFAOYSA-N 1 2 330.363 2.073 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccco1)c1ccco1 ZINC000107747470 219805464 /nfs/dbraw/zinc/80/54/64/219805464.db2.gz MISXUPRCZWPXAB-YSVLISHTSA-N 1 2 330.384 2.282 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccco1)c1ccco1 ZINC000107747470 219805467 /nfs/dbraw/zinc/80/54/67/219805467.db2.gz MISXUPRCZWPXAB-YSVLISHTSA-N 1 2 330.384 2.282 40 0 EEABLO COc1cccc(CN2CC[N@H+](Cc3cnn(C)c3C)[C@@H](C)C2)c1 ZINC000019553726 212041509 /nfs/dbraw/zinc/04/15/09/212041509.db2.gz VDCGYPOTCGEYAT-HNNXBMFYSA-N 1 2 328.460 2.443 40 0 EEABLO COc1cccc(CN2CC[N@@H+](Cc3cnn(C)c3C)[C@@H](C)C2)c1 ZINC000019553726 212041511 /nfs/dbraw/zinc/04/15/11/212041511.db2.gz VDCGYPOTCGEYAT-HNNXBMFYSA-N 1 2 328.460 2.443 40 0 EEABLO O=C(NCCCCn1cc[nH+]c1)N1CCN(c2cccs2)CC1 ZINC000095411175 218348477 /nfs/dbraw/zinc/34/84/77/218348477.db2.gz QBIJIBRHKILPRD-UHFFFAOYSA-N 1 2 333.461 2.257 40 0 EEABLO COc1ccc(C[N@@H+]2CCOC[C@H](Oc3cccc(C)n3)C2)cn1 ZINC000085435946 462548117 /nfs/dbraw/zinc/54/81/17/462548117.db2.gz DZFWGGDBXKPWRK-MRXNPFEDSA-N 1 2 329.400 2.073 40 0 biogenic,in-vitro EEABLO COc1ccc(C[N@H+]2CCOC[C@H](Oc3cccc(C)n3)C2)cn1 ZINC000085435946 462548119 /nfs/dbraw/zinc/54/81/19/462548119.db2.gz DZFWGGDBXKPWRK-MRXNPFEDSA-N 1 2 329.400 2.073 40 0 biogenic,in-vitro EEABLO Cc1nn(CCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c(C)c1C ZINC000019557199 463019862 /nfs/dbraw/zinc/01/98/62/463019862.db2.gz MOMQWYIPMOVIFP-QGZVFWFLSA-N 1 2 341.459 2.236 40 0 EEABLO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccsc2)CCO3)o1 ZINC000096049192 463152492 /nfs/dbraw/zinc/15/24/92/463152492.db2.gz DQTWMSYNJGGWIE-MRXNPFEDSA-N 1 2 334.445 2.311 40 0 EEABLO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccsc2)CCO3)o1 ZINC000096049192 463152499 /nfs/dbraw/zinc/15/24/99/463152499.db2.gz DQTWMSYNJGGWIE-MRXNPFEDSA-N 1 2 334.445 2.311 40 0 EEABLO Cc1ccc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3[C@H]2C)o1 ZINC000096062067 463161541 /nfs/dbraw/zinc/16/15/41/463161541.db2.gz FSTWHVFQXAOODL-CYBMUJFWSA-N 1 2 325.372 2.246 40 0 EEABLO Cc1nc(C)n(C[C@@H]2Cn3cc[nH+]c3CN(Cc3ccoc3)C2)n1 ZINC000096067144 463164839 /nfs/dbraw/zinc/16/48/39/463164839.db2.gz JXAYHVDAQFGLRX-INIZCTEOSA-N 1 2 326.404 2.017 40 0 EEABLO CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000096066757 463164983 /nfs/dbraw/zinc/16/49/83/463164983.db2.gz WRDKEEZJPADQTL-HNNXBMFYSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000096066757 463164986 /nfs/dbraw/zinc/16/49/86/463164986.db2.gz WRDKEEZJPADQTL-HNNXBMFYSA-N 1 2 329.400 2.285 40 0 EEABLO O=C(c1ccncc1F)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187915 463198740 /nfs/dbraw/zinc/19/87/40/463198740.db2.gz GVFRTRDDQXHXPL-CQSZACIVSA-N 1 2 344.390 2.116 40 0 EEABLO C[N@H+](Cc1ccco1)Cc1cnc2n1CCN(C(=O)CC1CC1)CC2 ZINC000096197095 463203195 /nfs/dbraw/zinc/20/31/95/463203195.db2.gz IFIXZOGQUJMGMB-UHFFFAOYSA-N 1 2 342.443 2.293 40 0 EEABLO C[N@@H+](Cc1ccco1)Cc1cnc2n1CCN(C(=O)CC1CC1)CC2 ZINC000096197095 463203199 /nfs/dbraw/zinc/20/31/99/463203199.db2.gz IFIXZOGQUJMGMB-UHFFFAOYSA-N 1 2 342.443 2.293 40 0 EEABLO Cc1occc1C(=O)N1CC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219123 463216777 /nfs/dbraw/zinc/21/67/77/463216777.db2.gz WZPFTCBPGYXEIY-KDOFPFPSSA-N 1 2 327.384 2.469 40 0 EEABLO C[N@H+](C[C@H]1CCCCO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000096486712 463284928 /nfs/dbraw/zinc/28/49/28/463284928.db2.gz WJWRUEHCUVIAMN-KGLIPLIRSA-N 1 2 341.249 2.476 40 0 EEABLO C[N@@H+](C[C@H]1CCCCO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000096486712 463284935 /nfs/dbraw/zinc/28/49/35/463284935.db2.gz WJWRUEHCUVIAMN-KGLIPLIRSA-N 1 2 341.249 2.476 40 0 EEABLO Cc1noc(CN2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)n1 ZINC000096489598 463284977 /nfs/dbraw/zinc/28/49/77/463284977.db2.gz SYQGUBNSFPLNOV-UHFFFAOYSA-N 1 2 338.415 2.086 40 0 EEABLO Cc1cccn2cc(CCNC(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)[nH+]c12 ZINC000097378435 463357664 /nfs/dbraw/zinc/35/76/64/463357664.db2.gz SGTJVLHQNQQVNM-NVXWUHKLSA-N 1 2 342.443 2.442 40 0 EEABLO CC1(C)CN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CCS1 ZINC000083716517 463556035 /nfs/dbraw/zinc/55/60/35/463556035.db2.gz HKHYDYPHKUITEY-UHFFFAOYSA-N 1 2 331.445 2.304 40 0 EEABLO COCCn1c(SCc2[nH+]ccn2C)nnc1-c1ccncc1 ZINC000059962439 463646237 /nfs/dbraw/zinc/64/62/37/463646237.db2.gz UDCPZSRKNHVZSK-UHFFFAOYSA-N 1 2 330.417 2.012 40 0 EEABLO Cc1cc([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)nc2ccnn21 ZINC000257215794 463756385 /nfs/dbraw/zinc/75/63/85/463756385.db2.gz CRRPJXSLKGUDAA-MRXNPFEDSA-N 1 2 338.415 2.378 40 0 EEABLO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3cncc(Nc4cnccn4)n3)C2)n1 ZINC000257303280 463770344 /nfs/dbraw/zinc/77/03/44/463770344.db2.gz SGNSKOYJWPTHDA-CYBMUJFWSA-N 1 2 336.403 2.113 40 0 EEABLO c1c[nH]c(C[N@H+]2CCC[C@@H](c3cncc(Nc4cnccn4)n3)C2)n1 ZINC000257303280 463770349 /nfs/dbraw/zinc/77/03/49/463770349.db2.gz SGNSKOYJWPTHDA-CYBMUJFWSA-N 1 2 336.403 2.113 40 0 EEABLO Cc1[nH]n(C)c2nnc(NC(=O)CCn3c(C)[nH+]c4ccccc43)c1-2 ZINC000195567438 464078976 /nfs/dbraw/zinc/07/89/76/464078976.db2.gz NAMFQRGKWBBLET-UHFFFAOYSA-N 1 2 337.387 2.292 40 0 EEABLO Cc1nc(N2CCC[C@H]([C@H](O)c3nccn3C)C2)c2c([nH+]1)CCCC2 ZINC000253425703 465010317 /nfs/dbraw/zinc/01/03/17/465010317.db2.gz BOWGPBZPOLJZER-YOEHRIQHSA-N 1 2 341.459 2.347 40 0 EEABLO Oc1ccc(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000301157451 465911738 /nfs/dbraw/zinc/91/17/38/465911738.db2.gz DLEWGNBVRNCJSF-UHFFFAOYSA-N 1 2 325.416 2.109 40 0 EEABLO Oc1ccc(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000301157451 465911747 /nfs/dbraw/zinc/91/17/47/465911747.db2.gz DLEWGNBVRNCJSF-UHFFFAOYSA-N 1 2 325.416 2.109 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](Oc3ncccn3)C2)o1 ZINC000306143369 466494649 /nfs/dbraw/zinc/49/46/49/466494649.db2.gz YAIMSROKSCNEPG-MRXNPFEDSA-N 1 2 325.372 2.038 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](Oc3ncccn3)C2)o1 ZINC000306143369 466494654 /nfs/dbraw/zinc/49/46/54/466494654.db2.gz YAIMSROKSCNEPG-MRXNPFEDSA-N 1 2 325.372 2.038 40 0 EEABLO CC(C)c1[nH+]c2cc(NC(=O)CCCn3cnnn3)ccc2n1C ZINC000524733122 467639585 /nfs/dbraw/zinc/63/95/85/467639585.db2.gz WPMQXJNMDOMZOU-UHFFFAOYSA-N 1 2 327.392 2.102 40 0 EEABLO Cc1ccc(C[N@H+](Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575422786 468143444 /nfs/dbraw/zinc/14/34/44/468143444.db2.gz WLZKROGEWHPAKK-OALUTQOASA-N 1 2 345.464 2.155 40 0 EEABLO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575422786 468143449 /nfs/dbraw/zinc/14/34/49/468143449.db2.gz WLZKROGEWHPAKK-OALUTQOASA-N 1 2 345.464 2.155 40 0 EEABLO Cc1cnc(OC[C@H]2CCn3nccc3C[N@@H+]2Cc2ccco2)nc1 ZINC000585097092 468965211 /nfs/dbraw/zinc/96/52/11/468965211.db2.gz HKRMZDWCZOJJHH-MRXNPFEDSA-N 1 2 339.399 2.428 40 0 EEABLO Cc1cnc(OC[C@H]2CCn3nccc3C[N@H+]2Cc2ccco2)nc1 ZINC000585097092 468965214 /nfs/dbraw/zinc/96/52/14/468965214.db2.gz HKRMZDWCZOJJHH-MRXNPFEDSA-N 1 2 339.399 2.428 40 0 EEABLO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC000039490759 213238095 /nfs/dbraw/zinc/23/80/95/213238095.db2.gz AIQIZAOEWWVZBX-MRXNPFEDSA-N 1 2 338.407 2.313 40 0 EEABLO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC000039490759 213238098 /nfs/dbraw/zinc/23/80/98/213238098.db2.gz AIQIZAOEWWVZBX-MRXNPFEDSA-N 1 2 338.407 2.313 40 0 EEABLO CCc1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339897 216157859 /nfs/dbraw/zinc/15/78/59/216157859.db2.gz ZHOAXTWYESVVSN-UHFFFAOYSA-N 1 2 348.410 2.155 40 0 EEABLO CCc1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339897 216157860 /nfs/dbraw/zinc/15/78/60/216157860.db2.gz ZHOAXTWYESVVSN-UHFFFAOYSA-N 1 2 348.410 2.155 40 0 EEABLO c1c[nH]c(C[N@@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)n1 ZINC000072378060 216179368 /nfs/dbraw/zinc/17/93/68/216179368.db2.gz YAADORWEBJGNTC-ZDUSSCGKSA-N 1 2 336.403 2.113 40 0 EEABLO c1c[nH]c(C[N@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)n1 ZINC000072378060 216179371 /nfs/dbraw/zinc/17/93/71/216179371.db2.gz YAADORWEBJGNTC-ZDUSSCGKSA-N 1 2 336.403 2.113 40 0 EEABLO Cc1cc2c(nc3n(c2=O)CC[N@@H+](Cc2cccnc2)CC3)s1 ZINC000072397011 216192306 /nfs/dbraw/zinc/19/23/06/216192306.db2.gz LTSJUGMQSPZXHP-UHFFFAOYSA-N 1 2 326.425 2.220 40 0 EEABLO Cc1cc2c(nc3n(c2=O)CC[N@H+](Cc2cccnc2)CC3)s1 ZINC000072397011 216192308 /nfs/dbraw/zinc/19/23/08/216192308.db2.gz LTSJUGMQSPZXHP-UHFFFAOYSA-N 1 2 326.425 2.220 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)c3c(C)noc3C)CC[N@@H+]2C)cc1 ZINC000257217140 244170960 /nfs/dbraw/zinc/17/09/60/244170960.db2.gz CXRGCKUCRHFGTR-INIZCTEOSA-N 1 2 329.400 2.429 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)c3c(C)noc3C)CC[N@H+]2C)cc1 ZINC000257217140 244170966 /nfs/dbraw/zinc/17/09/66/244170966.db2.gz CXRGCKUCRHFGTR-INIZCTEOSA-N 1 2 329.400 2.429 40 0 EEABLO CC(=O)N[C@@H](c1nccs1)C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000257253733 244276422 /nfs/dbraw/zinc/27/64/22/244276422.db2.gz KABCGOSUUOBBLA-OAHLLOKOSA-N 1 2 331.445 2.335 40 0 EEABLO CCn1ncc2c1C[N@H+](Cc1ccc3c(c1)OCO3)C[C@@H]2COC ZINC000096044571 218529561 /nfs/dbraw/zinc/52/95/61/218529561.db2.gz DJJKKFILDNMUMW-CQSZACIVSA-N 1 2 329.400 2.378 40 0 EEABLO CCn1ncc2c1C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@@H]2COC ZINC000096044571 218529564 /nfs/dbraw/zinc/52/95/64/218529564.db2.gz DJJKKFILDNMUMW-CQSZACIVSA-N 1 2 329.400 2.378 40 0 EEABLO C[C@]12CC[C@H]3[C@@H](C[C@@H]([NH+]4CC4)[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O ZINC000118922980 221204069 /nfs/dbraw/zinc/20/40/69/221204069.db2.gz DLLYIRQRNHFLFN-FVCHVEBFSA-N 1 2 347.499 2.368 40 0 EEABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529858 257845230 /nfs/dbraw/zinc/84/52/30/257845230.db2.gz UAHGHYCKLHYQEV-HOTGVXAUSA-N 1 2 349.394 2.307 40 0 biogenic,in-vitro EEABLO C[N@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529858 257845231 /nfs/dbraw/zinc/84/52/31/257845231.db2.gz UAHGHYCKLHYQEV-HOTGVXAUSA-N 1 2 349.394 2.307 40 0 biogenic,in-vitro EEABLO C[NH+]1CCN(C2=C(Cl)[C@@]3(OCCS3)C(F)(F)C2(F)F)CC1 ZINC000022870892 290037891 /nfs/dbraw/zinc/03/78/91/290037891.db2.gz MHRMAHXWWOASEL-NSHDSACASA-N 1 2 346.777 2.428 40 0 EEABLO Cc1noc(C)c1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CC2)C1 ZINC000096044929 302836751 /nfs/dbraw/zinc/83/67/51/302836751.db2.gz FQBISADTVQGHAC-CQSZACIVSA-N 1 2 344.415 2.191 40 0 EEABLO COCCCn1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000088389873 462625955 /nfs/dbraw/zinc/62/59/55/462625955.db2.gz TWKDHHVXIIDWDA-CYBMUJFWSA-N 1 2 332.408 2.402 40 0 EEABLO O=C(NCc1[nH+]ccn1Cc1ccccc1)N[C@H]1CCCC[C@H]1O ZINC000074818077 462638394 /nfs/dbraw/zinc/63/83/94/462638394.db2.gz QLSBNCALGJSOSG-JKSUJKDBSA-N 1 2 328.416 2.034 40 0 EEABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)N1CCCCCC1 ZINC000012142784 462845504 /nfs/dbraw/zinc/84/55/04/462845504.db2.gz GFHAWPKNGJNZAI-UHFFFAOYSA-N 1 2 340.427 2.482 40 0 EEABLO O=C(CCc1ccccc1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188580 463199821 /nfs/dbraw/zinc/19/98/21/463199821.db2.gz GZFAYXSTNAECFG-SFHVURJKSA-N 1 2 349.438 2.371 40 0 EEABLO O=C(CC1CCCC1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188605 463199997 /nfs/dbraw/zinc/19/99/97/463199997.db2.gz MLBPKNMFSPKOLL-INIZCTEOSA-N 1 2 327.432 2.319 40 0 EEABLO c1ncn2c1C[N@H+](Cc1ccccn1)C[C@@H](COc1cccnc1)C2 ZINC000096209283 463212013 /nfs/dbraw/zinc/21/20/13/463212013.db2.gz ATKYTYPIIKBRHY-MRXNPFEDSA-N 1 2 335.411 2.384 40 0 EEABLO c1ncn2c1C[N@@H+](Cc1ccccn1)C[C@@H](COc1cccnc1)C2 ZINC000096209283 463212019 /nfs/dbraw/zinc/21/20/19/463212019.db2.gz ATKYTYPIIKBRHY-MRXNPFEDSA-N 1 2 335.411 2.384 40 0 EEABLO c1[nH+]cn2c1CN(Cc1ccccn1)C[C@@H](COc1cccnc1)C2 ZINC000096209283 463212021 /nfs/dbraw/zinc/21/20/21/463212021.db2.gz ATKYTYPIIKBRHY-MRXNPFEDSA-N 1 2 335.411 2.384 40 0 EEABLO Cc1nc(C[N@@H+]2CCC[C@]3(CN(c4cnccn4)CCO3)C2)cs1 ZINC000096226686 463221352 /nfs/dbraw/zinc/22/13/52/463221352.db2.gz FENMQUOUKGTQGJ-QGZVFWFLSA-N 1 2 345.472 2.113 40 0 EEABLO Cc1nc(C[N@H+]2CCC[C@]3(CN(c4cnccn4)CCO3)C2)cs1 ZINC000096226686 463221357 /nfs/dbraw/zinc/22/13/57/463221357.db2.gz FENMQUOUKGTQGJ-QGZVFWFLSA-N 1 2 345.472 2.113 40 0 EEABLO Cc1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc[nH+]2)C3)nn1 ZINC000096229049 463221773 /nfs/dbraw/zinc/22/17/73/463221773.db2.gz DRGNBGJFBUKTKT-IBGZPJMESA-N 1 2 339.443 2.303 40 0 EEABLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000096421058 463251798 /nfs/dbraw/zinc/25/17/98/463251798.db2.gz NTRMQIBDXQVVBO-ZDUSSCGKSA-N 1 2 349.456 2.416 40 0 EEABLO O=C(NC[C@@H](O)c1ccsc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000096419990 463252133 /nfs/dbraw/zinc/25/21/33/463252133.db2.gz OZNOTWFIUXATKY-QGZVFWFLSA-N 1 2 346.452 2.044 40 0 EEABLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nc(C(C)(C)C)no1 ZINC000096432759 463261288 /nfs/dbraw/zinc/26/12/88/463261288.db2.gz NZPAYFDKYICOQW-LLVKDONJSA-N 1 2 340.387 2.439 40 0 EEABLO Cc1nn2cccnc2c1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000096436747 463265047 /nfs/dbraw/zinc/26/50/47/463265047.db2.gz OAHDZYNSPHFBPU-UHFFFAOYSA-N 1 2 346.394 2.428 40 0 EEABLO Cc1ccc(C)c([C@H]2C[N@H+](CCN3C(=O)CCC3=O)[C@H](C)CO2)c1 ZINC000096441487 463267477 /nfs/dbraw/zinc/26/74/77/463267477.db2.gz FLOGBWIYGTXXAV-NVXWUHKLSA-N 1 2 330.428 2.214 40 0 EEABLO Cc1ccc(C)c([C@H]2C[N@@H+](CCN3C(=O)CCC3=O)[C@H](C)CO2)c1 ZINC000096441487 463267480 /nfs/dbraw/zinc/26/74/80/463267480.db2.gz FLOGBWIYGTXXAV-NVXWUHKLSA-N 1 2 330.428 2.214 40 0 EEABLO Cn1ccnc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000096446533 463270877 /nfs/dbraw/zinc/27/08/77/463270877.db2.gz SKHCVBCOFDGGTC-MRXNPFEDSA-N 1 2 330.407 2.230 40 0 EEABLO Cn1ccnc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000096446533 463270881 /nfs/dbraw/zinc/27/08/81/463270881.db2.gz SKHCVBCOFDGGTC-MRXNPFEDSA-N 1 2 330.407 2.230 40 0 EEABLO Cc1nc([C@@H]2C[N@H+](CCCOc3ccccc3F)CCO2)cc(=O)[nH]1 ZINC000257290212 463764038 /nfs/dbraw/zinc/76/40/38/463764038.db2.gz QCAWVMMKBFXKCE-KRWDZBQOSA-N 1 2 347.390 2.472 40 0 EEABLO Cc1nc([C@@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)cc(=O)[nH]1 ZINC000257290212 463764046 /nfs/dbraw/zinc/76/40/46/463764046.db2.gz QCAWVMMKBFXKCE-KRWDZBQOSA-N 1 2 347.390 2.472 40 0 EEABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(N(C)C)n3)C2)c(C)n1 ZINC000257290606 463764137 /nfs/dbraw/zinc/76/41/37/463764137.db2.gz QDOJNNKDJRUECO-KRWDZBQOSA-N 1 2 329.448 2.246 40 0 EEABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(N(C)C)n3)C2)c(C)n1 ZINC000257290606 463764143 /nfs/dbraw/zinc/76/41/43/463764143.db2.gz QDOJNNKDJRUECO-KRWDZBQOSA-N 1 2 329.448 2.246 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)CCn3nccc3C)CC[N@@H+]2C)cc1 ZINC000257312657 463774015 /nfs/dbraw/zinc/77/40/15/463774015.db2.gz UOZYLCYJDSMQEM-GOSISDBHSA-N 1 2 342.443 2.106 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)CCn3nccc3C)CC[N@H+]2C)cc1 ZINC000257312657 463774017 /nfs/dbraw/zinc/77/40/17/463774017.db2.gz UOZYLCYJDSMQEM-GOSISDBHSA-N 1 2 342.443 2.106 40 0 EEABLO CC(=O)NCc1ccnc([C@@H]2CCC[N@H+]2Cc2ccnn2C(C)C)n1 ZINC000257339743 463786416 /nfs/dbraw/zinc/78/64/16/463786416.db2.gz ZDADADVUKUTWNX-KRWDZBQOSA-N 1 2 342.447 2.227 40 0 EEABLO CC(=O)NCc1ccnc([C@@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)n1 ZINC000257339743 463786422 /nfs/dbraw/zinc/78/64/22/463786422.db2.gz ZDADADVUKUTWNX-KRWDZBQOSA-N 1 2 342.447 2.227 40 0 EEABLO O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263913687 464237091 /nfs/dbraw/zinc/23/70/91/464237091.db2.gz NCAWZRPYDLVYDL-STQMWFEESA-N 1 2 344.381 2.390 40 0 EEABLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000189063849 464426726 /nfs/dbraw/zinc/42/67/26/464426726.db2.gz KUJZOLGCCWVGBO-UONOGXRCSA-N 1 2 334.468 2.217 40 0 EEABLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000189063849 464426731 /nfs/dbraw/zinc/42/67/31/464426731.db2.gz KUJZOLGCCWVGBO-UONOGXRCSA-N 1 2 334.468 2.217 40 0 EEABLO c1ccc(C[NH+]2CC3(C2)C[C@@H](CCOc2cnccn2)CCO3)nc1 ZINC000248105804 464730066 /nfs/dbraw/zinc/73/00/66/464730066.db2.gz PCMDBBVOYRKJNK-INIZCTEOSA-N 1 2 340.427 2.322 40 0 EEABLO C[N@@H+]1CC[C@H](Nc2ncnc3[nH]cnc32)[C@H]1c1ccc(F)c(F)c1 ZINC000252537585 464981012 /nfs/dbraw/zinc/98/10/12/464981012.db2.gz LRIHMPKQHYTWLD-GXTWGEPZSA-N 1 2 330.342 2.488 40 0 EEABLO C[N@H+]1CC[C@H](Nc2ncnc3[nH]cnc32)[C@H]1c1ccc(F)c(F)c1 ZINC000252537585 464981016 /nfs/dbraw/zinc/98/10/16/464981016.db2.gz LRIHMPKQHYTWLD-GXTWGEPZSA-N 1 2 330.342 2.488 40 0 EEABLO c1nc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n(-c2ccccc2)n1 ZINC000253396361 465000528 /nfs/dbraw/zinc/00/05/28/465000528.db2.gz AJBBMKXNWHVGSB-OAHLLOKOSA-N 1 2 349.442 2.185 40 0 EEABLO c1nc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n(-c2ccccc2)n1 ZINC000253396361 465000538 /nfs/dbraw/zinc/00/05/38/465000538.db2.gz AJBBMKXNWHVGSB-OAHLLOKOSA-N 1 2 349.442 2.185 40 0 EEABLO Cc1ccc(F)c(-c2cc(NC(=O)CCc3c[nH+]cn3C)n[nH]2)c1 ZINC000330031862 465512525 /nfs/dbraw/zinc/51/25/25/465512525.db2.gz FELNPWZYHSFDLS-UHFFFAOYSA-N 1 2 327.363 2.829 40 0 EEABLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000332841818 466576589 /nfs/dbraw/zinc/57/65/89/466576589.db2.gz LHEYQTUHDYWZQM-UKRRQHHQSA-N 1 2 328.420 2.420 40 0 EEABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)Cc2ccnn21 ZINC000585111901 468975194 /nfs/dbraw/zinc/97/51/94/468975194.db2.gz ISXKPNBNLSPCHL-CYBMUJFWSA-N 1 2 336.798 2.369 40 0 EEABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)Cc2ccnn21 ZINC000585111901 468975198 /nfs/dbraw/zinc/97/51/98/468975198.db2.gz ISXKPNBNLSPCHL-CYBMUJFWSA-N 1 2 336.798 2.369 40 0 EEABLO Cc1ccc(C[C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)C[C@@H]2O)cc1 ZINC000585288982 469009501 /nfs/dbraw/zinc/00/95/01/469009501.db2.gz MATNVKWOAKVUHP-LLHDCHNASA-N 1 2 325.412 2.183 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)Cn3nc(C)cc3C)CC[N@@H+]2C)cc1 ZINC000257202163 536944304 /nfs/dbraw/zinc/94/43/04/536944304.db2.gz AKSWZXDIPDHRTJ-GOSISDBHSA-N 1 2 342.443 2.024 40 0 EEABLO COc1ccc([C@H]2CN(C(=O)Cn3nc(C)cc3C)CC[N@H+]2C)cc1 ZINC000257202163 536944309 /nfs/dbraw/zinc/94/43/09/536944309.db2.gz AKSWZXDIPDHRTJ-GOSISDBHSA-N 1 2 342.443 2.024 40 0 EEABLO O=C1CO[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2N1c1ccccc1 ZINC000067897050 215245456 /nfs/dbraw/zinc/24/54/56/215245456.db2.gz DGQDSHAKOJDZLF-MSOLQXFVSA-N 1 2 326.371 2.442 40 0 biogenic,in-vitro EEABLO O=C1CO[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]2N1c1ccccc1 ZINC000067897050 215245459 /nfs/dbraw/zinc/24/54/59/215245459.db2.gz DGQDSHAKOJDZLF-MSOLQXFVSA-N 1 2 326.371 2.442 40 0 biogenic,in-vitro EEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)[nH+]1 ZINC000257231317 244212575 /nfs/dbraw/zinc/21/25/75/244212575.db2.gz GGDNPZVADKAVJJ-AWEZNQCLSA-N 1 2 340.427 2.338 40 0 EEABLO Cc1[nH+]cc(-c2nccnc2C[C@@H]2CCCN(c3ccncn3)C2)n1C ZINC000257266301 244361778 /nfs/dbraw/zinc/36/17/78/244361778.db2.gz MCIZUECQSZBFKE-HNNXBMFYSA-N 1 2 349.442 2.435 40 0 EEABLO Cc1ccc2occ(C[N@H+]3CCc4c(nc(C)[nH]c4=O)C3)c(=O)c2c1 ZINC000019219835 212005174 /nfs/dbraw/zinc/00/51/74/212005174.db2.gz JVMMDHYQUCGGQD-UHFFFAOYSA-N 1 2 337.379 2.051 40 0 EEABLO Cc1ccc2occ(C[N@@H+]3CCc4c(nc(C)[nH]c4=O)C3)c(=O)c2c1 ZINC000019219835 212005177 /nfs/dbraw/zinc/00/51/77/212005177.db2.gz JVMMDHYQUCGGQD-UHFFFAOYSA-N 1 2 337.379 2.051 40 0 EEABLO Cc1cc(C)n(CC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000079363167 217216620 /nfs/dbraw/zinc/21/66/20/217216620.db2.gz FREUMBUXQAHGGP-HNNXBMFYSA-N 1 2 336.386 2.197 40 0 EEABLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1nc2c(s1)COCC2 ZINC000096434988 218812500 /nfs/dbraw/zinc/81/25/00/218812500.db2.gz DBQXSDHPURZARB-UHFFFAOYSA-N 1 2 335.433 2.390 40 0 EEABLO CCOC[C@@H]1CN(C(=O)N2CCCC2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060344 286153097 /nfs/dbraw/zinc/15/30/97/286153097.db2.gz CZNYQUHOBQJYFY-HNNXBMFYSA-N 1 2 332.448 2.445 40 0 EEABLO Nc1nc[nH+]c(N)c1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000001750830 462586577 /nfs/dbraw/zinc/58/65/77/462586577.db2.gz PUNJIWFWNJWFPA-UHFFFAOYSA-N 1 2 333.351 2.124 40 0 EEABLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCOC[C@H]1C1CC1 ZINC000089890156 462735065 /nfs/dbraw/zinc/73/50/65/462735065.db2.gz JNYRGTIORGDMNE-SFHVURJKSA-N 1 2 340.427 2.252 40 0 EEABLO CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161644 462843282 /nfs/dbraw/zinc/84/32/82/462843282.db2.gz AULKNMMGDAKYIW-OCCSQVGLSA-N 1 2 337.786 2.163 40 0 EEABLO CC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161644 462843284 /nfs/dbraw/zinc/84/32/84/462843284.db2.gz AULKNMMGDAKYIW-OCCSQVGLSA-N 1 2 337.786 2.163 40 0 EEABLO CC[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161644 462843288 /nfs/dbraw/zinc/84/32/88/462843288.db2.gz AULKNMMGDAKYIW-OCCSQVGLSA-N 1 2 337.786 2.163 40 0 EEABLO CC[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161644 462843290 /nfs/dbraw/zinc/84/32/90/462843290.db2.gz AULKNMMGDAKYIW-OCCSQVGLSA-N 1 2 337.786 2.163 40 0 EEABLO CCN(C[C@@H]1COc2ccccc2O1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077188451 462949639 /nfs/dbraw/zinc/94/96/39/462949639.db2.gz OWQPKPIEXBDSKM-CQSZACIVSA-N 1 2 337.383 2.329 40 0 EEABLO COc1cccc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)n1 ZINC000077266542 462960595 /nfs/dbraw/zinc/96/05/95/462960595.db2.gz JPCONFIXRIJGID-QGZVFWFLSA-N 1 2 338.411 2.217 40 0 biogenic,in-vitro EEABLO COc1cccc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)n1 ZINC000077266542 462960596 /nfs/dbraw/zinc/96/05/96/462960596.db2.gz JPCONFIXRIJGID-QGZVFWFLSA-N 1 2 338.411 2.217 40 0 biogenic,in-vitro EEABLO O=C(c1cccnc1)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000096040692 463144846 /nfs/dbraw/zinc/14/48/46/463144846.db2.gz DMSMUENQAYZNTF-JZXOWHBKSA-N 1 2 338.411 2.208 40 0 EEABLO c1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)nc1 ZINC000096041643 463146245 /nfs/dbraw/zinc/14/62/45/463146245.db2.gz BGAWXLGMFHUBJC-IPMKNSEASA-N 1 2 332.444 2.257 40 0 EEABLO c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)nc1 ZINC000096041643 463146247 /nfs/dbraw/zinc/14/62/47/463146247.db2.gz BGAWXLGMFHUBJC-IPMKNSEASA-N 1 2 332.444 2.257 40 0 EEABLO COc1ccc(C[N@H+]2Cc3nnn(C)c3[C@H](COCC3CC3)C2)cc1 ZINC000096060715 463159623 /nfs/dbraw/zinc/15/96/23/463159623.db2.gz DRKWDWKEEDTEPN-INIZCTEOSA-N 1 2 342.443 2.350 40 0 EEABLO COc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCC3CC3)C2)cc1 ZINC000096060715 463159626 /nfs/dbraw/zinc/15/96/26/463159626.db2.gz DRKWDWKEEDTEPN-INIZCTEOSA-N 1 2 342.443 2.350 40 0 EEABLO Cc1nc(C[N@@H+]2CCC[C@]3(C(=O)[O-])C[NH+](CC4CC4)C[C@@H]3C2)cs1 ZINC000096064238 463162864 /nfs/dbraw/zinc/16/28/64/463162864.db2.gz DQBVFVCDOKELSM-YJBOKZPZSA-N 1 2 349.500 2.460 40 0 EEABLO Cc1nc(C[N@H+]2CCC[C@]3(C(=O)[O-])C[NH+](CC4CC4)C[C@@H]3C2)cs1 ZINC000096064238 463162871 /nfs/dbraw/zinc/16/28/71/463162871.db2.gz DQBVFVCDOKELSM-YJBOKZPZSA-N 1 2 349.500 2.460 40 0 EEABLO Cc1nc(C[NH+]2CCC[C@]3(C(=O)[O-])C[N@H+](CC4CC4)C[C@@H]3C2)cs1 ZINC000096064238 463162873 /nfs/dbraw/zinc/16/28/73/463162873.db2.gz DQBVFVCDOKELSM-YJBOKZPZSA-N 1 2 349.500 2.460 40 0 EEABLO Cc1nc(C[NH+]2CCC[C@]3(C(=O)[O-])C[N@@H+](CC4CC4)C[C@@H]3C2)cs1 ZINC000096064238 463162879 /nfs/dbraw/zinc/16/28/79/463162879.db2.gz DQBVFVCDOKELSM-YJBOKZPZSA-N 1 2 349.500 2.460 40 0 EEABLO Fc1cccnc1N1CCC[C@@]2(CN(c3cccc[nH+]3)CCO2)C1 ZINC000096074787 463167613 /nfs/dbraw/zinc/16/76/13/463167613.db2.gz DQIQXAOVEPMUND-GOSISDBHSA-N 1 2 328.391 2.492 40 0 EEABLO O=C1[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2OCCN1c1ccsc1 ZINC000096107139 463175570 /nfs/dbraw/zinc/17/55/70/463175570.db2.gz URCIUFZGTPAXFG-KGLIPLIRSA-N 1 2 349.481 2.459 40 0 EEABLO O=C1[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2OCCN1c1ccsc1 ZINC000096107139 463175572 /nfs/dbraw/zinc/17/55/72/463175572.db2.gz URCIUFZGTPAXFG-KGLIPLIRSA-N 1 2 349.481 2.459 40 0 EEABLO Cc1ncccc1NC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096226107 463221470 /nfs/dbraw/zinc/22/14/70/463221470.db2.gz HYRQBHFXKOWIKP-SFHVURJKSA-N 1 2 340.383 2.343 40 0 EEABLO Cc1ncccc1NC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096226107 463221473 /nfs/dbraw/zinc/22/14/73/463221473.db2.gz HYRQBHFXKOWIKP-SFHVURJKSA-N 1 2 340.383 2.343 40 0 EEABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)S1 ZINC000096443746 463268408 /nfs/dbraw/zinc/26/84/08/463268408.db2.gz MMYTZHMNMDYIHE-SNVBAGLBSA-N 1 2 336.486 2.270 40 0 EEABLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000097378954 463357900 /nfs/dbraw/zinc/35/79/00/463357900.db2.gz XEHRIFFJUFOPPP-OAHLLOKOSA-N 1 2 325.412 2.235 40 0 EEABLO Cc1nc2c(ncnc2N2CC[NH+](Cc3ccccc3F)CC2)[nH]1 ZINC000041121232 463468866 /nfs/dbraw/zinc/46/88/66/463468866.db2.gz YZOYMZYKCNUSAM-UHFFFAOYSA-N 1 2 326.379 2.123 40 0 EEABLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)[C@@H]2C=CCCC2)c1 ZINC000083248870 463544078 /nfs/dbraw/zinc/54/40/78/463544078.db2.gz MSLWAPZLHCBTGZ-CYBMUJFWSA-N 1 2 329.404 2.220 40 0 EEABLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)[C@@H]2C=CCCC2)c1 ZINC000083248870 463544083 /nfs/dbraw/zinc/54/40/83/463544083.db2.gz MSLWAPZLHCBTGZ-CYBMUJFWSA-N 1 2 329.404 2.220 40 0 EEABLO COc1c(C)cc(Br)cc1C(=O)N1CC[NH+](C)CC1 ZINC000059843545 463645168 /nfs/dbraw/zinc/64/51/68/463645168.db2.gz IKBPLEMIGBESOP-UHFFFAOYSA-N 1 2 327.222 2.154 40 0 EEABLO Cc1c(CCC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)cnn1C ZINC000257278446 463758633 /nfs/dbraw/zinc/75/86/33/463758633.db2.gz OCHVSJHOVMIJNJ-QGZVFWFLSA-N 1 2 341.459 2.486 40 0 EEABLO Cc1cc(C)n(CC(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257281137 463759669 /nfs/dbraw/zinc/75/96/69/463759669.db2.gz ONUDTNDNHNWEEC-KRWDZBQOSA-N 1 2 341.459 2.367 40 0 EEABLO COc1cc(CCC(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)on1 ZINC000257282449 463760168 /nfs/dbraw/zinc/76/01/68/463760168.db2.gz OTUWVYZKLRGQAM-CYBMUJFWSA-N 1 2 332.404 2.064 40 0 EEABLO c1cc(CC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)ncn1 ZINC000257283045 463761247 /nfs/dbraw/zinc/76/12/47/463761247.db2.gz OWOGHJAHEJKYPC-QGZVFWFLSA-N 1 2 341.411 2.081 40 0 EEABLO c1cc(CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)ncn1 ZINC000257283045 463761251 /nfs/dbraw/zinc/76/12/51/463761251.db2.gz OWOGHJAHEJKYPC-QGZVFWFLSA-N 1 2 341.411 2.081 40 0 EEABLO COc1ccccc1CN1CCO[C@@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257295302 463766113 /nfs/dbraw/zinc/76/61/13/463766113.db2.gz QXTYIXKHJPDTRP-QGZVFWFLSA-N 1 2 330.432 2.053 40 0 EEABLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000195564309 464077186 /nfs/dbraw/zinc/07/71/86/464077186.db2.gz AQZAANGYLNQPRG-TZMCWYRMSA-N 1 2 346.349 2.330 40 0 EEABLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000195564309 464077194 /nfs/dbraw/zinc/07/71/94/464077194.db2.gz AQZAANGYLNQPRG-TZMCWYRMSA-N 1 2 346.349 2.330 40 0 EEABLO Cc1ccc(C)n1-n1c(CN2CCCC2)nnc1C[NH+]1CCCC1 ZINC000225150935 464154719 /nfs/dbraw/zinc/15/47/19/464154719.db2.gz GJZQKYNEFWEXOR-UHFFFAOYSA-N 1 2 328.464 2.199 40 0 EEABLO Nc1c(F)cc(Cl)cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000225562977 464172455 /nfs/dbraw/zinc/17/24/55/464172455.db2.gz WKDMFLRZAASTEJ-NSHDSACASA-N 1 2 334.782 2.465 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccoc1)c1ccco1 ZINC000247489325 464684642 /nfs/dbraw/zinc/68/46/42/464684642.db2.gz LVNNOTDGGPRCMR-UXLLHSPISA-N 1 2 330.384 2.282 40 0 EEABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccoc1)c1ccco1 ZINC000247489325 464684650 /nfs/dbraw/zinc/68/46/50/464684650.db2.gz LVNNOTDGGPRCMR-UXLLHSPISA-N 1 2 330.384 2.282 40 0 EEABLO CO[C@H]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000191237515 464804836 /nfs/dbraw/zinc/80/48/36/464804836.db2.gz KMVPOYSLXAMEKY-SJORKVTESA-N 1 2 328.416 2.298 40 0 EEABLO CC(C)N(C)c1cnn([C@H]2CCCN(c3cccc[nH+]3)C2)c(=O)c1 ZINC000252503527 464972690 /nfs/dbraw/zinc/97/26/90/464972690.db2.gz VERRURQMTRPQHQ-HNNXBMFYSA-N 1 2 327.432 2.324 40 0 EEABLO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000252535769 464981579 /nfs/dbraw/zinc/98/15/79/464981579.db2.gz GVGKSTHOYNYQAX-AEFFLSMTSA-N 1 2 330.428 2.067 40 0 EEABLO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000252535769 464981586 /nfs/dbraw/zinc/98/15/86/464981586.db2.gz GVGKSTHOYNYQAX-AEFFLSMTSA-N 1 2 330.428 2.067 40 0 EEABLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[S@@](=O)C1 ZINC000253429424 465012207 /nfs/dbraw/zinc/01/22/07/465012207.db2.gz SDDMRPXJKDPFBO-AMXDTQDGSA-N 1 2 338.864 2.121 40 0 EEABLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[S@@](=O)C1 ZINC000253429424 465012211 /nfs/dbraw/zinc/01/22/11/465012211.db2.gz SDDMRPXJKDPFBO-AMXDTQDGSA-N 1 2 338.864 2.121 40 0 EEABLO Cc1cc(CN2Cc3c[nH+]cn3[C@H](COc3ccccn3)C2)no1 ZINC000306138056 466494283 /nfs/dbraw/zinc/49/42/83/466494283.db2.gz RNWBCOGMVGACAA-INIZCTEOSA-N 1 2 325.372 2.210 40 0 EEABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC(OCC(F)(F)F)C1 ZINC000390830948 467412986 /nfs/dbraw/zinc/41/29/86/467412986.db2.gz OMOBHFIFRIVDMM-UHFFFAOYSA-N 1 2 339.317 2.335 40 0 EEABLO CO[C@]1(COc2ccc(F)cc2)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585277806 469003700 /nfs/dbraw/zinc/00/37/00/469003700.db2.gz POQDOYLNFPTJEG-GOSISDBHSA-N 1 2 347.390 2.178 40 0 EEABLO Cc1cc2occ(CC(=O)NCC[NH+]3CCOCC3)c2cc1Cl ZINC000039892735 213243283 /nfs/dbraw/zinc/24/32/83/213243283.db2.gz AXSASCUZHJZIEH-UHFFFAOYSA-N 1 2 336.819 2.386 40 0 EEABLO O=C(NCCOc1ncccc1Cl)N[C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000096473500 237059974 /nfs/dbraw/zinc/05/99/74/237059974.db2.gz SBKMIWKRMUTWTC-UONOGXRCSA-N 1 2 349.822 2.403 40 0 EEABLO NC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072361810 216168567 /nfs/dbraw/zinc/16/85/67/216168567.db2.gz YZCHVLAYKFNDDC-GFCCVEGCSA-N 1 2 330.363 2.073 40 0 EEABLO NC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072361810 216168570 /nfs/dbraw/zinc/16/85/70/216168570.db2.gz YZCHVLAYKFNDDC-GFCCVEGCSA-N 1 2 330.363 2.073 40 0 EEABLO O=C(Nc1cccc(-c2nc[nH]n2)c1)C1CC[NH+](CC(F)F)CC1 ZINC000225803792 242043577 /nfs/dbraw/zinc/04/35/77/242043577.db2.gz IIALCLSILIEBMR-UHFFFAOYSA-N 1 2 335.358 2.387 40 0 EEABLO CCc1[nH+]c2cc(NC(=O)[C@H](C)N3CCOCC3)ccc2n1CC ZINC000019523199 212036492 /nfs/dbraw/zinc/03/64/92/212036492.db2.gz XHOIQHRNYSIYSR-ZDUSSCGKSA-N 1 2 330.432 2.278 40 0 EEABLO CC(C)(C)n1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000078112868 217023508 /nfs/dbraw/zinc/02/35/08/217023508.db2.gz NLSGUSPDGZHXQI-KRWDZBQOSA-N 1 2 342.443 2.478 40 0 EEABLO CC(C)(C)n1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000078112868 217023510 /nfs/dbraw/zinc/02/35/10/217023510.db2.gz NLSGUSPDGZHXQI-KRWDZBQOSA-N 1 2 342.443 2.478 40 0 EEABLO O=C1N(C2CCOCC2)C[C@H]2C[N@H+](Cc3cccc(Cl)c3)CCN12 ZINC000085436211 217667774 /nfs/dbraw/zinc/66/77/74/217667774.db2.gz ZWPKOMRHBYCNTF-QGZVFWFLSA-N 1 2 349.862 2.441 40 0 biogenic,in-vitro EEABLO O=C1N(C2CCOCC2)C[C@H]2C[N@@H+](Cc3cccc(Cl)c3)CCN12 ZINC000085436211 217667776 /nfs/dbraw/zinc/66/77/76/217667776.db2.gz ZWPKOMRHBYCNTF-QGZVFWFLSA-N 1 2 349.862 2.441 40 0 biogenic,in-vitro EEABLO COc1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1O ZINC000093416509 218225385 /nfs/dbraw/zinc/22/53/85/218225385.db2.gz KWHMOMUSSFWECS-UHFFFAOYSA-N 1 2 336.329 2.419 40 0 EEABLO O=C(Nc1cccnc1)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096253336 218724046 /nfs/dbraw/zinc/72/40/46/218724046.db2.gz WABPRDUHIJULTB-FGTMMUONSA-N 1 2 341.386 2.449 40 0 EEABLO O=C(Nc1cccnc1)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096253336 218724048 /nfs/dbraw/zinc/72/40/48/218724048.db2.gz WABPRDUHIJULTB-FGTMMUONSA-N 1 2 341.386 2.449 40 0 EEABLO c1cc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cs1 ZINC000096049137 463153634 /nfs/dbraw/zinc/15/36/34/463153634.db2.gz PYIWXQSQNGOUFJ-QGZVFWFLSA-N 1 2 330.457 2.410 40 0 EEABLO c1cc(C[N@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cs1 ZINC000096049137 463153635 /nfs/dbraw/zinc/15/36/35/463153635.db2.gz PYIWXQSQNGOUFJ-QGZVFWFLSA-N 1 2 330.457 2.410 40 0 EEABLO O=C(c1cccnc1)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096187972 463199739 /nfs/dbraw/zinc/19/97/39/463199739.db2.gz CVEQWODBXDHXHM-OAHLLOKOSA-N 1 2 349.394 2.024 40 0 EEABLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)NCCc2cscn2)CC1 ZINC000096503186 463292556 /nfs/dbraw/zinc/29/25/56/463292556.db2.gz BRNAWOYHOUDFRO-CQSZACIVSA-N 1 2 345.472 2.169 40 0 EEABLO CC(C)n1nccc1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000044875181 463697729 /nfs/dbraw/zinc/69/77/29/463697729.db2.gz QGLVYFKRGQAKLO-UHFFFAOYSA-N 1 2 345.422 2.364 40 0 EEABLO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2cncc(CNC(C)=O)n2)cn1 ZINC000257280809 463760640 /nfs/dbraw/zinc/76/06/40/463760640.db2.gz OMNFOUQXGWPMEB-GOSISDBHSA-N 1 2 342.447 2.056 40 0 EEABLO CCCn1cc(C[N@H+]2CCC[C@@H]2c2cncc(CNC(C)=O)n2)cn1 ZINC000257280809 463760642 /nfs/dbraw/zinc/76/06/42/463760642.db2.gz OMNFOUQXGWPMEB-GOSISDBHSA-N 1 2 342.447 2.056 40 0 EEABLO CC(=O)N[C@@H](c1nccs1)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000257282903 463762130 /nfs/dbraw/zinc/76/21/30/463762130.db2.gz OVUUQIBJOXHMMH-OAHLLOKOSA-N 1 2 331.445 2.335 40 0 EEABLO CCCn1cc[nH+]c1CN1CCC[C@@H]1c1nccc(CNC(C)=O)n1 ZINC000257341952 463786105 /nfs/dbraw/zinc/78/61/05/463786105.db2.gz ZMOBFTZMZBKKCG-MRXNPFEDSA-N 1 2 342.447 2.056 40 0 EEABLO O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000194327000 463837479 /nfs/dbraw/zinc/83/74/79/463837479.db2.gz XGYNHBQBLBQYSJ-HSALFYBXSA-N 1 2 348.450 2.247 40 0 EEABLO OC[C@H](Cc1ccccc1)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000225489272 464164623 /nfs/dbraw/zinc/16/46/23/464164623.db2.gz AJCXXOWKGFYMTG-HNNXBMFYSA-N 1 2 330.457 2.045 40 0 EEABLO OC[C@H](Cc1ccccc1)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000225489272 464164627 /nfs/dbraw/zinc/16/46/27/464164627.db2.gz AJCXXOWKGFYMTG-HNNXBMFYSA-N 1 2 330.457 2.045 40 0 EEABLO CNS(=O)(=O)c1cccc2c1CC[N@@H+]([C@H](C)c1ccccn1)C2 ZINC000240894775 464449261 /nfs/dbraw/zinc/44/92/61/464449261.db2.gz IPUHTFJQCAGXOD-CYBMUJFWSA-N 1 2 331.441 2.109 40 0 EEABLO CNS(=O)(=O)c1cccc2c1CC[N@H+]([C@H](C)c1ccccn1)C2 ZINC000240894775 464449264 /nfs/dbraw/zinc/44/92/64/464449264.db2.gz IPUHTFJQCAGXOD-CYBMUJFWSA-N 1 2 331.441 2.109 40 0 EEABLO Fc1cccnc1OC[C@@H]1CCOC12C[NH+](Cc1cccnc1)C2 ZINC000247507627 464687682 /nfs/dbraw/zinc/68/76/82/464687682.db2.gz HJLPBOFMIYMYHO-HNNXBMFYSA-N 1 2 329.375 2.286 40 0 EEABLO CCOC[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)Cc2c[nH+]cn21 ZINC000248080898 464728403 /nfs/dbraw/zinc/72/84/03/464728403.db2.gz VHXSVSUQNWWVBB-AWEZNQCLSA-N 1 2 339.399 2.003 40 0 EEABLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000191961252 464835620 /nfs/dbraw/zinc/83/56/20/464835620.db2.gz CRPLEHAIHQPJQX-LLVKDONJSA-N 1 2 346.460 2.025 40 0 EEABLO CC(C)N(C)c1cnn([C@@H]2CCCN(c3cccc[nH+]3)C2)c(=O)c1 ZINC000252503528 464972605 /nfs/dbraw/zinc/97/26/05/464972605.db2.gz VERRURQMTRPQHQ-OAHLLOKOSA-N 1 2 327.432 2.324 40 0 EEABLO CCCCc1[nH]c(CN2CCOC[C@@H]2c2nc(C)cc(NC)n2)c[nH+]1 ZINC000257270921 535101874 /nfs/dbraw/zinc/10/18/74/535101874.db2.gz MWEUFGJNLJYNGZ-OAHLLOKOSA-N 1 2 344.463 2.466 40 0 EEABLO CCCCc1[nH]cc(CN2CCOC[C@@H]2c2nc(C)cc(NC)n2)[nH+]1 ZINC000257270921 535101887 /nfs/dbraw/zinc/10/18/87/535101887.db2.gz MWEUFGJNLJYNGZ-OAHLLOKOSA-N 1 2 344.463 2.466 40 0 EEABLO CCn1cc(C(=O)N2CC[NH+](CC)CC2)c(=O)c2cc(Cl)ccc21 ZINC000022234955 212283618 /nfs/dbraw/zinc/28/36/18/212283618.db2.gz MUCZXZQNPQHVBV-UHFFFAOYSA-N 1 2 347.846 2.453 40 0 EEABLO Fc1ccnc(Nc2nccc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000257219779 244182018 /nfs/dbraw/zinc/18/20/18/244182018.db2.gz DICITLGLQCYNQT-GFCCVEGCSA-N 1 2 339.378 2.467 40 0 EEABLO Fc1ccnc(Nc2nccc([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000257219779 244182026 /nfs/dbraw/zinc/18/20/26/244182026.db2.gz DICITLGLQCYNQT-GFCCVEGCSA-N 1 2 339.378 2.467 40 0 EEABLO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cn2)n1 ZINC000257259540 244293460 /nfs/dbraw/zinc/29/34/60/244293460.db2.gz KYVDEQZCNQLXCD-QGZVFWFLSA-N 1 2 345.834 2.498 40 0 EEABLO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cn2)n1 ZINC000257259540 244293464 /nfs/dbraw/zinc/29/34/64/244293464.db2.gz KYVDEQZCNQLXCD-QGZVFWFLSA-N 1 2 345.834 2.498 40 0 EEABLO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc3c2CCCC3)C[C@]12CCCO2 ZINC000257267027 244363588 /nfs/dbraw/zinc/36/35/88/244363588.db2.gz MFRFGGKTIIFCAM-UYAOXDASSA-N 1 2 344.455 2.384 40 0 EEABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc3c2CCCC3)C[C@]12CCCO2 ZINC000257267027 244363591 /nfs/dbraw/zinc/36/35/91/244363591.db2.gz MFRFGGKTIIFCAM-UYAOXDASSA-N 1 2 344.455 2.384 40 0 EEABLO Cc1cc(N(C)C2CC3(C2)CCN(C(=O)c2cccn2C)C3)nc[nH+]1 ZINC000257260172 244345970 /nfs/dbraw/zinc/34/59/70/244345970.db2.gz LBQFNLFDCWQAMS-UHFFFAOYSA-N 1 2 339.443 2.255 40 0 EEABLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257274028 244385375 /nfs/dbraw/zinc/38/53/75/244385375.db2.gz NJFZMOFBEAUPGW-HNNXBMFYSA-N 1 2 331.441 2.260 40 0 EEABLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257274028 244385383 /nfs/dbraw/zinc/38/53/83/244385383.db2.gz NJFZMOFBEAUPGW-HNNXBMFYSA-N 1 2 331.441 2.260 40 0 EEABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccccn3)[C@@H](C)C2)c1 ZINC000019575630 212046157 /nfs/dbraw/zinc/04/61/57/212046157.db2.gz HIRQHYJWFYNDJA-HNNXBMFYSA-N 1 2 325.412 2.437 40 0 EEABLO COc1cccc(C[N@H+]2CCN(C(=O)c3ccccn3)[C@@H](C)C2)c1 ZINC000019575630 212046159 /nfs/dbraw/zinc/04/61/59/212046159.db2.gz HIRQHYJWFYNDJA-HNNXBMFYSA-N 1 2 325.412 2.437 40 0 EEABLO COc1ccc(-c2ocnc2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000012221401 211323808 /nfs/dbraw/zinc/32/38/08/211323808.db2.gz LRUDWJSDHIAKMS-UHFFFAOYSA-N 1 2 326.356 2.367 40 0 EEABLO O=C(Nc1ccccc1)[C@H](c1ccc(Cl)cc1)[NH+](CCO)CCO ZINC000408734270 257890328 /nfs/dbraw/zinc/89/03/28/257890328.db2.gz MOZXIBZLNMPEPF-KRWDZBQOSA-N 1 2 348.830 2.306 40 0 EEABLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057363970 132200072 /nfs/dbraw/zinc/20/00/72/132200072.db2.gz ZXKVZWKPQWNGDK-QAPCUYQASA-N 1 2 331.460 2.209 40 0 EEABLO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000014400551 462926752 /nfs/dbraw/zinc/92/67/52/462926752.db2.gz FFKHSAHYUHAEEJ-OAHLLOKOSA-N 1 2 334.460 2.200 40 0 EEABLO CCc1nsc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000096469739 463278299 /nfs/dbraw/zinc/27/82/99/463278299.db2.gz CELNVGXUZIFKKU-LSDHHAIUSA-N 1 2 330.457 2.190 40 0 EEABLO CCc1nsc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000096469739 463278306 /nfs/dbraw/zinc/27/83/06/463278306.db2.gz CELNVGXUZIFKKU-LSDHHAIUSA-N 1 2 330.457 2.190 40 0 EEABLO CC[C@@H]([NH2+]Cc1noc2c1CCCC2)c1cccc(S(N)(=O)=O)c1 ZINC000096492685 463288196 /nfs/dbraw/zinc/28/81/96/463288196.db2.gz FSZUDPRYHAOHJJ-OAHLLOKOSA-N 1 2 349.456 2.442 40 0 EEABLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)NCc1cccc2c1OCO2 ZINC000096495802 463288985 /nfs/dbraw/zinc/28/89/85/463288985.db2.gz GUWGSTDYEBAHRI-UHFFFAOYSA-N 1 2 344.333 2.306 40 0 EEABLO Cc1[nH]ncc1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000097233916 463351622 /nfs/dbraw/zinc/35/16/22/463351622.db2.gz HOKSHLUUKLALIT-JTQLQIEISA-N 1 2 342.852 2.001 40 0 EEABLO Cc1cc2nc(C3CC[NH+](Cc4cc(C)on4)CC3)cc(=O)n2[nH]1 ZINC000257316068 463774453 /nfs/dbraw/zinc/77/44/53/463774453.db2.gz VDZIZEMKMKMULE-UHFFFAOYSA-N 1 2 327.388 2.419 40 0 EEABLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1nccn1C ZINC000186297096 463971273 /nfs/dbraw/zinc/97/12/73/463971273.db2.gz RGKOPRMUIJAGQC-CQSZACIVSA-N 1 2 348.472 2.153 40 0 EEABLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1nccn1C ZINC000186297096 463971281 /nfs/dbraw/zinc/97/12/81/463971281.db2.gz RGKOPRMUIJAGQC-CQSZACIVSA-N 1 2 348.472 2.153 40 0 EEABLO Nc1[nH+]cnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)c1Cl ZINC000225480547 464164046 /nfs/dbraw/zinc/16/40/46/464164046.db2.gz YLOFFABJZMIYHG-GFCCVEGCSA-N 1 2 345.834 2.359 40 0 EEABLO Nc1nc[nH+]c(N2CCC[C@H](CNC(=O)c3ccccc3)C2)c1Cl ZINC000225480547 464164047 /nfs/dbraw/zinc/16/40/47/464164047.db2.gz YLOFFABJZMIYHG-GFCCVEGCSA-N 1 2 345.834 2.359 40 0 EEABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cccnc1N1CCCC1)C2 ZINC000225520039 464167978 /nfs/dbraw/zinc/16/79/78/464167978.db2.gz WAUMGUUQUVHMKB-AWEZNQCLSA-N 1 2 339.443 2.135 40 0 EEABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cccnc1N1CCCC1)CC2 ZINC000225520039 464167983 /nfs/dbraw/zinc/16/79/83/464167983.db2.gz WAUMGUUQUVHMKB-AWEZNQCLSA-N 1 2 339.443 2.135 40 0 EEABLO CCOc1cccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000225712154 464181508 /nfs/dbraw/zinc/18/15/08/464181508.db2.gz JCVUESGSGUWTGN-CQSZACIVSA-N 1 2 349.456 2.387 40 0 EEABLO Cc1nc(N2CCC(C(=O)Nc3nncs3)CC2)c(C)c(C)[nH+]1 ZINC000240465825 464447145 /nfs/dbraw/zinc/44/71/45/464447145.db2.gz GANTXOSJXCTLCS-UHFFFAOYSA-N 1 2 332.433 2.108 40 0 EEABLO O=C(c1ccncc1)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000247857287 464710734 /nfs/dbraw/zinc/71/07/34/464710734.db2.gz KZBPVBJQAPWHMD-MRXNPFEDSA-N 1 2 338.411 2.210 40 0 EEABLO CCn1cc([C@@H]2C[N@H+](Cc3cccc(C(=O)N(C)C)c3)CCO2)cn1 ZINC000190813929 464725154 /nfs/dbraw/zinc/72/51/54/464725154.db2.gz HUHBCNWAOSQDKC-SFHVURJKSA-N 1 2 342.443 2.178 40 0 EEABLO CCn1cc([C@@H]2C[N@@H+](Cc3cccc(C(=O)N(C)C)c3)CCO2)cn1 ZINC000190813929 464725162 /nfs/dbraw/zinc/72/51/62/464725162.db2.gz HUHBCNWAOSQDKC-SFHVURJKSA-N 1 2 342.443 2.178 40 0 EEABLO O=C(Cc1ccccc1)N1C[C@H]2OC[C@@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306144170 466493980 /nfs/dbraw/zinc/49/39/80/466493980.db2.gz YXZHILNWYRWBCL-KZNAEPCWSA-N 1 2 337.423 2.210 40 0 EEABLO COCCn1cc[nH+]c1[C@H]1CN(C(=O)C2CC2)Cc2ccccc21 ZINC000306143600 466494233 /nfs/dbraw/zinc/49/42/33/466494233.db2.gz YGQXYNXFEMCEMD-KRWDZBQOSA-N 1 2 325.412 2.414 40 0 EEABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cnc2ccccc2c1 ZINC000585094569 468963222 /nfs/dbraw/zinc/96/32/22/468963222.db2.gz BWRYHHNFPKYVDS-HNNXBMFYSA-N 1 2 336.395 2.182 40 0 EEABLO CO[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1Cc1ccc(F)cc1 ZINC000585279239 469004929 /nfs/dbraw/zinc/00/49/29/469004929.db2.gz XYDQJFQEQVSYGV-RHSMWYFYSA-N 1 2 331.391 2.198 40 0 EEABLO CO[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1Cc1ccc(F)cc1 ZINC000585279238 469005046 /nfs/dbraw/zinc/00/50/46/469005046.db2.gz XYDQJFQEQVSYGV-PBHICJAKSA-N 1 2 331.391 2.198 40 0 EEABLO CO[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585279318 469006499 /nfs/dbraw/zinc/00/64/99/469006499.db2.gz KDTUWASUUVIGBD-AEFFLSMTSA-N 1 2 327.428 2.367 40 0 EEABLO O=C(C[N@@H+]1[C@H]2CC[C@H](C2)[C@H]1c1nc(-c2ccccc2)no1)N1CCC1 ZINC000036734667 213114728 /nfs/dbraw/zinc/11/47/28/213114728.db2.gz JQPOZDKUWZLNOL-VYDXJSESSA-N 1 2 338.411 2.494 40 0 EEABLO O=C(C[N@H+]1[C@H]2CC[C@H](C2)[C@H]1c1nc(-c2ccccc2)no1)N1CCC1 ZINC000036734667 213114730 /nfs/dbraw/zinc/11/47/30/213114730.db2.gz JQPOZDKUWZLNOL-VYDXJSESSA-N 1 2 338.411 2.494 40 0 EEABLO O=C(CCc1cccs1)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257201464 244122417 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Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](Cc1cccc(F)c1)CC3 ZINC000012408072 211370875 /nfs/dbraw/zinc/37/08/75/211370875.db2.gz YTCYVKXIHLEGPP-UHFFFAOYSA-N 1 2 326.375 2.483 40 0 EEABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](Cc1cccc(F)c1)CC3 ZINC000012408072 211370878 /nfs/dbraw/zinc/37/08/78/211370878.db2.gz YTCYVKXIHLEGPP-UHFFFAOYSA-N 1 2 326.375 2.483 40 0 EEABLO C=COCCNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000012145813 211305641 /nfs/dbraw/zinc/30/56/41/211305641.db2.gz AGXPIQBCOBKDKZ-CQSZACIVSA-N 1 2 328.416 2.066 40 0 EEABLO Cc1ccc(-c2ncc(C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)s2)cc1 ZINC000091865664 218079610 /nfs/dbraw/zinc/07/96/10/218079610.db2.gz XLWVHFHNSHYDFY-CQSZACIVSA-N 1 2 328.441 2.328 40 0 EEABLO Cc1ccc(-c2ncc(C[N@H+]3CCN4C(=O)NC[C@@H]4C3)s2)cc1 ZINC000091865664 218079613 /nfs/dbraw/zinc/07/96/13/218079613.db2.gz XLWVHFHNSHYDFY-CQSZACIVSA-N 1 2 328.441 2.328 40 0 EEABLO Brc1ccc2[nH+]cc(CN3CCC4(C3)OCCO4)n2c1 ZINC000093012921 218186081 /nfs/dbraw/zinc/18/60/81/218186081.db2.gz 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ZINC000097378145 323322086 /nfs/dbraw/zinc/32/20/86/323322086.db2.gz AQZAANGYLNQPRG-JSGCOSHPSA-N 1 2 346.349 2.330 40 0 EEABLO CC(C)Oc1ccc(C(=O)N2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000075158002 462688897 /nfs/dbraw/zinc/68/88/97/462688897.db2.gz KNUZJKDEWCFCJV-UHFFFAOYSA-N 1 2 342.443 2.128 40 0 EEABLO CC(C)Oc1ccc(C(=O)N2CCN(CCn3cc[nH+]c3)CC2)cc1 ZINC000075158002 462688898 /nfs/dbraw/zinc/68/88/98/462688898.db2.gz KNUZJKDEWCFCJV-UHFFFAOYSA-N 1 2 342.443 2.128 40 0 EEABLO O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@H+](Cc3cccnc3)CCN12 ZINC000077266661 462960884 /nfs/dbraw/zinc/96/08/84/462960884.db2.gz XHNJOFJZQDYOBE-GOSISDBHSA-N 1 2 340.402 2.343 40 0 biogenic,in-vitro EEABLO O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@@H+](Cc3cccnc3)CCN12 ZINC000077266661 462960891 /nfs/dbraw/zinc/96/08/91/462960891.db2.gz XHNJOFJZQDYOBE-GOSISDBHSA-N 1 2 340.402 2.343 40 0 biogenic,in-vitro EEABLO c1csc(C[N@H+]2CC[C@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC000096062437 463162556 /nfs/dbraw/zinc/16/25/56/463162556.db2.gz PWALRXNYIIBBQJ-GOSISDBHSA-N 1 2 344.484 2.263 40 0 EEABLO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC000096062437 463162560 /nfs/dbraw/zinc/16/25/60/463162560.db2.gz PWALRXNYIIBBQJ-GOSISDBHSA-N 1 2 344.484 2.263 40 0 EEABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CCC3)C2)on1 ZINC000096207861 463210341 /nfs/dbraw/zinc/21/03/41/463210341.db2.gz ICSHIXXUQIOWTA-OAHLLOKOSA-N 1 2 344.415 2.268 40 0 EEABLO O=C(C[C@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)Nc1cccnc1 ZINC000096216861 463215509 /nfs/dbraw/zinc/21/55/09/463215509.db2.gz KRTXPFPGRYGOHR-NWANDNLSSA-N 1 2 344.440 2.014 40 0 EEABLO O=C(C[C@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)Nc1cccnc1 ZINC000096216861 463215514 /nfs/dbraw/zinc/21/55/14/463215514.db2.gz KRTXPFPGRYGOHR-NWANDNLSSA-N 1 2 344.440 2.014 40 0 EEABLO CN(C)C(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000096489724 463287117 /nfs/dbraw/zinc/28/71/17/463287117.db2.gz GVNIGIUGDNYMQV-UHFFFAOYSA-N 1 2 331.395 2.015 40 0 EEABLO C[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@H](C)O1 ZINC000083669018 463553488 /nfs/dbraw/zinc/55/34/88/463553488.db2.gz PSWJOYMCCDLMRG-IYBDPMFKSA-N 1 2 342.443 2.445 40 0 EEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)Cn2cc(Cl)cn2)cc[nH+]1 ZINC000257284721 463761263 /nfs/dbraw/zinc/76/12/63/463761263.db2.gz PDZGQTFGTHJYLB-AWEZNQCLSA-N 1 2 333.823 2.361 40 0 EEABLO O=C(CCc1cc(Cl)no1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257295029 463766435 /nfs/dbraw/zinc/76/64/35/463766435.db2.gz QWQOMOSYRXPPHQ-GFCCVEGCSA-N 1 2 334.807 2.441 40 0 EEABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(N3CCCC3)nc1)C2 ZINC000225520494 464168028 /nfs/dbraw/zinc/16/80/28/464168028.db2.gz YUVQPNJQAXRADG-OAHLLOKOSA-N 1 2 339.443 2.135 40 0 EEABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(N3CCCC3)nc1)CC2 ZINC000225520494 464168031 /nfs/dbraw/zinc/16/80/31/464168031.db2.gz YUVQPNJQAXRADG-OAHLLOKOSA-N 1 2 339.443 2.135 40 0 EEABLO Cc1noc(C)c1C[N@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514289759 467941691 /nfs/dbraw/zinc/94/16/91/467941691.db2.gz OBGXSXBNJXWEEZ-WBVHZDCISA-N 1 2 327.384 2.009 40 0 biogenic,in-vitro EEABLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514289759 467941694 /nfs/dbraw/zinc/94/16/94/467941694.db2.gz OBGXSXBNJXWEEZ-WBVHZDCISA-N 1 2 327.384 2.009 40 0 biogenic,in-vitro EEABLO CCC(=O)N1CCC[C@@H](Cc2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000585261124 468994984 /nfs/dbraw/zinc/99/49/84/468994984.db2.gz CWDBGDWNMBYBNR-AWEZNQCLSA-N 1 2 327.432 2.377 40 0 EEABLO O=C(CCCn1cc[nH+]c1)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585276666 469002391 /nfs/dbraw/zinc/00/23/91/469002391.db2.gz OQSWOAUWPNJQBO-AEFFLSMTSA-N 1 2 345.418 2.255 40 0 EEABLO Cn1ncc2c1nc(N[C@H]1CC[C@H](Nc3cccc[nH+]3)CC1)[nH]c2=O ZINC000670880139 539983729 /nfs/dbraw/zinc/98/37/29/539983729.db2.gz RXYPASITBZMLTM-HAQNSBGRSA-N 1 2 339.403 2.299 40 0 EEABLO NC(=O)C[N@@H+]1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000072355720 216164786 /nfs/dbraw/zinc/16/47/86/216164786.db2.gz SZNMOWZLADSXKL-INIZCTEOSA-N 1 2 330.819 2.343 40 0 EEABLO NC(=O)C[N@H+]1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000072355720 216164788 /nfs/dbraw/zinc/16/47/88/216164788.db2.gz SZNMOWZLADSXKL-INIZCTEOSA-N 1 2 330.819 2.343 40 0 EEABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)COC)CC2)n1 ZINC000072378458 216181241 /nfs/dbraw/zinc/18/12/41/216181241.db2.gz YMPAWFZTLSOOJA-UHFFFAOYSA-N 1 2 328.416 2.182 40 0 EEABLO Cc1ccccc1OC1CC[NH+](CC(=O)Nc2ccn(C)n2)CC1 ZINC000072392148 216191322 /nfs/dbraw/zinc/19/13/22/216191322.db2.gz KDHHFICOGCQAHY-UHFFFAOYSA-N 1 2 328.416 2.210 40 0 EEABLO CCc1noc(CCC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257219363 244177354 /nfs/dbraw/zinc/17/73/54/244177354.db2.gz DGNOFNLZVYLYIO-AWEZNQCLSA-N 1 2 343.431 2.087 40 0 EEABLO CNc1cc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc[nH+]1 ZINC000257236814 244233161 /nfs/dbraw/zinc/23/31/61/244233161.db2.gz HDWVCIXDOARBLB-CQSZACIVSA-N 1 2 332.429 2.087 40 0 EEABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)[nH+]1 ZINC000257266166 244362170 /nfs/dbraw/zinc/36/21/70/244362170.db2.gz MBVOQSKBQODMLZ-JTQLQIEISA-N 1 2 327.356 2.175 40 0 EEABLO NC(=O)c1cnn2c1nccc2[C@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000257269703 244374713 /nfs/dbraw/zinc/37/47/13/244374713.db2.gz MQZQTLKHHKGRTG-CYBMUJFWSA-N 1 2 342.428 2.012 40 0 EEABLO NC(=O)c1cnn2c1nccc2[C@H]1CCCC[N@H+]1Cc1cncs1 ZINC000257269703 244374718 /nfs/dbraw/zinc/37/47/18/244374718.db2.gz MQZQTLKHHKGRTG-CYBMUJFWSA-N 1 2 342.428 2.012 40 0 EEABLO Cn1ccc(-c2cc(C(=O)NCCn3cc[nH+]c3)c3ccccc3n2)n1 ZINC000019291116 212011788 /nfs/dbraw/zinc/01/17/88/212011788.db2.gz XYDNHMFYCKXNOH-UHFFFAOYSA-N 1 2 346.394 2.262 40 0 EEABLO CCCCc1nc(Cl)c(C[N@@H+]2CCc3c(nc(C)[nH]c3=O)C2)[nH]1 ZINC000012116266 211295453 /nfs/dbraw/zinc/29/54/53/211295453.db2.gz XXWGFNFXQBHNLZ-UHFFFAOYSA-N 1 2 335.839 2.356 40 0 EEABLO CCCCc1nc(Cl)c(C[N@H+]2CCc3c(nc(C)[nH]c3=O)C2)[nH]1 ZINC000012116266 211295455 /nfs/dbraw/zinc/29/54/55/211295455.db2.gz XXWGFNFXQBHNLZ-UHFFFAOYSA-N 1 2 335.839 2.356 40 0 EEABLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC1(CO)CCCC1)c1ccccc1 ZINC000095416245 218354825 /nfs/dbraw/zinc/35/48/25/218354825.db2.gz STINXGRLSHJHJA-MRXNPFEDSA-N 1 2 342.443 2.308 40 0 EEABLO C[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccccc1Br ZINC000097230238 219000214 /nfs/dbraw/zinc/00/02/14/219000214.db2.gz FXQNVIYPPOEHOO-LLVKDONJSA-N 1 2 338.205 2.229 40 0 EEABLO COc1ccccc1N1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000055556912 132196094 /nfs/dbraw/zinc/19/60/94/132196094.db2.gz RQXKXYMNQCEZCJ-GVDBMIGSSA-N 1 2 343.471 2.122 40 0 EEABLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097234551 323321614 /nfs/dbraw/zinc/32/16/14/323321614.db2.gz ZFMJBEZEUDXJIM-MRXNPFEDSA-N 1 2 342.447 2.422 40 0 EEABLO CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000060372053 462543995 /nfs/dbraw/zinc/54/39/95/462543995.db2.gz FUPPEIZEEYVMPC-UHFFFAOYSA-N 1 2 336.436 2.139 40 0 EEABLO COC[C@H]1CN(C(=O)c2cccc(C)n2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060285 463159503 /nfs/dbraw/zinc/15/95/03/463159503.db2.gz RFDXXFVAMGCZFA-OAHLLOKOSA-N 1 2 340.427 2.383 40 0 EEABLO O=C1CCCN1C[C@@H]1Cn2ccnc2C[N@H+](Cc2cccs2)C1 ZINC000096188411 463199754 /nfs/dbraw/zinc/19/97/54/463199754.db2.gz QNJIAJBBFQIEOU-AWEZNQCLSA-N 1 2 330.457 2.199 40 0 EEABLO O=C1CCCN1C[C@@H]1Cn2ccnc2C[N@@H+](Cc2cccs2)C1 ZINC000096188411 463199756 /nfs/dbraw/zinc/19/97/56/463199756.db2.gz QNJIAJBBFQIEOU-AWEZNQCLSA-N 1 2 330.457 2.199 40 0 EEABLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000096439279 463266135 /nfs/dbraw/zinc/26/61/35/463266135.db2.gz FYDJAWOQLSMZHF-CQSZACIVSA-N 1 2 330.436 2.149 40 0 EEABLO CN(C)S(=O)(=O)c1cccc(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000096443380 463268137 /nfs/dbraw/zinc/26/81/37/463268137.db2.gz TZYLHXVOOZQEPU-UHFFFAOYSA-N 1 2 339.486 2.418 40 0 EEABLO CC[C@@H]1COCC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443359 463268338 /nfs/dbraw/zinc/26/83/38/463268338.db2.gz DSDMMXDWACLYIX-CYBMUJFWSA-N 1 2 333.457 2.066 40 0 EEABLO CC[C@@H]1COCC[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000096443359 463268342 /nfs/dbraw/zinc/26/83/42/463268342.db2.gz DSDMMXDWACLYIX-CYBMUJFWSA-N 1 2 333.457 2.066 40 0 EEABLO CCCCc1nnc(NC(=O)C[NH+]2CCC(n3cccn3)CC2)s1 ZINC000096479805 463281681 /nfs/dbraw/zinc/28/16/81/463281681.db2.gz IJZKNZMMTBIAAQ-UHFFFAOYSA-N 1 2 348.476 2.353 40 0 EEABLO Cc1cc(F)ccc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000096492582 463287728 /nfs/dbraw/zinc/28/77/28/463287728.db2.gz YEEOLZUJLNPIDL-UHFFFAOYSA-N 1 2 325.409 2.465 40 0 EEABLO COc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000030848443 463312224 /nfs/dbraw/zinc/31/22/24/463312224.db2.gz ZFMYOQQFRNDDIC-UHFFFAOYSA-N 1 2 340.423 2.457 40 0 EEABLO O=C(NCCN(Cc1c[nH+]c[nH]1)Cc1ccccn1)c1cccs1 ZINC000057797338 463519829 /nfs/dbraw/zinc/51/98/29/463519829.db2.gz HSVUBPYGOSEVOW-UHFFFAOYSA-N 1 2 341.440 2.298 40 0 EEABLO O=C(NCCN(Cc1c[nH]c[nH+]1)Cc1ccccn1)c1cccs1 ZINC000057797338 463519833 /nfs/dbraw/zinc/51/98/33/463519833.db2.gz HSVUBPYGOSEVOW-UHFFFAOYSA-N 1 2 341.440 2.298 40 0 EEABLO C[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@@H](C)O1 ZINC000083669022 463553937 /nfs/dbraw/zinc/55/39/37/463553937.db2.gz PSWJOYMCCDLMRG-HZPDHXFCSA-N 1 2 342.443 2.445 40 0 EEABLO Cc1ccsc1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257295436 463767397 /nfs/dbraw/zinc/76/73/97/463767397.db2.gz QYGQGAMIWWJKGN-QGZVFWFLSA-N 1 2 331.441 2.213 40 0 EEABLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nc(C2CC2)no1 ZINC000195576432 464079685 /nfs/dbraw/zinc/07/96/85/464079685.db2.gz FDNBXGPPQCDNFH-JTQLQIEISA-N 1 2 325.328 2.446 40 0 EEABLO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225602004 464174791 /nfs/dbraw/zinc/17/47/91/464174791.db2.gz UCVMVECPMQDWJD-SFHVURJKSA-N 1 2 336.432 2.151 40 0 EEABLO CC1(C)[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@@H]2CCO[C@H]21 ZINC000230153366 464203773 /nfs/dbraw/zinc/20/37/73/464203773.db2.gz JOHQNPYPGGMGAZ-MVWJERBFSA-N 1 2 346.353 2.058 40 0 EEABLO Cc1noc(C)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000244986172 464466315 /nfs/dbraw/zinc/46/63/15/464466315.db2.gz JIYXIQJZBHIYMD-ZDUSSCGKSA-N 1 2 335.429 2.404 40 0 EEABLO c1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CCO3)nc1 ZINC000247980012 464718935 /nfs/dbraw/zinc/71/89/35/464718935.db2.gz XHCSPIAECGQUJX-GOSISDBHSA-N 1 2 325.412 2.427 40 0 EEABLO CCn1cc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CS3)cn1 ZINC000249697111 464904363 /nfs/dbraw/zinc/90/43/63/464904363.db2.gz UHQKGZLAYSXYTR-INIZCTEOSA-N 1 2 330.457 2.437 40 0 EEABLO Brc1cnn(C2CC[NH+](Cc3csnn3)CC2)c1 ZINC000253393902 464998614 /nfs/dbraw/zinc/99/86/14/464998614.db2.gz CMRBDODFXSXUIX-UHFFFAOYSA-N 1 2 328.239 2.334 40 0 EEABLO CN(C)c1[nH+]cccc1CNC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000253419809 465007684 /nfs/dbraw/zinc/00/76/84/465007684.db2.gz JAQLUWHKMDGQLF-MRXNPFEDSA-N 1 2 342.447 2.318 40 0 EEABLO CC(C)(C)c1nnc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000253431911 465014627 /nfs/dbraw/zinc/01/46/27/465014627.db2.gz VINGDECFYAKSQG-GFCCVEGCSA-N 1 2 348.476 2.406 40 0 EEABLO COc1ccc(NC(=O)CN2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000330032295 465512084 /nfs/dbraw/zinc/51/20/84/465512084.db2.gz LQRHLENOTBADCH-UHFFFAOYSA-N 1 2 340.427 2.159 40 0 EEABLO c1csc(C[N@H+]2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000575244289 468138746 /nfs/dbraw/zinc/13/87/46/468138746.db2.gz VIBPNHTVURABPG-VYDXJSESSA-N 1 2 331.441 2.487 40 0 EEABLO c1csc(C[N@@H+]2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000575244289 468138750 /nfs/dbraw/zinc/13/87/50/468138750.db2.gz VIBPNHTVURABPG-VYDXJSESSA-N 1 2 331.441 2.487 40 0 EEABLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@@H](n2ccnn2)CC1 ZINC000822289335 798650735 /nfs/dbraw/zinc/65/07/35/798650735.db2.gz PBEJPAFBJPGBFU-CYBMUJFWSA-N 1 2 340.435 2.404 40 0 EEABLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191677540 529787223 /nfs/dbraw/zinc/78/72/23/529787223.db2.gz PGBUYFCAILKPLX-ZDUSSCGKSA-N 1 2 346.349 2.267 40 0 EEABLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191677540 529787224 /nfs/dbraw/zinc/78/72/24/529787224.db2.gz PGBUYFCAILKPLX-ZDUSSCGKSA-N 1 2 346.349 2.267 40 0 EEABLO Cc1cc(O[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc(C)c1Cl ZINC000408705985 238297755 /nfs/dbraw/zinc/29/77/55/238297755.db2.gz SCAXHGQKWUSYCV-AWEZNQCLSA-N 1 2 340.851 2.173 40 0 EEABLO Cc1ncc(/C=C/C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)s1 ZINC000073118989 216352512 /nfs/dbraw/zinc/35/25/12/216352512.db2.gz YDGKDPUJOIEUSL-UFFNRZRYSA-N 1 2 336.486 2.100 40 0 EEABLO CNc1nccnc1[C@@H]1C[N@H+](CCCOc2ccccc2F)CCO1 ZINC000257200792 244118333 /nfs/dbraw/zinc/11/83/33/244118333.db2.gz AEXNZUSQBKGEDO-INIZCTEOSA-N 1 2 346.406 2.500 40 0 EEABLO CNc1nccnc1[C@@H]1C[N@@H+](CCCOc2ccccc2F)CCO1 ZINC000257200792 244118338 /nfs/dbraw/zinc/11/83/38/244118338.db2.gz AEXNZUSQBKGEDO-INIZCTEOSA-N 1 2 346.406 2.500 40 0 EEABLO C[C@@]1(c2ncc(CNC(=O)CCCn3cc[nH+]c3)cn2)CCCCO1 ZINC000257202569 244124315 /nfs/dbraw/zinc/12/43/15/244124315.db2.gz AMKJJWBWWDIGHL-SFHVURJKSA-N 1 2 343.431 2.185 40 0 EEABLO Cn1nccc1CCC(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257270559 244375971 /nfs/dbraw/zinc/37/59/71/244375971.db2.gz MUSHIFDJHVPGIC-KRWDZBQOSA-N 1 2 335.411 2.333 40 0 EEABLO CC(=O)N1CCc2nnc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2CC1 ZINC000019710742 212056888 /nfs/dbraw/zinc/05/68/88/212056888.db2.gz RZNVJJVUWULSCL-KRWDZBQOSA-N 1 2 339.443 2.020 40 0 EEABLO CC(=O)N1CCc2nnc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2CC1 ZINC000019710742 212056892 /nfs/dbraw/zinc/05/68/92/212056892.db2.gz RZNVJJVUWULSCL-KRWDZBQOSA-N 1 2 339.443 2.020 40 0 EEABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000019583878 212046779 /nfs/dbraw/zinc/04/67/79/212046779.db2.gz PYZKLMDINUAJHM-MRXNPFEDSA-N 1 2 339.399 2.352 40 0 EEABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000019583878 212046781 /nfs/dbraw/zinc/04/67/81/212046781.db2.gz PYZKLMDINUAJHM-MRXNPFEDSA-N 1 2 339.399 2.352 40 0 EEABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000012116424 211295989 /nfs/dbraw/zinc/29/59/89/211295989.db2.gz KWCMBHIYJWBXLR-CABCVRRESA-N 1 2 342.443 2.085 40 0 EEABLO C[C@H](C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000092008025 218102656 /nfs/dbraw/zinc/10/26/56/218102656.db2.gz IYIJQBFBVDUAHL-GYSYKLTISA-N 1 2 341.249 2.127 40 0 EEABLO C[C@H](C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000092008025 218102659 /nfs/dbraw/zinc/10/26/59/218102659.db2.gz IYIJQBFBVDUAHL-GYSYKLTISA-N 1 2 341.249 2.127 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](Oc3nccc(C)n3)C2)o1 ZINC000306133844 257921897 /nfs/dbraw/zinc/92/18/97/257921897.db2.gz MXRRHQFFDABNMC-QGZVFWFLSA-N 1 2 339.399 2.346 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](Oc3nccc(C)n3)C2)o1 ZINC000306133844 257921899 /nfs/dbraw/zinc/92/18/99/257921899.db2.gz MXRRHQFFDABNMC-QGZVFWFLSA-N 1 2 339.399 2.346 40 0 EEABLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)[C@H](C)C2 ZINC000241231193 292360878 /nfs/dbraw/zinc/36/08/78/292360878.db2.gz KSXWBVBPJOKJTP-GRGSLBFTSA-N 1 2 343.471 2.343 40 0 EEABLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)[C@H](C)C2 ZINC000241231193 292360880 /nfs/dbraw/zinc/36/08/80/292360880.db2.gz KSXWBVBPJOKJTP-GRGSLBFTSA-N 1 2 343.471 2.343 40 0 EEABLO Cc1nc(N2CCN(c3cc[nH+]c(C)n3)CC2)cc(C(F)(F)F)n1 ZINC000546757651 318266614 /nfs/dbraw/zinc/26/66/14/318266614.db2.gz FCRVYLKXTXCWOB-UHFFFAOYSA-N 1 2 338.337 2.229 40 0 EEABLO Cc1cc(N2CCOCC2)nc2[n+]1C(=O)C(c1ccccc1)S2 ZINC000003076974 462610317 /nfs/dbraw/zinc/61/03/17/462610317.db2.gz XTSGWQRSBJMDSI-UHFFFAOYSA-O 1 2 328.417 2.399 40 0 EEABLO COc1ccc(NCc2n[nH]c([C@@H]([NH3+])c3cccc(OC)c3)n2)cc1 ZINC000095533545 463107110 /nfs/dbraw/zinc/10/71/10/463107110.db2.gz IITDDIGKFXKCNU-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc(NCc2nnc([C@@H]([NH3+])c3cccc(OC)c3)[nH]2)cc1 ZINC000095533545 463107115 /nfs/dbraw/zinc/10/71/15/463107115.db2.gz IITDDIGKFXKCNU-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc(NCc2nc([C@@H]([NH3+])c3cccc(OC)c3)n[nH]2)cc1 ZINC000095533545 463107122 /nfs/dbraw/zinc/10/71/22/463107122.db2.gz IITDDIGKFXKCNU-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO Cc1ccoc1C(=O)N1CCCn2c(C[NH+]3CCCCC3)nnc2C1 ZINC000096084787 463170726 /nfs/dbraw/zinc/17/07/26/463170726.db2.gz JYYINDJNRABRLA-UHFFFAOYSA-N 1 2 343.431 2.212 40 0 EEABLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)cn1 ZINC000096111922 463179554 /nfs/dbraw/zinc/17/95/54/463179554.db2.gz QWGDOYDVDGYGJM-HOCLYGCPSA-N 1 2 339.395 2.089 40 0 biogenic,in-vitro EEABLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)cn1 ZINC000096111922 463179560 /nfs/dbraw/zinc/17/95/60/463179560.db2.gz QWGDOYDVDGYGJM-HOCLYGCPSA-N 1 2 339.395 2.089 40 0 biogenic,in-vitro EEABLO Cc1occc1C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096158994 463190985 /nfs/dbraw/zinc/19/09/85/463190985.db2.gz HVVDFCSPALAOLF-UHFFFAOYSA-N 1 2 341.411 2.495 40 0 EEABLO O=C(c1ccncc1F)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187914 463199133 /nfs/dbraw/zinc/19/91/33/463199133.db2.gz GVFRTRDDQXHXPL-AWEZNQCLSA-N 1 2 344.390 2.116 40 0 EEABLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC1CC1)C1CCCCC1 ZINC000096404602 463239692 /nfs/dbraw/zinc/23/96/92/463239692.db2.gz YKJAYJNKTNJGQJ-MRXNPFEDSA-N 1 2 336.524 2.377 40 0 EEABLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2nncs2)s1 ZINC000096424507 463255205 /nfs/dbraw/zinc/25/52/05/463255205.db2.gz KQXTXCRRDWCGHB-VIFPVBQESA-N 1 2 325.463 2.497 40 0 EEABLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2nncs2)s1 ZINC000096424507 463255206 /nfs/dbraw/zinc/25/52/06/463255206.db2.gz KQXTXCRRDWCGHB-VIFPVBQESA-N 1 2 325.463 2.497 40 0 EEABLO C[C@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2C)C[C@@H]1n1ccnc1 ZINC000096489093 463285096 /nfs/dbraw/zinc/28/50/96/463285096.db2.gz DBTOSCYNIITNAU-YOEHRIQHSA-N 1 2 337.427 2.213 40 0 EEABLO C[C@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2C)C[C@@H]1n1ccnc1 ZINC000096489093 463285099 /nfs/dbraw/zinc/28/50/99/463285099.db2.gz DBTOSCYNIITNAU-YOEHRIQHSA-N 1 2 337.427 2.213 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)Cc3cccnc3)CC[N@@H+]2C)cc1 ZINC000257278983 463758012 /nfs/dbraw/zinc/75/80/12/463758012.db2.gz OEMZFELOJTZNCT-SFHVURJKSA-N 1 2 325.412 2.148 40 0 EEABLO COc1ccc([C@@H]2CN(C(=O)Cc3cccnc3)CC[N@H+]2C)cc1 ZINC000257278983 463758017 /nfs/dbraw/zinc/75/80/17/463758017.db2.gz OEMZFELOJTZNCT-SFHVURJKSA-N 1 2 325.412 2.148 40 0 EEABLO O=C(CCc1cc(Cl)no1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257295030 463765601 /nfs/dbraw/zinc/76/56/01/463765601.db2.gz QWQOMOSYRXPPHQ-LBPRGKRZSA-N 1 2 334.807 2.441 40 0 EEABLO C[C@@H]1C[N@H+](CCSc2nnc(-c3ccc(F)cc3)n2C)CCO1 ZINC000188231655 464231592 /nfs/dbraw/zinc/23/15/92/464231592.db2.gz UYNSOJGTBFUURG-GFCCVEGCSA-N 1 2 336.436 2.434 40 0 EEABLO C[C@@H]1C[N@@H+](CCSc2nnc(-c3ccc(F)cc3)n2C)CCO1 ZINC000188231655 464231596 /nfs/dbraw/zinc/23/15/96/464231596.db2.gz UYNSOJGTBFUURG-GFCCVEGCSA-N 1 2 336.436 2.434 40 0 EEABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CCN1CCCC1=O ZINC000248149411 464734029 /nfs/dbraw/zinc/73/40/29/464734029.db2.gz VATJGFRHQXPIBV-KRWDZBQOSA-N 1 2 344.455 2.299 40 0 EEABLO C[C@H](c1nnnn1C1CC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000192076323 464861319 /nfs/dbraw/zinc/86/13/19/464861319.db2.gz RHRMXCLSBZOIAO-CYBMUJFWSA-N 1 2 330.411 2.026 40 0 EEABLO CC[C@H](C(=O)N1CCCC[C@H]1c1ncc[nH]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000252493725 464968265 /nfs/dbraw/zinc/96/82/65/464968265.db2.gz NFLMZBXGTURPAT-OAGGEKHMSA-N 1 2 334.464 2.353 40 0 EEABLO CC[C@H](C(=O)N1CCCC[C@H]1c1ncc[nH]1)[N@H+]1CCO[C@H](CC)C1 ZINC000252493725 464968270 /nfs/dbraw/zinc/96/82/70/464968270.db2.gz NFLMZBXGTURPAT-OAGGEKHMSA-N 1 2 334.464 2.353 40 0 EEABLO Cc1ccnc(OC[C@H]2CN(Cc3nccs3)Cc3c[nH+]cn32)n1 ZINC000306125066 466486742 /nfs/dbraw/zinc/48/67/42/466486742.db2.gz CGBDNPAOJSALBI-CQSZACIVSA-N 1 2 342.428 2.074 40 0 EEABLO O=C1N(c2cccnc2)CC[C@]12C[N@@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093065 468962449 /nfs/dbraw/zinc/96/24/49/468962449.db2.gz RNTPCDKBAPMWRN-INIZCTEOSA-N 1 2 347.369 2.069 40 0 EEABLO O=C1N(c2cccnc2)CC[C@]12C[N@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093065 468962453 /nfs/dbraw/zinc/96/24/53/468962453.db2.gz RNTPCDKBAPMWRN-INIZCTEOSA-N 1 2 347.369 2.069 40 0 EEABLO COCCc1c[nH+]c2n1CCN(C(=O)COc1ccc(C)cc1)[C@H]2C ZINC000585097341 468965719 /nfs/dbraw/zinc/96/57/19/468965719.db2.gz JCCJCHMMHHGCNQ-HNNXBMFYSA-N 1 2 343.427 2.363 40 0 EEABLO Cc1ncoc1C(=O)N1CCn2c(CCOCC3CC3)c[nH+]c2[C@@H]1C ZINC000585097072 468965746 /nfs/dbraw/zinc/96/57/46/468965746.db2.gz FIWRNIUYNNQEQW-ZDUSSCGKSA-N 1 2 344.415 2.366 40 0 EEABLO CO[C@]1(COc2ccc(C)cc2)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585275744 469000570 /nfs/dbraw/zinc/00/05/70/469000570.db2.gz DUYXUCUZRMZLNB-LJQANCHMSA-N 1 2 343.427 2.347 40 0 EEABLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290948 469011015 /nfs/dbraw/zinc/01/10/15/469011015.db2.gz JHFBJYCEYQYJHP-LDZGNZEFSA-N 1 2 341.411 2.290 40 0 EEABLO CC(C)c1nnc(CCC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)o1 ZINC000131153913 528417400 /nfs/dbraw/zinc/41/74/00/528417400.db2.gz JFFUKYZVIZGINN-AWEZNQCLSA-N 1 2 343.431 2.306 40 0 EEABLO O=C1CO[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2N1Cc1ccccc1 ZINC000067897080 215245866 /nfs/dbraw/zinc/24/58/66/215245866.db2.gz UZWCUEQWVAEBAD-MOPGFXCFSA-N 1 2 340.398 2.438 40 0 biogenic,in-vitro EEABLO O=C1CO[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]2N1Cc1ccccc1 ZINC000067897080 215245869 /nfs/dbraw/zinc/24/58/69/215245869.db2.gz UZWCUEQWVAEBAD-MOPGFXCFSA-N 1 2 340.398 2.438 40 0 biogenic,in-vitro EEABLO COc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ncn1 ZINC000184025363 235288179 /nfs/dbraw/zinc/28/81/79/235288179.db2.gz VTUUDBQKVPFRCV-LBPRGKRZSA-N 1 2 347.444 2.457 40 0 EEABLO Cc1ccc(Oc2nccnc2C2CC[NH+](CC(N)=O)CC2)cc1 ZINC000072361849 216168801 /nfs/dbraw/zinc/16/88/01/216168801.db2.gz QOLLHHXMHNUUSD-UHFFFAOYSA-N 1 2 326.400 2.242 40 0 EEABLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccn(C(F)F)n1 ZINC000020528436 212143366 /nfs/dbraw/zinc/14/33/66/212143366.db2.gz WYKAKLLVOXZMRD-UHFFFAOYSA-N 1 2 336.342 2.363 40 0 EEABLO CCOC[C@H]1CCS(=O)(=O)C12C[NH+](Cc1sccc1C)C2 ZINC000253599617 244030564 /nfs/dbraw/zinc/03/05/64/244030564.db2.gz RSLWODHJJPOLQY-CYBMUJFWSA-N 1 2 329.487 2.082 40 0 EEABLO CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257231807 244216147 /nfs/dbraw/zinc/21/61/47/244216147.db2.gz GIHBRESHGFVRBI-INIZCTEOSA-N 1 2 327.432 2.186 40 0 EEABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cccc(-n2cnnc2)c1 ZINC000257245812 244255283 /nfs/dbraw/zinc/25/52/83/244255283.db2.gz IREIRFDUZKVWJS-MRXNPFEDSA-N 1 2 348.410 2.061 40 0 EEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)[nH+]1 ZINC000257240770 244240685 /nfs/dbraw/zinc/24/06/85/244240685.db2.gz HVDIGHWGOQIYJL-AWEZNQCLSA-N 1 2 336.399 2.143 40 0 EEABLO CCOC[C@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000079306001 217205375 /nfs/dbraw/zinc/20/53/75/217205375.db2.gz QWCNHSDCTICTJC-HNNXBMFYSA-N 1 2 334.464 2.220 40 0 EEABLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CCN1C(=O)OC(C)(C)C ZINC000079439490 217224704 /nfs/dbraw/zinc/22/47/04/217224704.db2.gz LELXUWRMTZGDNT-GFCCVEGCSA-N 1 2 333.436 2.497 40 0 EEABLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)CCN1C(=O)OC(C)(C)C ZINC000079439490 217224708 /nfs/dbraw/zinc/22/47/08/217224708.db2.gz LELXUWRMTZGDNT-GFCCVEGCSA-N 1 2 333.436 2.497 40 0 EEABLO Cn1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1=O ZINC000080312353 217296073 /nfs/dbraw/zinc/29/60/73/217296073.db2.gz UIPNVLBFTFUZDC-PKOBYXMFSA-N 1 2 348.406 2.240 40 0 EEABLO Cc1cnc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000095449223 218392938 /nfs/dbraw/zinc/39/29/38/218392938.db2.gz AJKAQYIBVNBQHI-GDBMZVCRSA-N 1 2 332.354 2.238 40 0 EEABLO Cc1cnc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000095449223 218392939 /nfs/dbraw/zinc/39/29/39/218392939.db2.gz AJKAQYIBVNBQHI-GDBMZVCRSA-N 1 2 332.354 2.238 40 0 EEABLO COc1cc(OC)cc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000130815622 533068247 /nfs/dbraw/zinc/06/82/47/533068247.db2.gz DWGCBSKWJVMBTE-OAHLLOKOSA-N 1 2 341.411 2.498 40 0 EEABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@@H+]2Cc2ccccn2)cc1 ZINC000257234048 286363561 /nfs/dbraw/zinc/36/35/61/286363561.db2.gz GRWOPQBPJKHYLE-IBGZPJMESA-N 1 2 325.412 2.496 40 0 EEABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@H+]2Cc2ccccn2)cc1 ZINC000257234048 286363562 /nfs/dbraw/zinc/36/35/62/286363562.db2.gz GRWOPQBPJKHYLE-IBGZPJMESA-N 1 2 325.412 2.496 40 0 EEABLO CCn1cc[nH+]c1CN1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000186547510 160075399 /nfs/dbraw/zinc/07/53/99/160075399.db2.gz BZIVROGYYUPICE-UHFFFAOYSA-N 1 2 328.464 2.447 40 0 EEABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ccnc(C)n2)c1 ZINC000257200795 278022595 /nfs/dbraw/zinc/02/25/95/278022595.db2.gz AEYNZULRKATSAS-QGZVFWFLSA-N 1 2 349.394 2.387 40 0 EEABLO C[C@@H]1c2nc(C(=O)NC3CCCC3)cn2CC[N@@H+]1C1CCOCC1 ZINC000253591317 289099378 /nfs/dbraw/zinc/09/93/78/289099378.db2.gz MCJZHQGTGLDVHE-CYBMUJFWSA-N 1 2 332.448 2.111 40 0 EEABLO C[C@@H]1c2nc(C(=O)NC3CCCC3)cn2CC[N@H+]1C1CCOCC1 ZINC000253591317 289099382 /nfs/dbraw/zinc/09/93/82/289099382.db2.gz MCJZHQGTGLDVHE-CYBMUJFWSA-N 1 2 332.448 2.111 40 0 EEABLO O=C1N(C2CCOCC2)C[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CCN12 ZINC000085436212 462547513 /nfs/dbraw/zinc/54/75/13/462547513.db2.gz QBEVYPRPBZSZRU-QGZVFWFLSA-N 1 2 349.862 2.441 40 0 biogenic,in-vitro EEABLO O=C1N(C2CCOCC2)C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CCN12 ZINC000085436212 462547517 /nfs/dbraw/zinc/54/75/17/462547517.db2.gz QBEVYPRPBZSZRU-QGZVFWFLSA-N 1 2 349.862 2.441 40 0 biogenic,in-vitro EEABLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+](C)Cc2ccco2)C1=O ZINC000074980743 462662366 /nfs/dbraw/zinc/66/23/66/462662366.db2.gz JSKVCBBMYVEPSY-CYBMUJFWSA-N 1 2 334.397 2.365 40 0 EEABLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+](C)Cc2ccco2)C1=O ZINC000074980743 462662370 /nfs/dbraw/zinc/66/23/70/462662370.db2.gz JSKVCBBMYVEPSY-CYBMUJFWSA-N 1 2 334.397 2.365 40 0 EEABLO COc1ccc(OCc2n[nH]c([C@H]([NH3+])c3ccc(OC)cc3)n2)cc1 ZINC000095533691 463106759 /nfs/dbraw/zinc/10/67/59/463106759.db2.gz QPWKSYZGAIJUSA-QGZVFWFLSA-N 1 2 340.383 2.449 40 0 EEABLO c1cncc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC000096041644 463146050 /nfs/dbraw/zinc/14/60/50/463146050.db2.gz IDYCULZDVFXWRB-IPMKNSEASA-N 1 2 332.444 2.257 40 0 EEABLO c1cncc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC000096041644 463146056 /nfs/dbraw/zinc/14/60/56/463146056.db2.gz IDYCULZDVFXWRB-IPMKNSEASA-N 1 2 332.444 2.257 40 0 EEABLO COc1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCC3CC3)C2)cc1 ZINC000096060714 463159955 /nfs/dbraw/zinc/15/99/55/463159955.db2.gz DRKWDWKEEDTEPN-MRXNPFEDSA-N 1 2 342.443 2.350 40 0 EEABLO COc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCC3CC3)C2)cc1 ZINC000096060714 463159960 /nfs/dbraw/zinc/15/99/60/463159960.db2.gz DRKWDWKEEDTEPN-MRXNPFEDSA-N 1 2 342.443 2.350 40 0 EEABLO CCn1cc2c(n1)C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@@H]2COC ZINC000096068685 463166309 /nfs/dbraw/zinc/16/63/09/463166309.db2.gz IIPUGAUWWAJUNE-CQSZACIVSA-N 1 2 329.400 2.378 40 0 EEABLO CCn1cc2c(n1)C[N@H+](Cc1ccc3c(c1)OCO3)C[C@@H]2COC ZINC000096068685 463166311 /nfs/dbraw/zinc/16/63/11/463166311.db2.gz IIPUGAUWWAJUNE-CQSZACIVSA-N 1 2 329.400 2.378 40 0 EEABLO Cn1cc[nH+]c1CN1C[C@@H](F)[C@@H](OCc2nc3ccccc3n2C)C1 ZINC000096112202 463179969 /nfs/dbraw/zinc/17/99/69/463179969.db2.gz APLQYTMXDPBPMH-CJNGLKHVSA-N 1 2 343.406 2.046 40 0 biogenic,in-vitro EEABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096188010 463199891 /nfs/dbraw/zinc/19/98/91/463199891.db2.gz SUZGUWSZGGFGQH-HNNXBMFYSA-N 1 2 326.400 2.116 40 0 EEABLO Cc1noc(C)c1C[N@@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC000096258984 463230559 /nfs/dbraw/zinc/23/05/59/463230559.db2.gz WPZJWHMUPRFOSP-UHFFFAOYSA-N 1 2 331.420 2.215 40 0 EEABLO Cc1noc(C)c1C[N@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC000096258984 463230565 /nfs/dbraw/zinc/23/05/65/463230565.db2.gz WPZJWHMUPRFOSP-UHFFFAOYSA-N 1 2 331.420 2.215 40 0 EEABLO O=C(C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)NC[C@@H]1CCCO1 ZINC000096415727 463247910 /nfs/dbraw/zinc/24/79/10/463247910.db2.gz BXQDEDKVOOXXME-WBVHZDCISA-N 1 2 348.418 2.016 40 0 EEABLO O=C(C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)NC[C@@H]1CCCO1 ZINC000096415727 463247915 /nfs/dbraw/zinc/24/79/15/463247915.db2.gz BXQDEDKVOOXXME-WBVHZDCISA-N 1 2 348.418 2.016 40 0 EEABLO C[C@@H](NC(=O)COC[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432095 463261053 /nfs/dbraw/zinc/26/10/53/463261053.db2.gz YONALOFQUAJLIP-PBHICJAKSA-N 1 2 329.400 2.245 40 0 EEABLO CC(C)[C@H](CNC(=O)c1c(O)cccc1Cl)[NH+]1CCN(C)CC1 ZINC000096441050 463267177 /nfs/dbraw/zinc/26/71/77/463267177.db2.gz PANHTBXTJUHNJO-AWEZNQCLSA-N 1 2 339.867 2.047 40 0 EEABLO CC(C)[C@H](CNC(=O)c1c(O)cccc1Cl)N1CC[NH+](C)CC1 ZINC000096441050 463267181 /nfs/dbraw/zinc/26/71/81/463267181.db2.gz PANHTBXTJUHNJO-AWEZNQCLSA-N 1 2 339.867 2.047 40 0 EEABLO C[C@@H](c1ccsc1)N1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000096503107 463292575 /nfs/dbraw/zinc/29/25/75/463292575.db2.gz KDAKVUXMYPJRCJ-HNNXBMFYSA-N 1 2 347.488 2.423 40 0 EEABLO Cc1nc2c(ncnc2N2CC[NH+](Cc3cccc(F)c3)CC2)[nH]1 ZINC000041121235 463468233 /nfs/dbraw/zinc/46/82/33/463468233.db2.gz UIXIOXUCYDIUDL-UHFFFAOYSA-N 1 2 326.379 2.123 40 0 EEABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257341295 463785917 /nfs/dbraw/zinc/78/59/17/463785917.db2.gz ZJTIGTJWOYCEKG-GOSISDBHSA-N 1 2 338.415 2.087 40 0 EEABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257341295 463785924 /nfs/dbraw/zinc/78/59/24/463785924.db2.gz ZJTIGTJWOYCEKG-GOSISDBHSA-N 1 2 338.415 2.087 40 0 EEABLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000195530570 464072157 /nfs/dbraw/zinc/07/21/57/464072157.db2.gz IRZRPJOASCILGV-LBPRGKRZSA-N 1 2 344.431 2.369 40 0 EEABLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000195530570 464072159 /nfs/dbraw/zinc/07/21/59/464072159.db2.gz IRZRPJOASCILGV-LBPRGKRZSA-N 1 2 344.431 2.369 40 0 EEABLO CCO[C@H](C)c1nc(CN(C)c2nc3c(cnn3C)c(N)[nH+]2)cs1 ZINC000225512790 464168113 /nfs/dbraw/zinc/16/81/13/464168113.db2.gz LFWYOGDFNAQNSI-SECBINFHSA-N 1 2 347.448 2.136 40 0 EEABLO Cc1noc(C)c1C(=O)N1Cc2c[nH+]cn2CC[C@H]1COCC1CC1 ZINC000585096968 468964427 /nfs/dbraw/zinc/96/44/27/468964427.db2.gz GDNQPMQCBOCXPR-HNNXBMFYSA-N 1 2 344.415 2.329 40 0 EEABLO Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000004190461 210142088 /nfs/dbraw/zinc/14/20/88/210142088.db2.gz TWSYWSNEZGWCDO-SJORKVTESA-N 1 2 327.432 2.346 40 0 EEABLO COCC(=O)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2C(C)C)C1 ZINC000072350617 216163029 /nfs/dbraw/zinc/16/30/29/216163029.db2.gz ZZZBCXSPBAIOKJ-CQSZACIVSA-N 1 2 343.431 2.138 40 0 EEABLO Cc1ccc(Oc2nccnc2[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000072361851 216168641 /nfs/dbraw/zinc/16/86/41/216168641.db2.gz ADHSAIYSUYFZFQ-AWEZNQCLSA-N 1 2 326.400 2.242 40 0 EEABLO Cc1ccc(Oc2nccnc2[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000072361851 216168643 /nfs/dbraw/zinc/16/86/43/216168643.db2.gz ADHSAIYSUYFZFQ-AWEZNQCLSA-N 1 2 326.400 2.242 40 0 EEABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@H+](C)C1 ZINC000020464254 212135087 /nfs/dbraw/zinc/13/50/87/212135087.db2.gz GFHQEENQNXTTLY-GJZGRUSLSA-N 1 2 343.431 2.113 40 0 biogenic,in-vitro EEABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@@H+](C)C1 ZINC000020464254 212135089 /nfs/dbraw/zinc/13/50/89/212135089.db2.gz GFHQEENQNXTTLY-GJZGRUSLSA-N 1 2 343.431 2.113 40 0 biogenic,in-vitro EEABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2cncc(C)n2)CCO3)o1 ZINC000253601674 244035344 /nfs/dbraw/zinc/03/53/44/244035344.db2.gz VSPHGRJDNVVBHT-HNNXBMFYSA-N 1 2 329.400 2.499 40 0 EEABLO O=C(COc1cccc(F)c1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257199598 244114361 /nfs/dbraw/zinc/11/43/61/244114361.db2.gz AABGUUFSRQMVPO-OAHLLOKOSA-N 1 2 329.375 2.385 40 0 EEABLO Cc1ccsc1C(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257229728 244211214 /nfs/dbraw/zinc/21/12/14/244211214.db2.gz FZGLDYXCJIUMSF-QGZVFWFLSA-N 1 2 331.441 2.165 40 0 EEABLO Nc1nccnc1[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257247027 244259497 /nfs/dbraw/zinc/25/94/97/244259497.db2.gz IXBHCLHGOKLEQN-LBPRGKRZSA-N 1 2 342.428 2.084 40 0 EEABLO Nc1nccnc1[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257247027 244259501 /nfs/dbraw/zinc/25/95/01/244259501.db2.gz IXBHCLHGOKLEQN-LBPRGKRZSA-N 1 2 342.428 2.084 40 0 EEABLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000079320643 217208122 /nfs/dbraw/zinc/20/81/22/217208122.db2.gz NHTZKDQNAXNCKB-ZDUSSCGKSA-N 1 2 330.432 2.078 40 0 EEABLO COc1ccccc1N1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000055556916 132196266 /nfs/dbraw/zinc/19/62/66/132196266.db2.gz RQXKXYMNQCEZCJ-BBWFWOEESA-N 1 2 343.471 2.122 40 0 EEABLO COc1cccc(Cl)c1CC(=O)NC[C@H](C)[N@@H+]1CCOC[C@H]1C ZINC000153638740 462673175 /nfs/dbraw/zinc/67/31/75/462673175.db2.gz AXGJTUGFZIWZSG-QWHCGFSZSA-N 1 2 340.851 2.117 40 0 EEABLO COc1cccc(Cl)c1CC(=O)NC[C@H](C)[N@H+]1CCOC[C@H]1C ZINC000153638740 462673183 /nfs/dbraw/zinc/67/31/83/462673183.db2.gz AXGJTUGFZIWZSG-QWHCGFSZSA-N 1 2 340.851 2.117 40 0 EEABLO Cc1cccc(C(=O)N2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)n1 ZINC000096048578 463151548 /nfs/dbraw/zinc/15/15/48/463151548.db2.gz UCAFMCPZAWXRAN-YJBOKZPZSA-N 1 2 326.400 2.223 40 0 EEABLO O=[S@](CC[NH+]1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000096452014 463273352 /nfs/dbraw/zinc/27/33/52/463273352.db2.gz OMRQDQLZRWQWCJ-DEOSSOPVSA-N 1 2 344.480 2.318 40 0 EEABLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257325902 463778229 /nfs/dbraw/zinc/77/82/29/463778229.db2.gz WUYAREPFTRANCH-QGZVFWFLSA-N 1 2 329.448 2.071 40 0 EEABLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257325902 463778239 /nfs/dbraw/zinc/77/82/39/463778239.db2.gz WUYAREPFTRANCH-QGZVFWFLSA-N 1 2 329.448 2.071 40 0 EEABLO CCc1nnc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000192156901 464876390 /nfs/dbraw/zinc/87/63/90/464876390.db2.gz XRZNUUCRABDSJF-WBMJQRKESA-N 1 2 334.807 2.347 40 0 EEABLO Cc1nc(COC[C@@H]2CN(c3ncccn3)Cc3c[nH+]cn32)cs1 ZINC000306126052 466489399 /nfs/dbraw/zinc/48/93/99/466489399.db2.gz DKSSZOLETZPFLL-HNNXBMFYSA-N 1 2 342.428 2.216 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)o1 ZINC000306143368 466494022 /nfs/dbraw/zinc/49/40/22/466494022.db2.gz YAIMSROKSCNEPG-INIZCTEOSA-N 1 2 325.372 2.038 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)o1 ZINC000306143368 466494027 /nfs/dbraw/zinc/49/40/27/466494027.db2.gz YAIMSROKSCNEPG-INIZCTEOSA-N 1 2 325.372 2.038 40 0 EEABLO CC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306138220 466494097 /nfs/dbraw/zinc/49/40/97/466494097.db2.gz RSORUXARJPDXCG-QFBILLFUSA-N 1 2 344.459 2.038 40 0 EEABLO Cn1c[nH+]c2c1C[C@H](CNc1ncccn1)N(Cc1ccccc1)C2 ZINC000585094972 468964731 /nfs/dbraw/zinc/96/47/31/468964731.db2.gz XQKUZKBZGYDBTK-MRXNPFEDSA-N 1 2 334.427 2.249 40 0 EEABLO CCn1cc[nH+]c1CN1CCOC[C@@](COc2ccccc2)(OC)C1 ZINC000585276912 469001746 /nfs/dbraw/zinc/00/17/46/469001746.db2.gz SQRAERBPEOUMDJ-IBGZPJMESA-N 1 2 345.443 2.199 40 0 EEABLO CCn1ccnc1C[N@@H+]1CCOC[C@@](COc2ccccc2)(OC)C1 ZINC000585276912 469001753 /nfs/dbraw/zinc/00/17/53/469001753.db2.gz SQRAERBPEOUMDJ-IBGZPJMESA-N 1 2 345.443 2.199 40 0 EEABLO CCn1ccnc1C[N@H+]1CCOC[C@@](COc2ccccc2)(OC)C1 ZINC000585276912 469001759 /nfs/dbraw/zinc/00/17/59/469001759.db2.gz SQRAERBPEOUMDJ-IBGZPJMESA-N 1 2 345.443 2.199 40 0 EEABLO O=C(Nc1cccs1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609184 304010411 /nfs/dbraw/zinc/01/04/11/304010411.db2.gz OWNBAEIYLMVSFS-ZDUSSCGKSA-N 1 2 341.502 2.420 40 0 EEABLO NC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072361811 216168918 /nfs/dbraw/zinc/16/89/18/216168918.db2.gz YZCHVLAYKFNDDC-LBPRGKRZSA-N 1 2 330.363 2.073 40 0 EEABLO NC(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072361811 216168922 /nfs/dbraw/zinc/16/89/22/216168922.db2.gz YZCHVLAYKFNDDC-LBPRGKRZSA-N 1 2 330.363 2.073 40 0 EEABLO Cc1cccnc1Nc1nc(C2CC[NH+](CC(N)=O)CC2)cs1 ZINC000072367868 216174157 /nfs/dbraw/zinc/17/41/57/216174157.db2.gz FLFCJSCRYCQDCT-UHFFFAOYSA-N 1 2 331.445 2.255 40 0 EEABLO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](Cc2ccco2)C3)nc1 ZINC000253600516 244033478 /nfs/dbraw/zinc/03/34/78/244033478.db2.gz PSDLIHUDCGHDIE-OAHLLOKOSA-N 1 2 328.416 2.471 40 0 EEABLO COc1cccc(C[N@@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1 ZINC000019565470 212044413 /nfs/dbraw/zinc/04/44/13/212044413.db2.gz KUHPGRSRPUKDPE-UHFFFAOYSA-N 1 2 348.406 2.399 40 0 EEABLO COc1cccc(C[N@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1 ZINC000019565470 212044418 /nfs/dbraw/zinc/04/44/18/212044418.db2.gz KUHPGRSRPUKDPE-UHFFFAOYSA-N 1 2 348.406 2.399 40 0 EEABLO O=C(Nc1ccccc1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609165 217944388 /nfs/dbraw/zinc/94/43/88/217944388.db2.gz RPYQRBIJFXBIMM-INIZCTEOSA-N 1 2 335.473 2.358 40 0 EEABLO COc1ccccc1NC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC000095405875 218340969 /nfs/dbraw/zinc/34/09/69/218340969.db2.gz LDFYKACWLYZZQH-UHFFFAOYSA-N 1 2 330.388 2.469 40 0 EEABLO O=C(NCc1cccnc1OCC(F)F)c1ccn2cc[nH+]c2c1 ZINC000095450728 218395650 /nfs/dbraw/zinc/39/56/50/218395650.db2.gz BJSCBQKSEPALKC-UHFFFAOYSA-N 1 2 332.310 2.303 40 0 EEABLO COc1cnccc1[C@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000189652516 533146808 /nfs/dbraw/zinc/14/68/08/533146808.db2.gz VPKRXFPROPCKRW-ZDUSSCGKSA-N 1 2 339.399 2.341 40 0 EEABLO Cc1cc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)sc1C ZINC000091047225 462826187 /nfs/dbraw/zinc/82/61/87/462826187.db2.gz UDNNXRKYSCBMTN-CYBMUJFWSA-N 1 2 337.470 2.317 40 0 EEABLO c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)nc1 ZINC000096041817 463146693 /nfs/dbraw/zinc/14/66/93/463146693.db2.gz OLOFLABSQQZWBL-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)nc1 ZINC000096041817 463146698 /nfs/dbraw/zinc/14/66/98/463146698.db2.gz OLOFLABSQQZWBL-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO c1csc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048343 463151895 /nfs/dbraw/zinc/15/18/95/463151895.db2.gz IIUIXBJWAOMLND-XJKSGUPXSA-N 1 2 331.445 2.169 40 0 EEABLO c1csc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)n1 ZINC000096048343 463151900 /nfs/dbraw/zinc/15/19/00/463151900.db2.gz IIUIXBJWAOMLND-XJKSGUPXSA-N 1 2 331.445 2.169 40 0 EEABLO c1nc(CNc2ncccn2)c2n1CCC[N@@H+](Cc1ccccn1)C2 ZINC000096259422 463229578 /nfs/dbraw/zinc/22/95/78/463229578.db2.gz GSGOTZMIQVHKGK-UHFFFAOYSA-N 1 2 335.415 2.086 40 0 EEABLO c1nc(CNc2ncccn2)c2n1CCC[N@H+](Cc1ccccn1)C2 ZINC000096259422 463229583 /nfs/dbraw/zinc/22/95/83/463229583.db2.gz GSGOTZMIQVHKGK-UHFFFAOYSA-N 1 2 335.415 2.086 40 0 EEABLO CC(C)Cn1cc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000096435519 463263160 /nfs/dbraw/zinc/26/31/60/463263160.db2.gz DUHACOWFFLXXHV-UHFFFAOYSA-N 1 2 342.447 2.284 40 0 EEABLO CC[C@H](C)S(=O)(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000096472474 463279032 /nfs/dbraw/zinc/27/90/32/463279032.db2.gz YCBMSZRZDPJOQB-VIFPVBQESA-N 1 2 346.250 2.315 40 0 EEABLO Cc1cc2[nH+]cn(C[C@H](O)CSc3cccc[n+]3[O-])c2cc1C ZINC000071948359 463477193 /nfs/dbraw/zinc/47/71/93/463477193.db2.gz RVIUNPPRFCBHCD-AWEZNQCLSA-N 1 2 329.425 2.440 40 0 EEABLO CC(=O)N1CCN(c2cc(C)c([C@H](O)c3ccccc3)c[nH+]2)CC1 ZINC000072223735 463484149 /nfs/dbraw/zinc/48/41/49/463484149.db2.gz DUUSQWZFBJVSRA-LJQANCHMSA-N 1 2 325.412 2.140 40 0 EEABLO COC(=O)[C@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000041624193 463498578 /nfs/dbraw/zinc/49/85/78/463498578.db2.gz CJWCFCJZCQSCLW-KBRIMQKVSA-N 1 2 346.427 2.440 40 0 EEABLO COC(=O)[C@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000041624193 463498579 /nfs/dbraw/zinc/49/85/79/463498579.db2.gz CJWCFCJZCQSCLW-KBRIMQKVSA-N 1 2 346.427 2.440 40 0 EEABLO CC(C)c1cccc(N2C[C@@H](C(=O)NCCn3cc[nH+]c3)CC2=O)c1 ZINC000044376196 463677467 /nfs/dbraw/zinc/67/74/67/463677467.db2.gz GIDIGOXEKBVBOL-INIZCTEOSA-N 1 2 340.427 2.176 40 0 EEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)C2)[nH+]1 ZINC000257288846 463763034 /nfs/dbraw/zinc/76/30/34/463763034.db2.gz PVYSHVMZUIWQNP-SECBINFHSA-N 1 2 327.310 2.100 40 0 EEABLO Cc1nc([C@@H]2C[N@H+](CCOc3ccc(F)cc3)CCO2)cc(=O)[nH]1 ZINC000257321303 463776512 /nfs/dbraw/zinc/77/65/12/463776512.db2.gz WBBKNCXRKKTPPX-INIZCTEOSA-N 1 2 333.363 2.082 40 0 EEABLO Cc1nc([C@@H]2C[N@@H+](CCOc3ccc(F)cc3)CCO2)cc(=O)[nH]1 ZINC000257321303 463776516 /nfs/dbraw/zinc/77/65/16/463776516.db2.gz WBBKNCXRKKTPPX-INIZCTEOSA-N 1 2 333.363 2.082 40 0 EEABLO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1nnc(C)o1)CC2 ZINC000253420266 465009071 /nfs/dbraw/zinc/00/90/71/465009071.db2.gz VJIFCENZBCBPDW-UHFFFAOYSA-N 1 2 333.388 2.005 40 0 EEABLO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1nnc(C)o1)CC2 ZINC000253420266 465009076 /nfs/dbraw/zinc/00/90/76/465009076.db2.gz VJIFCENZBCBPDW-UHFFFAOYSA-N 1 2 333.388 2.005 40 0 EEABLO CCN1CC[C@]2(C[N@H+](Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O ZINC000585093091 468962145 /nfs/dbraw/zinc/96/21/45/468962145.db2.gz BPABGEVYQRRLDP-KRWDZBQOSA-N 1 2 338.398 2.259 40 0 EEABLO CCN1CC[C@]2(C[N@@H+](Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O ZINC000585093091 468962150 /nfs/dbraw/zinc/96/21/50/468962150.db2.gz BPABGEVYQRRLDP-KRWDZBQOSA-N 1 2 338.398 2.259 40 0 EEABLO CC[C@H](O)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245338742 535971784 /nfs/dbraw/zinc/97/17/84/535971784.db2.gz OGOTZCSWJSVETQ-RCBQFDQVSA-N 1 2 341.402 2.170 40 0 EEABLO CC[C@H](O)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245338742 535971790 /nfs/dbraw/zinc/97/17/90/535971790.db2.gz OGOTZCSWJSVETQ-RCBQFDQVSA-N 1 2 341.402 2.170 40 0 EEABLO O=C(NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccncc1 ZINC000038589971 213216552 /nfs/dbraw/zinc/21/65/52/213216552.db2.gz XVBMPLSZRRHPOJ-UHFFFAOYSA-N 1 2 344.846 2.287 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)[nH+]1 ZINC000257224208 244194615 /nfs/dbraw/zinc/19/46/15/244194615.db2.gz FATBQDHEZSHWQR-INIZCTEOSA-N 1 2 336.399 2.491 40 0 EEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCN2CCc3ccccc32)[nH+]1 ZINC000257221313 244184572 /nfs/dbraw/zinc/18/45/72/244184572.db2.gz DOLHJYVOEBSVFT-QGZVFWFLSA-N 1 2 340.427 2.071 40 0 EEABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)[nH+]1 ZINC000257275705 244391241 /nfs/dbraw/zinc/39/12/41/244391241.db2.gz NQNDQMACUUEPTI-MRXNPFEDSA-N 1 2 336.399 2.287 40 0 EEABLO Cc1ccnc(-n2cccc2C[N@H+]2CCc3c(=O)[nH]c(C)nc3C2)c1 ZINC000019238224 212009374 /nfs/dbraw/zinc/00/93/74/212009374.db2.gz FXJDWXTWEASQPG-UHFFFAOYSA-N 1 2 335.411 2.131 40 0 EEABLO Cc1ccnc(-n2cccc2C[N@@H+]2CCc3c(=O)[nH]c(C)nc3C2)c1 ZINC000019238224 212009376 /nfs/dbraw/zinc/00/93/76/212009376.db2.gz FXJDWXTWEASQPG-UHFFFAOYSA-N 1 2 335.411 2.131 40 0 EEABLO COc1ccc(OCC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000130417034 533003792 /nfs/dbraw/zinc/00/37/92/533003792.db2.gz TZLBYNGPBJNHDL-OAHLLOKOSA-N 1 2 341.411 2.254 40 0 EEABLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178279140 533191317 /nfs/dbraw/zinc/19/13/17/533191317.db2.gz GJHCZVKSZWNANG-KBPBESRZSA-N 1 2 335.414 2.202 40 0 EEABLO Cc1ccc(N2CCCN(c3nc(C)[nH+]c4c3CCCC4)CC2)nn1 ZINC000253426396 280867220 /nfs/dbraw/zinc/86/72/20/280867220.db2.gz OBYXLEXIRMZLBD-UHFFFAOYSA-N 1 2 338.459 2.479 40 0 EEABLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000328946540 311634694 /nfs/dbraw/zinc/63/46/94/311634694.db2.gz MHWQLBIYVWARHU-SMDDNHRTSA-N 1 2 330.413 2.047 40 0 EEABLO COC[C@@H]1CN(C(=O)c2cccc(C)n2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060284 463159891 /nfs/dbraw/zinc/15/98/91/463159891.db2.gz RFDXXFVAMGCZFA-HNNXBMFYSA-N 1 2 340.427 2.383 40 0 EEABLO Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@H](Cn3cccn3)C2)c(C)o1 ZINC000096188574 463200804 /nfs/dbraw/zinc/20/08/04/463200804.db2.gz GXKWARYXVZYESC-HNNXBMFYSA-N 1 2 339.399 2.262 40 0 EEABLO Cc1noc(C)c1CN1C[C@]2(CCN(c3cccc[nH+]3)C2)CC1=O ZINC000096239396 463224280 /nfs/dbraw/zinc/22/42/80/463224280.db2.gz GCSFAKDQZDPZBI-GOSISDBHSA-N 1 2 326.400 2.315 40 0 EEABLO Fc1cnc(N2CCN(Cc3cccnc3)c3[nH+]cccc3C2)nc1 ZINC000096260852 463231534 /nfs/dbraw/zinc/23/15/34/463231534.db2.gz BPJKFMNOVJNQLT-UHFFFAOYSA-N 1 2 336.374 2.433 40 0 EEABLO C[C@H](NC(=O)COC[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432094 463261255 /nfs/dbraw/zinc/26/12/55/463261255.db2.gz YONALOFQUAJLIP-YOEHRIQHSA-N 1 2 329.400 2.245 40 0 EEABLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000096441551 463267117 /nfs/dbraw/zinc/26/71/17/463267117.db2.gz YTNPOFKGZYZGJS-AWEZNQCLSA-N 1 2 349.862 2.168 40 0 EEABLO CCCCn1cc(C[N@H+]2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)c(C)n1 ZINC000257278933 463758175 /nfs/dbraw/zinc/75/81/75/463758175.db2.gz OEHCCWSZJZOHOG-KRWDZBQOSA-N 1 2 345.447 2.369 40 0 EEABLO Cc1ccnn1CCC(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257286967 463763310 /nfs/dbraw/zinc/76/33/10/463763310.db2.gz PNVKWFLROVZVFL-INIZCTEOSA-N 1 2 327.432 2.104 40 0 EEABLO COc1ncc(Cl)c(N2CC[NH+](Cc3c(C)noc3C)CC2)n1 ZINC000269111777 463878291 /nfs/dbraw/zinc/87/82/91/463878291.db2.gz XFGPDFJRCGIGLN-UHFFFAOYSA-N 1 2 337.811 2.066 40 0 EEABLO COC[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccc(C)o1 ZINC000225561647 464172552 /nfs/dbraw/zinc/17/25/52/464172552.db2.gz FYSLCQWTERCZQX-CYBMUJFWSA-N 1 2 330.375 2.369 40 0 EEABLO O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263913685 464237825 /nfs/dbraw/zinc/23/78/25/464237825.db2.gz NCAWZRPYDLVYDL-OLZOCXBDSA-N 1 2 344.381 2.390 40 0 EEABLO Cc1noc(C)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000244986171 464466369 /nfs/dbraw/zinc/46/63/69/464466369.db2.gz JIYXIQJZBHIYMD-CYBMUJFWSA-N 1 2 335.429 2.404 40 0 EEABLO Cc1cc(NC(=O)N[C@]2(CO)CCOC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000273479667 464718437 /nfs/dbraw/zinc/71/84/37/464718437.db2.gz LBNMQCCUABRIOW-KSSFIOAISA-N 1 2 348.447 2.042 40 0 EEABLO Cc1cnccc1C[N@@H+]1CCO[C@@](CO)(Cc2ccccc2F)C1 ZINC000585276517 469000383 /nfs/dbraw/zinc/00/03/83/469000383.db2.gz PKORZAMBMASAHG-IBGZPJMESA-N 1 2 330.403 2.335 40 0 EEABLO Cc1cnccc1C[N@H+]1CCO[C@@](CO)(Cc2ccccc2F)C1 ZINC000585276517 469000385 /nfs/dbraw/zinc/00/03/85/469000385.db2.gz PKORZAMBMASAHG-IBGZPJMESA-N 1 2 330.403 2.335 40 0 EEABLO CCC(=O)N1CCC[C@@H](Cc2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257220447 535300442 /nfs/dbraw/zinc/30/04/42/535300442.db2.gz DKWIQOLITLPDBZ-AWEZNQCLSA-N 1 2 327.432 2.377 40 0 EEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)[nH+]1 ZINC000257274712 244389447 /nfs/dbraw/zinc/38/94/47/244389447.db2.gz NMIDAVJRCFZIMA-CQSZACIVSA-N 1 2 327.384 2.477 40 0 EEABLO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cnnn1C ZINC000091962091 218094835 /nfs/dbraw/zinc/09/48/35/218094835.db2.gz CWNRFIDLQONCDW-BEFAXECRSA-N 1 2 342.491 2.251 40 0 EEABLO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cnnn1C ZINC000091962091 218094838 /nfs/dbraw/zinc/09/48/38/218094838.db2.gz CWNRFIDLQONCDW-BEFAXECRSA-N 1 2 342.491 2.251 40 0 EEABLO Nc1nc(N2CCN(C(=O)c3ccccc3)CC2)[nH+]c2ccccc12 ZINC000005740992 135672779 /nfs/dbraw/zinc/67/27/79/135672779.db2.gz LSLWRKIHIDSTKO-UHFFFAOYSA-N 1 2 333.395 2.174 40 0 EEABLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(=O)[nH]n3)n2)C1 ZINC000045871865 462627073 /nfs/dbraw/zinc/62/70/73/462627073.db2.gz GNVKUMBKIWQWEI-SNVBAGLBSA-N 1 2 333.417 2.123 40 0 EEABLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(=O)[nH]n3)n2)C1 ZINC000045871865 462627075 /nfs/dbraw/zinc/62/70/75/462627075.db2.gz GNVKUMBKIWQWEI-SNVBAGLBSA-N 1 2 333.417 2.123 40 0 EEABLO Cc1ccc(NC2CCN(C(=O)[C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000095395273 463074717 /nfs/dbraw/zinc/07/47/17/463074717.db2.gz USFBWQMFGFEJPY-QGZVFWFLSA-N 1 2 344.503 2.034 40 0 EEABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)cc1OC ZINC000095533815 463107746 /nfs/dbraw/zinc/10/77/46/463107746.db2.gz FKTRBKPVUWZLRT-OAHLLOKOSA-N 1 2 326.356 2.243 40 0 EEABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1ccsc1 ZINC000096062055 463161290 /nfs/dbraw/zinc/16/12/90/463161290.db2.gz OQMGBZNEYSWFNM-LBPRGKRZSA-N 1 2 327.413 2.406 40 0 EEABLO O=C(c1ccco1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202254 463207304 /nfs/dbraw/zinc/20/73/04/463207304.db2.gz YFYMEIXQHHZQNL-SFHVURJKSA-N 1 2 327.384 2.044 40 0 EEABLO COCCc1noc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000096414962 463247363 /nfs/dbraw/zinc/24/73/63/463247363.db2.gz DYTCIOBCLIMFJU-AWEZNQCLSA-N 1 2 347.390 2.493 40 0 EEABLO COCCc1noc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000096414962 463247367 /nfs/dbraw/zinc/24/73/67/463247367.db2.gz DYTCIOBCLIMFJU-AWEZNQCLSA-N 1 2 347.390 2.493 40 0 EEABLO CCn1cc[nH+]c1Cn1nc(Br)nc1Br ZINC000096444615 463270157 /nfs/dbraw/zinc/27/01/57/463270157.db2.gz 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ZINC000257226783 463756068 /nfs/dbraw/zinc/75/60/68/463756068.db2.gz FMDMDFGAWUISSG-IRXDYDNUSA-N 1 2 343.814 2.351 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)c2c(C)noc2C)CC[N@@H+]1C ZINC000257280393 463759372 /nfs/dbraw/zinc/75/93/72/463759372.db2.gz OKQUEAVLVZRKSR-OAHLLOKOSA-N 1 2 329.400 2.429 40 0 EEABLO COc1ccccc1[C@H]1CN(C(=O)c2c(C)noc2C)CC[N@H+]1C ZINC000257280393 463759380 /nfs/dbraw/zinc/75/93/80/463759380.db2.gz OKQUEAVLVZRKSR-OAHLLOKOSA-N 1 2 329.400 2.429 40 0 EEABLO CCCn1nc(C)c(C(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)c1C ZINC000257319365 463777080 /nfs/dbraw/zinc/77/70/80/463777080.db2.gz VSBKGLNSBWAYIS-CQSZACIVSA-N 1 2 331.420 2.155 40 0 EEABLO Nc1[nH+]cnc(N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1Cl ZINC000225481393 464164247 /nfs/dbraw/zinc/16/42/47/464164247.db2.gz PAVRCBPOJCGOJL-CYBMUJFWSA-N 1 2 345.834 2.358 40 0 EEABLO Nc1nc[nH+]c(N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1Cl ZINC000225481393 464164250 /nfs/dbraw/zinc/16/42/50/464164250.db2.gz PAVRCBPOJCGOJL-CYBMUJFWSA-N 1 2 345.834 2.358 40 0 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EEABLO COc1cc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)c2ccccc2n1 ZINC000080599753 217316189 /nfs/dbraw/zinc/31/61/89/217316189.db2.gz MZJCVJCHMBMVJV-CYBMUJFWSA-N 1 2 339.399 2.328 40 0 EEABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012143005 211304839 /nfs/dbraw/zinc/30/48/39/211304839.db2.gz CLCGPDDBMVLADW-UHFFFAOYSA-N 1 2 328.391 2.068 40 0 EEABLO O=c1[nH]c(N2CCCC2)nc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012143005 211304845 /nfs/dbraw/zinc/30/48/45/211304845.db2.gz CLCGPDDBMVLADW-UHFFFAOYSA-N 1 2 328.391 2.068 40 0 EEABLO CC(C)CCn1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000089271944 278801929 /nfs/dbraw/zinc/80/19/29/278801929.db2.gz QYYHLPCXILUNDL-MRXNPFEDSA-N 1 2 349.479 2.258 40 0 EEABLO Cn1cc(C(=O)N2Cc3c[nH+]cn3[C@H](COCC3CCCC3)C2)cn1 ZINC000248144456 294218253 /nfs/dbraw/zinc/21/82/53/294218253.db2.gz RMWQVZMMBCMMKC-KRWDZBQOSA-N 1 2 343.431 2.021 40 0 EEABLO O=C1CN(S(=O)(=O)c2cccc(Cl)c2F)c2cc[nH+]cc2N1 ZINC000390833374 323545408 /nfs/dbraw/zinc/54/54/08/323545408.db2.gz 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CNC(=O)C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)Cc2ccnn21 ZINC000247969859 464719370 /nfs/dbraw/zinc/71/93/70/464719370.db2.gz UFEWYUJVEWVNCQ-QGZVFWFLSA-N 1 2 335.411 2.124 40 0 EEABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)Cc2ccnn21 ZINC000247969859 464719377 /nfs/dbraw/zinc/71/93/77/464719377.db2.gz UFEWYUJVEWVNCQ-QGZVFWFLSA-N 1 2 335.411 2.124 40 0 EEABLO CN(C)c1noc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000192792588 464999381 /nfs/dbraw/zinc/99/93/81/464999381.db2.gz KZVZOROMSRFIJR-SNVBAGLBSA-N 1 2 344.341 2.188 40 0 EEABLO CN(C)c1noc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000192792588 464999390 /nfs/dbraw/zinc/99/93/90/464999390.db2.gz KZVZOROMSRFIJR-SNVBAGLBSA-N 1 2 344.341 2.188 40 0 EEABLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCOc2cccc(F)c2C1 ZINC000407979229 467489555 /nfs/dbraw/zinc/48/95/55/467489555.db2.gz SWMYYYZXURMSAY-UHFFFAOYSA-N 1 2 344.390 2.463 40 0 EEABLO O=C1NCC[N@@H+](C[C@H]2CCOC2)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000582700854 468578673 /nfs/dbraw/zinc/57/86/73/468578673.db2.gz BRPVWZVRNLBOIA-BXUZGUMPSA-N 1 2 344.333 2.095 40 0 EEABLO O=C1NCC[N@H+](C[C@H]2CCOC2)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000582700854 468578676 /nfs/dbraw/zinc/57/86/76/468578676.db2.gz BRPVWZVRNLBOIA-BXUZGUMPSA-N 1 2 344.333 2.095 40 0 EEABLO COCCc1c[nH+]c2n1CCN(C(=O)COc1ccccc1C)[C@@H]2C ZINC000585097527 468965781 /nfs/dbraw/zinc/96/57/81/468965781.db2.gz LAPXFJISBJIDEK-OAHLLOKOSA-N 1 2 343.427 2.363 40 0 EEABLO Cc1cccc(C[C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)C[C@@H]2O)c1 ZINC000585288675 469009564 /nfs/dbraw/zinc/00/95/64/469009564.db2.gz HGYQXESICINHRD-BHMLKFMNSA-N 1 2 325.412 2.183 40 0 EEABLO CNc1ncc(C[N@@H+]2CCC[C@@]2(C)c2nc(C)cc(N(C)C)n2)cn1 ZINC000257200573 536423964 /nfs/dbraw/zinc/42/39/64/536423964.db2.gz ADVUBCYMWGHWHG-SFHVURJKSA-N 1 2 341.463 2.194 40 0 EEABLO CNc1ncc(C[N@H+]2CCC[C@@]2(C)c2nc(C)cc(N(C)C)n2)cn1 ZINC000257200573 536423967 /nfs/dbraw/zinc/42/39/67/536423967.db2.gz ADVUBCYMWGHWHG-SFHVURJKSA-N 1 2 341.463 2.194 40 0 EEABLO COc1cccc(CC(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)c1 ZINC000038679279 213221017 /nfs/dbraw/zinc/22/10/17/213221017.db2.gz VRIRJTJHJMRXLC-UHFFFAOYSA-N 1 2 343.427 2.187 40 0 EEABLO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1n[nH]cc1C(=O)N(C)C ZINC000072351374 216161982 /nfs/dbraw/zinc/16/19/82/216161982.db2.gz AHOCSERJZYVJMQ-OAHLLOKOSA-N 1 2 328.416 2.457 40 0 EEABLO COc1ccccc1C[N@H+]1CCC[C@@H]1c1n[nH]cc1C(=O)N(C)C ZINC000072351374 216161984 /nfs/dbraw/zinc/16/19/84/216161984.db2.gz AHOCSERJZYVJMQ-OAHLLOKOSA-N 1 2 328.416 2.457 40 0 EEABLO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1[nH]ncc1C(=O)N(C)C ZINC000072351374 216161987 /nfs/dbraw/zinc/16/19/87/216161987.db2.gz AHOCSERJZYVJMQ-OAHLLOKOSA-N 1 2 328.416 2.457 40 0 EEABLO COc1ccccc1C[N@H+]1CCC[C@@H]1c1[nH]ncc1C(=O)N(C)C ZINC000072351374 216161990 /nfs/dbraw/zinc/16/19/90/216161990.db2.gz AHOCSERJZYVJMQ-OAHLLOKOSA-N 1 2 328.416 2.457 40 0 EEABLO CC(=O)N1CCN(c2cc[nH+]c(C)n2)C[C@@H](COc2ccccc2)C1 ZINC000072376713 216178945 /nfs/dbraw/zinc/17/89/45/216178945.db2.gz GDUPEEUVHBJBTD-KRWDZBQOSA-N 1 2 340.427 2.149 40 0 EEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCOc2ccccc2F)[nH+]1 ZINC000257225480 244199892 /nfs/dbraw/zinc/19/98/92/244199892.db2.gz FGJGUMAEYXRSGT-AWEZNQCLSA-N 1 2 333.363 2.226 40 0 EEABLO COc1cccc(C[N@@H+]2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)c1 ZINC000257243670 244249959 /nfs/dbraw/zinc/24/99/59/244249959.db2.gz IIAHMFBLBODIRN-IBGZPJMESA-N 1 2 340.427 2.065 40 0 EEABLO COc1cccc(C[N@H+]2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)c1 ZINC000257243670 244249963 /nfs/dbraw/zinc/24/99/63/244249963.db2.gz IIAHMFBLBODIRN-IBGZPJMESA-N 1 2 340.427 2.065 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3CCCC3)CC[N@@H+]2C)c1 ZINC000257235051 244227107 /nfs/dbraw/zinc/22/71/07/244227107.db2.gz GWFCTUXICZIDNE-KRWDZBQOSA-N 1 2 329.444 2.052 40 0 EEABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3CCCC3)CC[N@H+]2C)c1 ZINC000257235051 244227113 /nfs/dbraw/zinc/22/71/13/244227113.db2.gz GWFCTUXICZIDNE-KRWDZBQOSA-N 1 2 329.444 2.052 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)Cn2nc(C)cc2C)CC[N@@H+]1C ZINC000257241175 244245255 /nfs/dbraw/zinc/24/52/55/244245255.db2.gz HWXQOCMZTYRYMF-KRWDZBQOSA-N 1 2 342.443 2.024 40 0 EEABLO COc1ccccc1[C@@H]1CN(C(=O)Cn2nc(C)cc2C)CC[N@H+]1C ZINC000257241175 244245259 /nfs/dbraw/zinc/24/52/59/244245259.db2.gz HWXQOCMZTYRYMF-KRWDZBQOSA-N 1 2 342.443 2.024 40 0 EEABLO COc1cc2nc(NCCCc3cnn(C)c3)[nH+]c(N)c2cc1OC ZINC000078880571 217137674 /nfs/dbraw/zinc/13/76/74/217137674.db2.gz DOSKIBDRDXEBLG-UHFFFAOYSA-N 1 2 342.403 2.007 40 0 EEABLO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000080026217 217273023 /nfs/dbraw/zinc/27/30/23/217273023.db2.gz PHKFWPBTRXHTGH-SNVBAGLBSA-N 1 2 346.258 2.065 40 0 EEABLO CC1(C)C(=O)NCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000093084993 218191425 /nfs/dbraw/zinc/19/14/25/218191425.db2.gz DJFJCZFGKHWMSN-UHFFFAOYSA-N 1 2 325.412 2.371 40 0 EEABLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000093084993 218191427 /nfs/dbraw/zinc/19/14/27/218191427.db2.gz DJFJCZFGKHWMSN-UHFFFAOYSA-N 1 2 325.412 2.371 40 0 EEABLO CCCn1c[nH+]c2c1CN(C(=O)c1ccccc1)[C@H](C(=O)OC)C2 ZINC000015706986 462961529 /nfs/dbraw/zinc/96/15/29/462961529.db2.gz YVZGDQOFUDAEHH-HNNXBMFYSA-N 1 2 327.384 2.033 40 0 biogenic,in-vitro EEABLO COc1ccc([C@H]([NH3+])c2nc(CNc3cccc(OC)c3)n[nH]2)cc1 ZINC000095533694 463106814 /nfs/dbraw/zinc/10/68/14/463106814.db2.gz GVRCWORNNLOXLV-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc([C@H]([NH3+])c2nnc(CNc3cccc(OC)c3)[nH]2)cc1 ZINC000095533694 463106815 /nfs/dbraw/zinc/10/68/15/463106815.db2.gz GVRCWORNNLOXLV-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc([C@H]([NH3+])c2n[nH]c(CNc3cccc(OC)c3)n2)cc1 ZINC000095533694 463106817 /nfs/dbraw/zinc/10/68/17/463106817.db2.gz GVRCWORNNLOXLV-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)cc1OC ZINC000095534213 463107452 /nfs/dbraw/zinc/10/74/52/463107452.db2.gz LTHVYRNCGKQBRM-OAHLLOKOSA-N 1 2 325.372 2.322 40 0 EEABLO CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)cc1OC ZINC000095534213 463107455 /nfs/dbraw/zinc/10/74/55/463107455.db2.gz LTHVYRNCGKQBRM-OAHLLOKOSA-N 1 2 325.372 2.322 40 0 EEABLO CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2cn(C)nc21 ZINC000096068289 463166338 /nfs/dbraw/zinc/16/63/38/463166338.db2.gz CEFUDBZCFFLGSO-OAHLLOKOSA-N 1 2 329.400 2.285 40 0 EEABLO CCOC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2cn(C)nc21 ZINC000096068289 463166342 /nfs/dbraw/zinc/16/63/42/463166342.db2.gz CEFUDBZCFFLGSO-OAHLLOKOSA-N 1 2 329.400 2.285 40 0 EEABLO Cc1nc(C[N@@H+]2CCC3(CN(C(=O)c4cccnc4)C3)C2)cs1 ZINC000096202535 463209067 /nfs/dbraw/zinc/20/90/67/463209067.db2.gz IABZZNNGOOEBSP-UHFFFAOYSA-N 1 2 328.441 2.195 40 0 EEABLO Cc1nc(C[N@H+]2CCC3(CN(C(=O)c4cccnc4)C3)C2)cs1 ZINC000096202535 463209073 /nfs/dbraw/zinc/20/90/73/463209073.db2.gz IABZZNNGOOEBSP-UHFFFAOYSA-N 1 2 328.441 2.195 40 0 EEABLO Cc1csc(-c2cccc(OC[C@@H](O)C[NH+]3CCOCC3)c2)n1 ZINC000096484804 463283936 /nfs/dbraw/zinc/28/39/36/463283936.db2.gz NUFKUWDVXMPQHC-HNNXBMFYSA-N 1 2 334.441 2.190 40 0 EEABLO Cc1nc(C[C@H]2CCCN(c3cc(NCC4CC4)[nH+]cn3)C2)no1 ZINC000096496705 463289247 /nfs/dbraw/zinc/28/92/47/463289247.db2.gz WUDHLSLRHHGLLE-CQSZACIVSA-N 1 2 328.420 2.449 40 0 EEABLO Cc1nc(C[C@H]2CCCN(c3cc(NCC4CC4)nc[nH+]3)C2)no1 ZINC000096496705 463289252 /nfs/dbraw/zinc/28/92/52/463289252.db2.gz WUDHLSLRHHGLLE-CQSZACIVSA-N 1 2 328.420 2.449 40 0 EEABLO C[N@H+](CC1=CCCOC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000097095370 463321356 /nfs/dbraw/zinc/32/13/56/463321356.db2.gz DQNRYBBARZGYCA-AWEZNQCLSA-N 1 2 339.233 2.254 40 0 EEABLO C[N@@H+](CC1=CCCOC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000097095370 463321361 /nfs/dbraw/zinc/32/13/61/463321361.db2.gz DQNRYBBARZGYCA-AWEZNQCLSA-N 1 2 339.233 2.254 40 0 EEABLO CNc1nc(N2CCC[C@@H](n3cccn3)C2)[nH+]cc1Br ZINC000097103060 463323997 /nfs/dbraw/zinc/32/39/97/463323997.db2.gz LDRYRZLVBQWTCY-SNVBAGLBSA-N 1 2 337.225 2.319 40 0 EEABLO Cc1nc(N2CCN(C(=O)NC[C@H](C)c3cccs3)CC2)cc[nH+]1 ZINC000097376453 463356299 /nfs/dbraw/zinc/35/62/99/463356299.db2.gz PZWRAYSMNUUMCE-ZDUSSCGKSA-N 1 2 345.472 2.482 40 0 EEABLO Cc1nsc(NCc2ccccc2OCC[NH+]2CCOCC2)n1 ZINC000080970520 463375461 /nfs/dbraw/zinc/37/54/61/463375461.db2.gz FJSHIPKSSVHPAC-UHFFFAOYSA-N 1 2 334.445 2.170 40 0 EEABLO CCCCn1cc(C[N@H+]2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(C)n1 ZINC000257278934 463758738 /nfs/dbraw/zinc/75/87/38/463758738.db2.gz OEHCCWSZJZOHOG-QGZVFWFLSA-N 1 2 345.447 2.369 40 0 EEABLO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)no1 ZINC000195561438 464077524 /nfs/dbraw/zinc/07/75/24/464077524.db2.gz AURDDNPXYQYRSH-JTQLQIEISA-N 1 2 345.334 2.461 40 0 EEABLO CC1(C)CC(=O)Nc2ccc(C(=O)NCCCn3cc[nH+]c3)cc21 ZINC000222282653 464129351 /nfs/dbraw/zinc/12/93/51/464129351.db2.gz WXBPISCAVASEJY-UHFFFAOYSA-N 1 2 326.400 2.323 40 0 EEABLO Oc1cccc(C[NH+]2CCN(C(=S)NCc3ccco3)CC2)c1 ZINC000225221527 464154578 /nfs/dbraw/zinc/15/45/78/464154578.db2.gz KNGIAPPOJFVHBD-UHFFFAOYSA-N 1 2 331.441 2.178 40 0 EEABLO CCc1noc(CC)c1CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000225562074 464172741 /nfs/dbraw/zinc/17/27/41/464172741.db2.gz ITWBNNMPJRROGN-UHFFFAOYSA-N 1 2 329.391 2.393 40 0 EEABLO FCCn1ncnc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000241470675 464453692 /nfs/dbraw/zinc/45/36/92/464453692.db2.gz NWZATCPNVAHDPB-NSHDSACASA-N 1 2 346.332 2.300 40 0 EEABLO FCCn1ncnc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000241470675 464453699 /nfs/dbraw/zinc/45/36/99/464453699.db2.gz NWZATCPNVAHDPB-NSHDSACASA-N 1 2 346.332 2.300 40 0 EEABLO O=C([C@@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21)N1CCC1 ZINC000247892463 464713018 /nfs/dbraw/zinc/71/30/18/464713018.db2.gz ZAPNUXVEMSZLLQ-IBGZPJMESA-N 1 2 347.422 2.221 40 0 EEABLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCO[C@@H](Cn3cncn3)C2)c1C ZINC000331743302 466227044 /nfs/dbraw/zinc/22/70/44/466227044.db2.gz WUEOFTCQVFCTSX-QGZVFWFLSA-N 1 2 342.443 2.307 40 0 EEABLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCO[C@@H](Cn3cncn3)C2)c1C ZINC000331743302 466227051 /nfs/dbraw/zinc/22/70/51/466227051.db2.gz WUEOFTCQVFCTSX-QGZVFWFLSA-N 1 2 342.443 2.307 40 0 EEABLO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363933732 466659301 /nfs/dbraw/zinc/65/93/01/466659301.db2.gz IPIUBHXRIRFMDK-LBPRGKRZSA-N 1 2 346.324 2.391 40 0 EEABLO CC(C)[N@H+]1Cc2ccnn2[C@@H](CCNS(=O)(=O)c2ccccc2)C1 ZINC000585112996 468976119 /nfs/dbraw/zinc/97/61/19/468976119.db2.gz ZRIFPFHINBGBTE-INIZCTEOSA-N 1 2 348.472 2.017 40 0 EEABLO CC(C)[N@@H+]1Cc2ccnn2[C@@H](CCNS(=O)(=O)c2ccccc2)C1 ZINC000585112996 468976127 /nfs/dbraw/zinc/97/61/27/468976127.db2.gz ZRIFPFHINBGBTE-INIZCTEOSA-N 1 2 348.472 2.017 40 0 EEABLO Fc1cccnc1OC[C@H]1CCOC12C[NH+](Cc1cccnc1)C2 ZINC000247507632 526419855 /nfs/dbraw/zinc/41/98/55/526419855.db2.gz HJLPBOFMIYMYHO-OAHLLOKOSA-N 1 2 329.375 2.286 40 0 EEABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](Oc1cncc(C)n1)CCO2 ZINC000253601261 282232841 /nfs/dbraw/zinc/23/28/41/282232841.db2.gz NPNOHMKUBCULTI-AWEZNQCLSA-N 1 2 346.456 2.362 40 0 EEABLO Cc1cc(N2CCC(c3cc(CCC(N)=O)cc(C)[nH+]3)CC2)ncn1 ZINC000072360513 216167856 /nfs/dbraw/zinc/16/78/56/216167856.db2.gz ZUZJEWOKHWSHIA-UHFFFAOYSA-N 1 2 339.443 2.290 40 0 EEABLO Cc1ccc2cc3c(nc2c1C)OC(=O)N(CC[NH+]1CCOCC1)C3 ZINC000072396340 216192964 /nfs/dbraw/zinc/19/29/64/216192964.db2.gz POCWDGVSHDVODX-UHFFFAOYSA-N 1 2 341.411 2.498 40 0 EEABLO C[C@H]1c2nc(C(=O)NC3CCCC3)cn2CC[N@@H+]1C1CCOCC1 ZINC000253591318 291327546 /nfs/dbraw/zinc/32/75/46/291327546.db2.gz MCJZHQGTGLDVHE-ZDUSSCGKSA-N 1 2 332.448 2.111 40 0 EEABLO C[C@H]1c2nc(C(=O)NC3CCCC3)cn2CC[N@H+]1C1CCOCC1 ZINC000253591318 291327547 /nfs/dbraw/zinc/32/75/47/291327547.db2.gz MCJZHQGTGLDVHE-ZDUSSCGKSA-N 1 2 332.448 2.111 40 0 EEABLO COCCC(=O)N1CCC[C@H]1c1cccc(-c2c[nH+]c(C)n2C)n1 ZINC000257210047 244146346 /nfs/dbraw/zinc/14/63/46/244146346.db2.gz BSXNVOWEQJCOJD-INIZCTEOSA-N 1 2 328.416 2.491 40 0 EEABLO Cc1cc(C)n(CC(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)n1 ZINC000257246133 244258318 /nfs/dbraw/zinc/25/83/18/244258318.db2.gz ISPOZYWMVRZVRX-QGZVFWFLSA-N 1 2 335.411 2.480 40 0 EEABLO COCC[NH+]1CCN(C(=O)c2ncoc2-c2ccccc2Cl)CC1 ZINC000019593410 212049970 /nfs/dbraw/zinc/04/99/70/212049970.db2.gz KYGSMTBVYQEHGG-UHFFFAOYSA-N 1 2 349.818 2.399 40 0 EEABLO CCc1nnsc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000019521900 212036375 /nfs/dbraw/zinc/03/63/75/212036375.db2.gz FEPXNZIKSQYTJZ-ZDUSSCGKSA-N 1 2 345.403 2.493 40 0 EEABLO Cc1cccc2c3c([nH]c21)CCN(C(=O)[C@@H](C)[NH+]1CCOCC1)C3 ZINC000019236548 212006645 /nfs/dbraw/zinc/00/66/45/212006645.db2.gz UIFUBRYQDMBJGS-CQSZACIVSA-N 1 2 327.428 2.082 40 0 EEABLO COc1c(Br)c(C)sc1C(=O)NCc1[nH+]ccn1C ZINC000080006220 217270969 /nfs/dbraw/zinc/27/09/69/217270969.db2.gz OEXQHXMSGPBOSB-UHFFFAOYSA-N 1 2 344.234 2.491 40 0 EEABLO COc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000166137501 533066572 /nfs/dbraw/zinc/06/65/72/533066572.db2.gz PGUNSHRGGSNLHE-CQSZACIVSA-N 1 2 347.440 2.038 40 0 EEABLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000328946539 465177552 /nfs/dbraw/zinc/17/75/52/465177552.db2.gz MHWQLBIYVWARHU-RISCZKNCSA-N 1 2 330.413 2.047 40 0 EEABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349358 463018170 /nfs/dbraw/zinc/01/81/70/463018170.db2.gz DFVNMYWYGYSXDR-UHFFFAOYSA-N 1 2 342.418 2.458 40 0 EEABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000019349358 463018173 /nfs/dbraw/zinc/01/81/73/463018173.db2.gz DFVNMYWYGYSXDR-UHFFFAOYSA-N 1 2 342.418 2.458 40 0 EEABLO COc1ccc(NCc2n[nH]c([C@@H]([NH3+])c3ccc(OC)cc3)n2)cc1 ZINC000095533686 463107567 /nfs/dbraw/zinc/10/75/67/463107567.db2.gz AUFDATNGWVHGED-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc(NCc2nnc([C@@H]([NH3+])c3ccc(OC)cc3)[nH]2)cc1 ZINC000095533686 463107569 /nfs/dbraw/zinc/10/75/69/463107569.db2.gz AUFDATNGWVHGED-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO COc1ccc(NCc2nc([C@@H]([NH3+])c3ccc(OC)cc3)n[nH]2)cc1 ZINC000095533686 463107574 /nfs/dbraw/zinc/10/75/74/463107574.db2.gz AUFDATNGWVHGED-KRWDZBQOSA-N 1 2 339.399 2.482 40 0 EEABLO c1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC000096042207 463147504 /nfs/dbraw/zinc/14/75/04/463147504.db2.gz KLUWYJKCWUYDKA-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO c1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)nc1 ZINC000096042207 463147506 /nfs/dbraw/zinc/14/75/06/463147506.db2.gz KLUWYJKCWUYDKA-GBESFXJTSA-N 1 2 325.412 2.425 40 0 EEABLO C[C@]1(O)CC[C@@H](C(=O)NCc2ccc(F)cc2)[N@H+](Cc2ccoc2)C1 ZINC000096070424 463165909 /nfs/dbraw/zinc/16/59/09/463165909.db2.gz ITAHIHMKQGNRIM-HKUYNNGSSA-N 1 2 346.402 2.451 40 0 EEABLO C[C@]1(O)CC[C@@H](C(=O)NCc2ccc(F)cc2)[N@@H+](Cc2ccoc2)C1 ZINC000096070424 463165913 /nfs/dbraw/zinc/16/59/13/463165913.db2.gz ITAHIHMKQGNRIM-HKUYNNGSSA-N 1 2 346.402 2.451 40 0 EEABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)o1 ZINC000096253329 463228387 /nfs/dbraw/zinc/22/83/87/463228387.db2.gz QTCAWISYBFNHTK-IXDOHACOSA-N 1 2 327.384 2.211 40 0 EEABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)o1 ZINC000096253329 463228394 /nfs/dbraw/zinc/22/83/94/463228394.db2.gz QTCAWISYBFNHTK-IXDOHACOSA-N 1 2 327.384 2.211 40 0 EEABLO Cc1ccc(N2CCC[C@H](NC(=O)CCCn3cc[nH+]c3)C2=O)cc1 ZINC000096425876 463255294 /nfs/dbraw/zinc/25/52/94/463255294.db2.gz INGIEAVCXCDFDM-KRWDZBQOSA-N 1 2 340.427 2.284 40 0 EEABLO Brc1cnn(CC2CC[NH+](Cc3csnn3)CC2)c1 ZINC000097371187 463355757 /nfs/dbraw/zinc/35/57/57/463355757.db2.gz PJSNABUEPYKCMX-UHFFFAOYSA-N 1 2 342.266 2.409 40 0 EEABLO CC(C)[N@H+](CC(N)=O)Cc1cc(Br)cc2c1OCC2 ZINC000097379092 463358658 /nfs/dbraw/zinc/35/86/58/463358658.db2.gz QWQWYZYXAQAEBM-UHFFFAOYSA-N 1 2 327.222 2.080 40 0 EEABLO CC(C)[N@@H+](CC(N)=O)Cc1cc(Br)cc2c1OCC2 ZINC000097379092 463358660 /nfs/dbraw/zinc/35/86/60/463358660.db2.gz QWQWYZYXAQAEBM-UHFFFAOYSA-N 1 2 327.222 2.080 40 0 EEABLO C[C@@H](C(=O)N[C@H]1CCCC[C@@H]1C)[NH+]1CCN(c2nccs2)CC1 ZINC000104623316 463417435 /nfs/dbraw/zinc/41/74/35/463417435.db2.gz WWTNAOAFBZDTRG-KKUMJFAQSA-N 1 2 336.505 2.349 40 0 EEABLO CC(=O)N[C@H](c1nccs1)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000257282902 463761280 /nfs/dbraw/zinc/76/12/80/463761280.db2.gz OVUUQIBJOXHMMH-HNNXBMFYSA-N 1 2 331.445 2.335 40 0 EEABLO C[C@@H](Oc1cccc(F)c1F)C(=O)N1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000225413465 464158568 /nfs/dbraw/zinc/15/85/68/464158568.db2.gz BJOHSOQGRWEBNB-CYBMUJFWSA-N 1 2 349.381 2.405 40 0 EEABLO Cc1cncc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000190012233 464586559 /nfs/dbraw/zinc/58/65/59/464586559.db2.gz DXFZDDWKJHIZCI-QGZVFWFLSA-N 1 2 337.489 2.216 40 0 EEABLO Cc1cncc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000190012233 464586563 /nfs/dbraw/zinc/58/65/63/464586563.db2.gz DXFZDDWKJHIZCI-QGZVFWFLSA-N 1 2 337.489 2.216 40 0 EEABLO O=C(c1ccoc1)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000247891324 464713187 /nfs/dbraw/zinc/71/31/87/464713187.db2.gz YTDMFVZMEKURSC-AWEZNQCLSA-N 1 2 337.383 2.255 40 0 EEABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](Oc2ncccc2F)CS3)n(C)n1 ZINC000248057212 464726443 /nfs/dbraw/zinc/72/64/43/464726443.db2.gz SSMBHFPJWWGRPG-AWEZNQCLSA-N 1 2 348.447 2.402 40 0 EEABLO Cc1c2ccccc2oc1C(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1CO ZINC000585094997 468964477 /nfs/dbraw/zinc/96/44/77/468964477.db2.gz YQEBBSBSSKHXEW-GFCCVEGCSA-N 1 2 325.368 2.034 40 0 EEABLO Cc1cc(N2CC[C@@H](Cc3cc(-c4nccn4C)ncn3)C2)nc[nH+]1 ZINC000585178879 468994428 /nfs/dbraw/zinc/99/44/28/468994428.db2.gz XROVWZHFQOHLQX-AWEZNQCLSA-N 1 2 335.415 2.045 40 0 EEABLO CCOc1ccc(CCC(=O)N2Cc3c[nH+]cn3[C@H](COC)C2)cc1 ZINC000253613828 535716128 /nfs/dbraw/zinc/71/61/28/535716128.db2.gz OMVJPCKRQKXWMV-KRWDZBQOSA-N 1 2 343.427 2.444 40 0 EEABLO Cn1c(=O)cc(C[N@H+](C)Cc2cccc(Cl)c2Cl)n(C)c1=O ZINC000056700852 214384865 /nfs/dbraw/zinc/38/48/65/214384865.db2.gz YAVTXJVIAKHDMX-UHFFFAOYSA-N 1 2 342.226 2.023 40 0 EEABLO Cn1c(=O)cc(C[N@@H+](C)Cc2cccc(Cl)c2Cl)n(C)c1=O ZINC000056700852 214384867 /nfs/dbraw/zinc/38/48/67/214384867.db2.gz YAVTXJVIAKHDMX-UHFFFAOYSA-N 1 2 342.226 2.023 40 0 EEABLO Cc1nc2c(c(N3CCC[C@H](O)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000072347593 216160248 /nfs/dbraw/zinc/16/02/48/216160248.db2.gz RSFJCVQISOBLLF-KRWDZBQOSA-N 1 2 338.455 2.304 40 0 EEABLO Cc1nc2c(c(N3CCC[C@H](O)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072347593 216160251 /nfs/dbraw/zinc/16/02/51/216160251.db2.gz RSFJCVQISOBLLF-KRWDZBQOSA-N 1 2 338.455 2.304 40 0 EEABLO O=C(COc1ccccc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378592 216181533 /nfs/dbraw/zinc/18/15/33/216181533.db2.gz LVGVGEBDWSMHHK-QGZVFWFLSA-N 1 2 349.394 2.405 40 0 EEABLO Cc1ncsc1C(=O)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378608 216181937 /nfs/dbraw/zinc/18/19/37/216181937.db2.gz OEKWWNRUFYAPNL-CYBMUJFWSA-N 1 2 340.412 2.405 40 0 EEABLO O=C(NCC[NH+]1CCOCC1)c1ccc2nc(Cl)sc2c1 ZINC000225975318 242083662 /nfs/dbraw/zinc/08/36/62/242083662.db2.gz WXWZMKBBXGFFIN-UHFFFAOYSA-N 1 2 325.821 2.012 40 0 EEABLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NC[C@H]2CCCO2)s1 ZINC000245287250 243102710 /nfs/dbraw/zinc/10/27/10/243102710.db2.gz BQXRPILHIHOGTB-QWHCGFSZSA-N 1 2 325.478 2.302 40 0 EEABLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NC[C@H]2CCCO2)s1 ZINC000245287250 243102715 /nfs/dbraw/zinc/10/27/15/243102715.db2.gz BQXRPILHIHOGTB-QWHCGFSZSA-N 1 2 325.478 2.302 40 0 EEABLO Cc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2cncc(C)n2)CCO3)n1 ZINC000253601074 244034201 /nfs/dbraw/zinc/03/42/01/244034201.db2.gz IPORAHIRHBJQDH-QGZVFWFLSA-N 1 2 340.427 2.301 40 0 EEABLO Cc1nc([C@@H]2CCCN2C(=O)CCCn2cc[nH+]c2)cc(N(C)C)n1 ZINC000257201583 244121915 /nfs/dbraw/zinc/12/19/15/244121915.db2.gz AIFMDPXHARLGDS-INIZCTEOSA-N 1 2 342.447 2.191 40 0 EEABLO Cc1cccc(N2CCC[C@@H](NC(=O)c3ccc4[nH]nnc4c3)C2)[nH+]1 ZINC000257208837 244143053 /nfs/dbraw/zinc/14/30/53/244143053.db2.gz BNTQLTHPKIMJPH-CQSZACIVSA-N 1 2 336.399 2.060 40 0 EEABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@@H](c2cnccn2)C1 ZINC000257261394 244351496 /nfs/dbraw/zinc/35/14/96/244351496.db2.gz LHCUDSCEZNCKAP-OAHLLOKOSA-N 1 2 334.383 2.077 40 0 EEABLO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020034641 212095323 /nfs/dbraw/zinc/09/53/23/212095323.db2.gz MOHFQPKTHSPCMZ-UHFFFAOYSA-N 1 2 343.408 2.359 40 0 EEABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 ZINC000019706148 212055578 /nfs/dbraw/zinc/05/55/78/212055578.db2.gz YHTIFZLTPHPIBV-MRXNPFEDSA-N 1 2 345.491 2.400 40 0 EEABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 ZINC000019706148 212055582 /nfs/dbraw/zinc/05/55/82/212055582.db2.gz YHTIFZLTPHPIBV-MRXNPFEDSA-N 1 2 345.491 2.400 40 0 EEABLO Cc1[nH+]c([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)c2sccn12 ZINC000019240779 212008627 /nfs/dbraw/zinc/00/86/27/212008627.db2.gz OJUYLJHRKZIOCY-LBPRGKRZSA-N 1 2 329.429 2.458 40 0 EEABLO Cc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cnn1C ZINC000078917087 217148000 /nfs/dbraw/zinc/14/80/00/217148000.db2.gz GUFQJQWJENHTGN-CYBMUJFWSA-N 1 2 348.397 2.401 40 0 EEABLO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cnn1C ZINC000078917087 217148003 /nfs/dbraw/zinc/14/80/03/217148003.db2.gz GUFQJQWJENHTGN-CYBMUJFWSA-N 1 2 348.397 2.401 40 0 EEABLO COc1ccc(OC)c2c1CN(Cc1cccc3[nH+]ccn31)C[C@@H]2O ZINC000179613969 532996140 /nfs/dbraw/zinc/99/61/40/532996140.db2.gz BAGNAMVWIJSXAZ-HNNXBMFYSA-N 1 2 339.395 2.401 40 0 EEABLO OCCNc1nc(N2CCCC2)nc(NCCC2=CCCCC2)[nH+]1 ZINC000005027186 210366645 /nfs/dbraw/zinc/36/66/45/210366645.db2.gz NXPARRSKSIWLCB-UHFFFAOYSA-N 1 2 332.452 2.178 40 0 EEABLO OCCNc1nc(NCCC2=CCCCC2)[nH+]c(N2CCCC2)n1 ZINC000005027186 210366649 /nfs/dbraw/zinc/36/66/49/210366649.db2.gz NXPARRSKSIWLCB-UHFFFAOYSA-N 1 2 332.452 2.178 40 0 EEABLO OCCNc1nc(NCCC2=CCCCC2)nc(N2CCCC2)[nH+]1 ZINC000005027186 210366654 /nfs/dbraw/zinc/36/66/54/210366654.db2.gz NXPARRSKSIWLCB-UHFFFAOYSA-N 1 2 332.452 2.178 40 0 EEABLO COCCn1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000004847671 210299073 /nfs/dbraw/zinc/29/90/73/210299073.db2.gz JBJBFSZUXKUIDF-INIZCTEOSA-N 1 2 333.411 2.280 40 0 EEABLO Cc1cc(N)cc([C@@H]2C[N@H+](Cc3ccccc3C(=O)[O-])CCO2)[nH+]1 ZINC000257294641 301330590 /nfs/dbraw/zinc/33/05/90/301330590.db2.gz QVAMYSCFSNGHHC-KRWDZBQOSA-N 1 2 327.384 2.244 40 0 EEABLO Cc1cc(N)cc([C@@H]2C[N@@H+](Cc3ccccc3C(=O)[O-])CCO2)[nH+]1 ZINC000257294641 301330594 /nfs/dbraw/zinc/33/05/94/301330594.db2.gz QVAMYSCFSNGHHC-KRWDZBQOSA-N 1 2 327.384 2.244 40 0 EEABLO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000075166365 462690524 /nfs/dbraw/zinc/69/05/24/462690524.db2.gz IKFMVIOVOQZREP-UHFFFAOYSA-N 1 2 341.415 2.456 40 0 EEABLO C[NH+](C)Cc1cc(C2CCN(C(=O)CC3(O)CCCCC3)CC2)n[nH]1 ZINC000019708948 463020685 /nfs/dbraw/zinc/02/06/85/463020685.db2.gz FZYOTYLWKNOSCG-UHFFFAOYSA-N 1 2 348.491 2.263 40 0 EEABLO COc1ncccc1C[N@@H+]1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 ZINC000096209631 463214037 /nfs/dbraw/zinc/21/40/37/463214037.db2.gz GXLWCFVYUNNKRB-JZXOWHBKSA-N 1 2 341.411 2.296 40 0 EEABLO COc1ncccc1C[N@H+]1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 ZINC000096209631 463214041 /nfs/dbraw/zinc/21/40/41/463214041.db2.gz GXLWCFVYUNNKRB-JZXOWHBKSA-N 1 2 341.411 2.296 40 0 EEABLO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCC[NH+]1CCOCC1 ZINC000096413270 463246117 /nfs/dbraw/zinc/24/61/17/463246117.db2.gz OAKAZROFAJEVKW-AWEZNQCLSA-N 1 2 339.867 2.245 40 0 EEABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cnccn1 ZINC000096432944 463261220 /nfs/dbraw/zinc/26/12/20/463261220.db2.gz RPFMHLDFRABJFT-UHFFFAOYSA-N 1 2 325.416 2.250 40 0 EEABLO COCc1ccc([C@@H]2CCCN2C(=O)NCCc2[nH+]ccn2C)o1 ZINC000096503271 463292732 /nfs/dbraw/zinc/29/27/32/463292732.db2.gz UJSZCNMMGACSAO-AWEZNQCLSA-N 1 2 332.404 2.249 40 0 EEABLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000097228039 463349978 /nfs/dbraw/zinc/34/99/78/463349978.db2.gz NOVPDNXEKPHGGR-BXUZGUMPSA-N 1 2 326.322 2.327 40 0 EEABLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000097228039 463349981 /nfs/dbraw/zinc/34/99/81/463349981.db2.gz NOVPDNXEKPHGGR-BXUZGUMPSA-N 1 2 326.322 2.327 40 0 EEABLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)[C@H]2C=CCCC2)c1 ZINC000083248869 463543746 /nfs/dbraw/zinc/54/37/46/463543746.db2.gz MSLWAPZLHCBTGZ-ZDUSSCGKSA-N 1 2 329.404 2.220 40 0 EEABLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)[C@H]2C=CCCC2)c1 ZINC000083248869 463543754 /nfs/dbraw/zinc/54/37/54/463543754.db2.gz MSLWAPZLHCBTGZ-ZDUSSCGKSA-N 1 2 329.404 2.220 40 0 EEABLO c1ccc(N2CC[NH+](Cc3cnc([C@H]4CCCCO4)nc3)CC2)nc1 ZINC000257306045 463770930 /nfs/dbraw/zinc/77/09/30/463770930.db2.gz SSQULAVLHYHVRL-QGZVFWFLSA-N 1 2 339.443 2.435 40 0 EEABLO Cc1oc2c(c1C(=O)N(C)[C@@H]1CC[C@@H](n3cc[nH+]c3)[C@@H]1O)CCCC2 ZINC000257309179 463772067 /nfs/dbraw/zinc/77/20/67/463772067.db2.gz TZWDBGYHXXJDOM-IIDMSEBBSA-N 1 2 343.427 2.500 40 0 EEABLO COc1ccc(C2(C(=O)N3CCOC[C@H]3c3[nH]cc(C)[nH+]3)CC2)cc1 ZINC000257344363 463787931 /nfs/dbraw/zinc/78/79/31/463787931.db2.gz ZWWVEPOUVLVXLO-INIZCTEOSA-N 1 2 341.411 2.358 40 0 EEABLO CCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225647300 464177979 /nfs/dbraw/zinc/17/79/79/464177979.db2.gz AWNAVPVHARUCCU-UHFFFAOYSA-N 1 2 336.432 2.151 40 0 EEABLO CC(C)(C)n1ncnc1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000241231102 464450593 /nfs/dbraw/zinc/45/05/93/464450593.db2.gz KSAGEQRVCIIGSO-UHFFFAOYSA-N 1 2 333.480 2.258 40 0 EEABLO COC(=O)c1ccc(C[N@H+](C)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000245225408 464468903 /nfs/dbraw/zinc/46/89/03/464468903.db2.gz UQMUGRDCTYNTAZ-HZPDHXFCSA-N 1 2 344.411 2.038 40 0 EEABLO COC(=O)c1ccc(C[N@@H+](C)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000245225408 464468908 /nfs/dbraw/zinc/46/89/08/464468908.db2.gz UQMUGRDCTYNTAZ-HZPDHXFCSA-N 1 2 344.411 2.038 40 0 EEABLO CCc1nnc(C2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)[nH]1 ZINC000190700777 464705410 /nfs/dbraw/zinc/70/54/10/464705410.db2.gz ASTWIXKSVBJAQO-UHFFFAOYSA-N 1 2 328.376 2.390 40 0 EEABLO CCc1n[nH]c(C2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)n1 ZINC000190700777 464705413 /nfs/dbraw/zinc/70/54/13/464705413.db2.gz ASTWIXKSVBJAQO-UHFFFAOYSA-N 1 2 328.376 2.390 40 0 EEABLO CCc1nc(C2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)n[nH]1 ZINC000190700777 464705414 /nfs/dbraw/zinc/70/54/14/464705414.db2.gz ASTWIXKSVBJAQO-UHFFFAOYSA-N 1 2 328.376 2.390 40 0 EEABLO COC(=O)c1oc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc1C ZINC000191211240 464799829 /nfs/dbraw/zinc/79/98/29/464799829.db2.gz HZVODCHLOPWNHT-AWEZNQCLSA-N 1 2 335.429 2.398 40 0 EEABLO COC(=O)c1oc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc1C ZINC000191211240 464799832 /nfs/dbraw/zinc/79/98/32/464799832.db2.gz HZVODCHLOPWNHT-AWEZNQCLSA-N 1 2 335.429 2.398 40 0 EEABLO COC(=O)[C@@H](CNC(=O)c1ccc2[nH+]ccn2c1)c1ccc(F)cc1 ZINC000192767317 464993405 /nfs/dbraw/zinc/99/34/05/464993405.db2.gz RXUVLDMOBRRHOQ-HNNXBMFYSA-N 1 2 341.342 2.160 40 0 EEABLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(=O)c(OC)co1 ZINC000253395259 464998942 /nfs/dbraw/zinc/99/89/42/464998942.db2.gz IJLKITYSZLQTBW-GFCCVEGCSA-N 1 2 331.372 2.232 40 0 EEABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)o1 ZINC000306130301 466489896 /nfs/dbraw/zinc/48/98/96/466489896.db2.gz JBXSXRFQCBFMMV-HNNXBMFYSA-N 1 2 338.415 2.319 40 0 EEABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)o1 ZINC000306130301 466489904 /nfs/dbraw/zinc/48/99/04/466489904.db2.gz JBXSXRFQCBFMMV-HNNXBMFYSA-N 1 2 338.415 2.319 40 0 EEABLO Cn1cnc2c1[C@@H](C(=O)N1CCCCC1)C[N@H+](Cc1ccco1)C2 ZINC000585110850 468973832 /nfs/dbraw/zinc/97/38/32/468973832.db2.gz QEJULFAFFLBZRB-HNNXBMFYSA-N 1 2 328.416 2.125 40 0 EEABLO Cn1cnc2c1[C@@H](C(=O)N1CCCCC1)C[N@@H+](Cc1ccco1)C2 ZINC000585110850 468973835 /nfs/dbraw/zinc/97/38/35/468973835.db2.gz QEJULFAFFLBZRB-HNNXBMFYSA-N 1 2 328.416 2.125 40 0 EEABLO Cc1ccc(C[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@H]2O)cc1 ZINC000585278779 469004737 /nfs/dbraw/zinc/00/47/37/469004737.db2.gz GEXAJENQKDYARO-RTBURBONSA-N 1 2 341.455 2.424 40 0 EEABLO COc1ccccc1CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131227472 534010756 /nfs/dbraw/zinc/01/07/56/534010756.db2.gz CEVKFERSBXBKMZ-MRXNPFEDSA-N 1 2 325.412 2.418 40 0 EEABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)N4CCC(C)CC4)O[C@H]3C2)no1 ZINC000097953833 219064766 /nfs/dbraw/zinc/06/47/66/219064766.db2.gz BHRQXKPFNYGYHR-JQHSSLGASA-N 1 2 347.459 2.221 40 0 EEABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)N4CCC(C)CC4)O[C@H]3C2)no1 ZINC000097953833 219064767 /nfs/dbraw/zinc/06/47/67/219064767.db2.gz BHRQXKPFNYGYHR-JQHSSLGASA-N 1 2 347.459 2.221 40 0 EEABLO Cc1nc([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)ncc1C(N)=O ZINC000072345430 216159792 /nfs/dbraw/zinc/15/97/92/216159792.db2.gz AVUNCIUOBRZVRV-MRXNPFEDSA-N 1 2 344.390 2.239 40 0 EEABLO Cc1nc([C@H]2CCC[N@H+]2CCOc2ccc(F)cc2)ncc1C(N)=O ZINC000072345430 216159795 /nfs/dbraw/zinc/15/97/95/216159795.db2.gz AVUNCIUOBRZVRV-MRXNPFEDSA-N 1 2 344.390 2.239 40 0 EEABLO CNc1cc([C@@H]2C[N@H+](CCOc3ccccc3)CCO2)nc(C)n1 ZINC000072387841 216188537 /nfs/dbraw/zinc/18/85/37/216188537.db2.gz TUDKYVQJADXUPL-KRWDZBQOSA-N 1 2 328.416 2.279 40 0 EEABLO CNc1cc([C@@H]2C[N@@H+](CCOc3ccccc3)CCO2)nc(C)n1 ZINC000072387841 216188541 /nfs/dbraw/zinc/18/85/41/216188541.db2.gz TUDKYVQJADXUPL-KRWDZBQOSA-N 1 2 328.416 2.279 40 0 EEABLO O=C(COc1ccccc1Cl)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257200677 244119210 /nfs/dbraw/zinc/11/92/10/244119210.db2.gz AELLFFKRUHRVRN-GJZGRUSLSA-N 1 2 349.818 2.140 40 0 EEABLO Cc1nc(N2CCC[C@H](c3cnc(Nc4cnccn4)cn3)C2)cc[nH+]1 ZINC000257209843 244147395 /nfs/dbraw/zinc/14/73/95/244147395.db2.gz BSCQOCZBEHCLKR-AWEZNQCLSA-N 1 2 348.414 2.493 40 0 EEABLO Cc1cc(NCc2cccnc2-n2cncn2)nc(-c2ccncc2)[nH+]1 ZINC000078987836 217166842 /nfs/dbraw/zinc/16/68/42/217166842.db2.gz ZIUUSODPHJZVRQ-UHFFFAOYSA-N 1 2 344.382 2.435 40 0 EEABLO Cc1csc2nc3n(c(=O)c12)CC[N@H+](Cc1cccnc1)CC3 ZINC000019240287 279049697 /nfs/dbraw/zinc/04/96/97/279049697.db2.gz RKTLKNXWWGDYEY-UHFFFAOYSA-N 1 2 326.425 2.220 40 0 EEABLO Cc1csc2nc3n(c(=O)c12)CC[N@@H+](Cc1cccnc1)CC3 ZINC000019240287 279049698 /nfs/dbraw/zinc/04/96/98/279049698.db2.gz RKTLKNXWWGDYEY-UHFFFAOYSA-N 1 2 326.425 2.220 40 0 EEABLO Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000257301579 301026038 /nfs/dbraw/zinc/02/60/38/301026038.db2.gz RZAREZBFYMATIB-CYBMUJFWSA-N 1 2 341.820 2.134 40 0 EEABLO O=C(Cc1ccc(F)cc1Br)N1CCn2cc[nH+]c2C1 ZINC000390833720 323545587 /nfs/dbraw/zinc/54/55/87/323545587.db2.gz LYAUDIUTFOTTOP-UHFFFAOYSA-N 1 2 338.180 2.370 40 0 EEABLO Cc1nn(Cc2ccc(C(=O)N3CC[NH+](C)CC3)o2)c(C)c1Cl ZINC000002781405 462602709 /nfs/dbraw/zinc/60/27/09/462602709.db2.gz ZFSLKOOPKJHLRP-UHFFFAOYSA-N 1 2 336.823 2.182 40 0 EEABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(C)C ZINC000008017621 462762720 /nfs/dbraw/zinc/76/27/20/462762720.db2.gz INJREGYROFEUQK-UHFFFAOYSA-N 1 2 337.445 2.384 40 0 EEABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)cc1OC ZINC000095533817 463107393 /nfs/dbraw/zinc/10/73/93/463107393.db2.gz UBZMFIGWGWFSLY-OAHLLOKOSA-N 1 2 326.356 2.243 40 0 EEABLO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)cc1OC ZINC000095533817 463107396 /nfs/dbraw/zinc/10/73/96/463107396.db2.gz UBZMFIGWGWFSLY-OAHLLOKOSA-N 1 2 326.356 2.243 40 0 EEABLO c1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)nc1 ZINC000096041721 463146380 /nfs/dbraw/zinc/14/63/80/463146380.db2.gz RBOPMJGTBSBSQX-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)nc1 ZINC000096041721 463146382 /nfs/dbraw/zinc/14/63/82/463146382.db2.gz RBOPMJGTBSBSQX-IPMKNSEASA-N 1 2 325.412 2.425 40 0 EEABLO O=C(CCn1ncc2ccc(Cl)cc21)NCCCn1cc[nH+]c1 ZINC000096181989 463194202 /nfs/dbraw/zinc/19/42/02/463194202.db2.gz AVTJEVOEIBBUDY-UHFFFAOYSA-N 1 2 331.807 2.483 40 0 EEABLO c1csc(C[N@@H+]2CCO[C@]3(CCCN(c4nncs4)C3)C2)c1 ZINC000096226620 463221332 /nfs/dbraw/zinc/22/13/32/463221332.db2.gz WHAPJLZZFYJGEC-OAHLLOKOSA-N 1 2 336.486 2.471 40 0 EEABLO c1csc(C[N@H+]2CCO[C@]3(CCCN(c4nncs4)C3)C2)c1 ZINC000096226620 463221337 /nfs/dbraw/zinc/22/13/37/463221337.db2.gz WHAPJLZZFYJGEC-OAHLLOKOSA-N 1 2 336.486 2.471 40 0 EEABLO Cc1noc(-c2ccccc2C(=O)NCc2ccc[nH+]c2N(C)C)n1 ZINC000096426217 463256244 /nfs/dbraw/zinc/25/62/44/463256244.db2.gz TZNPLFQMOIPESY-UHFFFAOYSA-N 1 2 337.383 2.436 40 0 EEABLO COCCOC1CCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000096436600 463265032 /nfs/dbraw/zinc/26/50/32/463265032.db2.gz PTFSEDNMTSGONU-UHFFFAOYSA-N 1 2 343.427 2.448 40 0 EEABLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC(OCC2CC2)CC1 ZINC000096439076 463266268 /nfs/dbraw/zinc/26/62/68/463266268.db2.gz DXLONQQNRDPXDZ-UHFFFAOYSA-N 1 2 332.448 2.248 40 0 EEABLO Cc1ccc2[nH]nc(C(=O)N3CCN(C4=[NH+]C[C@H](C)S4)CC3)c2c1 ZINC000096443756 463268544 /nfs/dbraw/zinc/26/85/44/463268544.db2.gz NIJNJDZIJLAHLQ-LBPRGKRZSA-N 1 2 343.456 2.120 40 0 EEABLO C[N@H+](Cc1ccccc1OCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000096489414 463285054 /nfs/dbraw/zinc/28/50/54/463285054.db2.gz DXXRUSOOBBSAAG-KRWDZBQOSA-N 1 2 346.452 2.280 40 0 EEABLO C[N@@H+](Cc1ccccc1OCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000096489414 463285057 /nfs/dbraw/zinc/28/50/57/463285057.db2.gz DXXRUSOOBBSAAG-KRWDZBQOSA-N 1 2 346.452 2.280 40 0 EEABLO O=C(c1ccnnc1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096492997 463287788 /nfs/dbraw/zinc/28/77/88/463287788.db2.gz DVELTSUQNSBQFN-UHFFFAOYSA-N 1 2 333.395 2.114 40 0 EEABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1COc2ccccc2O1 ZINC000030862190 463315061 /nfs/dbraw/zinc/31/50/61/463315061.db2.gz GEDBVLYHSASPQM-SFHVURJKSA-N 1 2 335.363 2.329 40 0 EEABLO COC(=O)C[NH+]1CCC(Nc2ccccc2-n2ccc(C)n2)CC1 ZINC000097371271 463355057 /nfs/dbraw/zinc/35/50/57/463355057.db2.gz UZQJQIPGNFFPLM-UHFFFAOYSA-N 1 2 328.416 2.230 40 0 EEABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072355579 463509450 /nfs/dbraw/zinc/50/94/50/463509450.db2.gz SBDBNBWFPPACQA-AWEZNQCLSA-N 1 2 335.415 2.399 40 0 EEABLO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1nc(C(C)(C)C)no1 ZINC000177582418 463742228 /nfs/dbraw/zinc/74/22/28/463742228.db2.gz PLFXNCWVNOFIPW-CHWSQXEVSA-N 1 2 346.435 2.499 40 0 EEABLO O=C(OCc1ccc(-n2cc[nH+]c2)nc1)c1cnc(C(F)(F)F)nc1 ZINC000195570921 464078395 /nfs/dbraw/zinc/07/83/95/464078395.db2.gz ZSWDYQNFPVFTJK-UHFFFAOYSA-N 1 2 349.272 2.433 40 0 EEABLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ccccc2F)CC1 ZINC000225508650 464166624 /nfs/dbraw/zinc/16/66/24/464166624.db2.gz ZFCJXJYYQCGZIY-ZDUSSCGKSA-N 1 2 328.391 2.003 40 0 EEABLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ccccc2F)CC1 ZINC000225508650 464166629 /nfs/dbraw/zinc/16/66/29/464166629.db2.gz ZFCJXJYYQCGZIY-ZDUSSCGKSA-N 1 2 328.391 2.003 40 0 EEABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3COCC2CCOCC2)n1 ZINC000247878366 464711572 /nfs/dbraw/zinc/71/15/72/464711572.db2.gz QCWUVDICCDZSLE-SFHVURJKSA-N 1 2 346.471 2.424 40 0 EEABLO Cc1[nH+]cc(CN2CC[C@@H](C)S(=O)(=O)CC2)n1-c1ccccc1 ZINC000192049624 464856254 /nfs/dbraw/zinc/85/62/54/464856254.db2.gz SCQXJVBOTXSXKH-CQSZACIVSA-N 1 2 333.457 2.190 40 0 EEABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)COc1ccccc1C ZINC000585094816 468963725 /nfs/dbraw/zinc/96/37/25/468963725.db2.gz NUICDMHYEWXPAG-OAHLLOKOSA-N 1 2 343.427 2.097 40 0 EEABLO CC(C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585104148 468971721 /nfs/dbraw/zinc/97/17/21/468971721.db2.gz JMSJCVJYPNIAMS-SFHVURJKSA-N 1 2 338.398 2.424 40 0 EEABLO CC(C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585104148 468971728 /nfs/dbraw/zinc/97/17/28/468971728.db2.gz JMSJCVJYPNIAMS-SFHVURJKSA-N 1 2 338.398 2.424 40 0 EEABLO Cc1ccc(Nc2nc(N(C)C)[nH+]c(N3CCOCC3)n2)cc1C ZINC000041124410 1352494896 /nfs/dbraw/zinc/49/48/96/1352494896.db2.gz UKPZYIYJZGYJFD-UHFFFAOYSA-N 1 2 328.420 2.135 40 0 EEABLO CC(C)N1CC[N@H+](CC(=O)Nc2cccnn2)Cc2ccccc21 ZINC001548453965 1124295567 /nfs/dbraw/zinc/29/55/67/1124295567.db2.gz BJYBTZKPIRRZNF-UHFFFAOYSA-N 1 2 325.416 2.146 40 0 EEABLO CC(C)N1CC[N@@H+](CC(=O)Nc2cccnn2)Cc2ccccc21 ZINC001548453965 1124295569 /nfs/dbraw/zinc/29/55/69/1124295569.db2.gz BJYBTZKPIRRZNF-UHFFFAOYSA-N 1 2 325.416 2.146 40 0 EEABLO O=C(C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NC[C@H]1CCCO1 ZINC000245287325 243103626 /nfs/dbraw/zinc/10/36/26/243103626.db2.gz BXQDEDKVOOXXME-DOTOQJQBSA-N 1 2 348.418 2.016 40 0 EEABLO O=C(C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NC[C@H]1CCCO1 ZINC000245287325 243103629 /nfs/dbraw/zinc/10/36/29/243103629.db2.gz BXQDEDKVOOXXME-DOTOQJQBSA-N 1 2 348.418 2.016 40 0 EEABLO CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257231808 244215625 /nfs/dbraw/zinc/21/56/25/244215625.db2.gz GIHBRESHGFVRBI-MRXNPFEDSA-N 1 2 327.432 2.186 40 0 EEABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000257242293 244249228 /nfs/dbraw/zinc/24/92/28/244249228.db2.gz IBUQOWOGVVIFGN-SFHVURJKSA-N 1 2 328.391 2.195 40 0 EEABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000257242293 244249233 /nfs/dbraw/zinc/24/92/33/244249233.db2.gz IBUQOWOGVVIFGN-SFHVURJKSA-N 1 2 328.391 2.195 40 0 EEABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc2c([nH]c1=O)CCC2 ZINC000257242096 244246610 /nfs/dbraw/zinc/24/66/10/244246610.db2.gz IBCGKOBJQDEKAY-AWEZNQCLSA-N 1 2 338.411 2.070 40 0 EEABLO CN(C)c1cc([C@H]2CCCN2C(=O)COc2cccnc2)cc[nH+]1 ZINC000257271039 244377202 /nfs/dbraw/zinc/37/72/02/244377202.db2.gz MWOFZLMZXSFPGJ-MRXNPFEDSA-N 1 2 326.400 2.285 40 0 EEABLO FC(F)(F)c1ccc(NC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000016237494 211890953 /nfs/dbraw/zinc/89/09/53/211890953.db2.gz WBTSPTOEAAFYLH-UHFFFAOYSA-N 1 2 333.379 2.324 40 0 EEABLO c1cn(CCCNc2nc3ccccc3nc2N2CCOCC2)c[nH+]1 ZINC000091424830 218003287 /nfs/dbraw/zinc/00/32/87/218003287.db2.gz PRTOMRFPCFKZAU-UHFFFAOYSA-N 1 2 338.415 2.165 40 0 EEABLO Cc1cc(N2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)nc[nH+]1 ZINC000075166366 462691107 /nfs/dbraw/zinc/69/11/07/462691107.db2.gz UORFGEWZSRIMLO-UHFFFAOYSA-N 1 2 345.834 2.470 40 0 EEABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)NC(C)C)C[N@H+]3C)n2)cc1 ZINC000012529748 462854025 /nfs/dbraw/zinc/85/40/25/462854025.db2.gz LGEGUZTXPIZBLT-GJZGRUSLSA-N 1 2 343.431 2.498 40 0 biogenic,in-vitro EEABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)NC(C)C)C[N@@H+]3C)n2)cc1 ZINC000012529748 462854028 /nfs/dbraw/zinc/85/40/28/462854028.db2.gz LGEGUZTXPIZBLT-GJZGRUSLSA-N 1 2 343.431 2.498 40 0 biogenic,in-vitro EEABLO CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCCCC3)=[NH+]2)cc1 ZINC000017071553 462994925 /nfs/dbraw/zinc/99/49/25/462994925.db2.gz KWWXWUIZLQYFAP-MRXNPFEDSA-N 1 2 342.443 2.479 40 0 EEABLO CC(C)NC(=O)CN1c2cc(Cl)ccc2C2=[NH+]CCCN2C1=O ZINC000019449913 463017602 /nfs/dbraw/zinc/01/76/02/463017602.db2.gz WXVRSZQRKICTJH-UHFFFAOYSA-N 1 2 334.807 2.257 40 0 EEABLO CC1CCN(C(=O)[C@H]2C[C@@H]3CC[N@H+](Cc4nccs4)C[C@@H]3O2)CC1 ZINC000096043242 463147606 /nfs/dbraw/zinc/14/76/06/463147606.db2.gz YVULARZQQNQPOA-XHSDSOJGSA-N 1 2 349.500 2.381 40 0 EEABLO CC1CCN(C(=O)[C@H]2C[C@@H]3CC[N@@H+](Cc4nccs4)C[C@@H]3O2)CC1 ZINC000096043242 463147613 /nfs/dbraw/zinc/14/76/13/463147613.db2.gz YVULARZQQNQPOA-XHSDSOJGSA-N 1 2 349.500 2.381 40 0 EEABLO CCOC[C@H]1CN(C(=O)c2cc(C)on2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045137 463149365 /nfs/dbraw/zinc/14/93/65/463149365.db2.gz XPZIGSHNAQFMOM-CQSZACIVSA-N 1 2 344.415 2.366 40 0 EEABLO O=C(Nc1cc(-n2cccn2)ncn1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000096097980 463172305 /nfs/dbraw/zinc/17/23/05/463172305.db2.gz JSGDRPNDILITQP-UHFFFAOYSA-N 1 2 345.366 2.159 40 0 EEABLO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2O1)NCc1ccco1 ZINC000096208465 463212370 /nfs/dbraw/zinc/21/23/70/463212370.db2.gz FKVOCMMSUOHNOD-NWANDNLSSA-N 1 2 347.440 2.032 40 0 EEABLO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2O1)NCc1ccco1 ZINC000096208465 463212372 /nfs/dbraw/zinc/21/23/72/463212372.db2.gz FKVOCMMSUOHNOD-NWANDNLSSA-N 1 2 347.440 2.032 40 0 EEABLO c1nnc(N2CCOC[C@@]3(CCCN(c4cccc[nH+]4)C3)C2)s1 ZINC000096229246 463221715 /nfs/dbraw/zinc/22/17/15/463221715.db2.gz JSKPDVDZOHKOIG-MRXNPFEDSA-N 1 2 331.445 2.057 40 0 EEABLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000096424449 463255095 /nfs/dbraw/zinc/25/50/95/463255095.db2.gz XIHLKHSBHFFUJL-MRXNPFEDSA-N 1 2 346.406 2.302 40 0 EEABLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000096424449 463255100 /nfs/dbraw/zinc/25/51/00/463255100.db2.gz XIHLKHSBHFFUJL-MRXNPFEDSA-N 1 2 346.406 2.302 40 0 EEABLO CC(=O)N1CCN(c2ccc([C@H](O)c3ccccc3)c(C)[nH+]2)CC1 ZINC000072224780 463484648 /nfs/dbraw/zinc/48/46/48/463484648.db2.gz WARDRMCCDJHKBF-LJQANCHMSA-N 1 2 325.412 2.140 40 0 EEABLO CC[C@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccncc1 ZINC000185010758 463736210 /nfs/dbraw/zinc/73/62/10/463736210.db2.gz KUWILBPFGSATIB-INIZCTEOSA-N 1 2 340.431 2.163 40 0 EEABLO Cc1nc(N2CC[C@H](Cc3cnc(-c4cncn4C)cn3)C2)cc[nH+]1 ZINC000257278552 463758198 /nfs/dbraw/zinc/75/81/98/463758198.db2.gz OCRLJDQQJVWTTQ-CQSZACIVSA-N 1 2 335.415 2.045 40 0 EEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000257314390 463773797 /nfs/dbraw/zinc/77/37/97/463773797.db2.gz UWTBYNLAMJYLMC-CYBMUJFWSA-N 1 2 331.420 2.184 40 0 EEABLO COc1cc(C[N@@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)ccc1F ZINC000257341208 463785769 /nfs/dbraw/zinc/78/57/69/463785769.db2.gz ZJIIEJMOVLCIHY-HNNXBMFYSA-N 1 2 347.390 2.164 40 0 EEABLO COc1cc(C[N@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)ccc1F ZINC000257341208 463785770 /nfs/dbraw/zinc/78/57/70/463785770.db2.gz ZJIIEJMOVLCIHY-HNNXBMFYSA-N 1 2 347.390 2.164 40 0 EEABLO CNC(=O)C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247940116 464715211 /nfs/dbraw/zinc/71/52/11/464715211.db2.gz IAXNMGVEAZISFF-HNNXBMFYSA-N 1 2 348.834 2.108 40 0 EEABLO CNC(=O)C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247940116 464715213 /nfs/dbraw/zinc/71/52/13/464715213.db2.gz IAXNMGVEAZISFF-HNNXBMFYSA-N 1 2 348.834 2.108 40 0 EEABLO Cc1nc(CN2Cc3c[nH+]cn3[C@H](C(=O)NC3CCCC3)C2)cs1 ZINC000247963445 464717602 /nfs/dbraw/zinc/71/76/02/464717602.db2.gz PNSKDSHTMSTJMG-INIZCTEOSA-N 1 2 345.472 2.264 40 0 EEABLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000253430931 465013731 /nfs/dbraw/zinc/01/37/31/465013731.db2.gz OUVDPXSKLJTTDU-LBPRGKRZSA-N 1 2 325.459 2.125 40 0 EEABLO Cc1cnc(C(=O)N2CC[C@H]3CCN(c4cccc[nH+]4)[C@@H]3CC2)cn1 ZINC000306139128 466494066 /nfs/dbraw/zinc/49/40/66/466494066.db2.gz SQASBJKEUVVWQH-DOTOQJQBSA-N 1 2 337.427 2.311 40 0 EEABLO O=C(NCC[NH+]1CCOCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000408564683 466681294 /nfs/dbraw/zinc/68/12/94/466681294.db2.gz DOMJBRFWOFHBOA-OBGWFSINSA-N 1 2 326.396 2.269 40 0 EEABLO COc1cc(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ncn1 ZINC000585140622 468988452 /nfs/dbraw/zinc/98/84/52/468988452.db2.gz HXWHWJNOIBZGIN-JOCQHMNTSA-N 1 2 342.403 2.425 40 0 EEABLO Cc1cnccc1C[N@@H+]1CCO[C@](CO)(Cc2ccccc2F)C1 ZINC000585276518 469000460 /nfs/dbraw/zinc/00/04/60/469000460.db2.gz PKORZAMBMASAHG-LJQANCHMSA-N 1 2 330.403 2.335 40 0 EEABLO Cc1cnccc1C[N@H+]1CCO[C@](CO)(Cc2ccccc2F)C1 ZINC000585276518 469000462 /nfs/dbraw/zinc/00/04/62/469000462.db2.gz PKORZAMBMASAHG-LJQANCHMSA-N 1 2 330.403 2.335 40 0 EEABLO Cc1ccc(C[N@@H+]2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585275758 469001112 /nfs/dbraw/zinc/00/11/12/469001112.db2.gz JEAJUFIKLQRONG-IBGZPJMESA-N 1 2 330.403 2.335 40 0 EEABLO Cc1ccc(C[N@H+]2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585275758 469001120 /nfs/dbraw/zinc/00/11/20/469001120.db2.gz JEAJUFIKLQRONG-IBGZPJMESA-N 1 2 330.403 2.335 40 0 EEABLO COC[C@]1(CC(=O)N(C)C)C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000585277999 469003591 /nfs/dbraw/zinc/00/35/91/469003591.db2.gz ONVSCEHSMHQHKV-KRWDZBQOSA-N 1 2 340.851 2.036 40 0 EEABLO COC[C@]1(CC(=O)N(C)C)C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000585277999 469003595 /nfs/dbraw/zinc/00/35/95/469003595.db2.gz ONVSCEHSMHQHKV-KRWDZBQOSA-N 1 2 340.851 2.036 40 0 EEABLO Cn1cc(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nn1 ZINC000038671582 213220682 /nfs/dbraw/zinc/22/06/82/213220682.db2.gz WUTPVTFMQDWFFA-UHFFFAOYSA-N 1 2 338.415 2.395 40 0 EEABLO C[N@H+](Cc1cnn(C2CCCCC2)c1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000036740646 213116213 /nfs/dbraw/zinc/11/62/13/213116213.db2.gz COWCAFULVFGOHN-INIZCTEOSA-N 1 2 325.478 2.397 40 0 EEABLO C[N@@H+](Cc1cnn(C2CCCCC2)c1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000036740646 213116215 /nfs/dbraw/zinc/11/62/15/213116215.db2.gz COWCAFULVFGOHN-INIZCTEOSA-N 1 2 325.478 2.397 40 0 EEABLO CC(C)COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccccc1 ZINC000022594679 212308905 /nfs/dbraw/zinc/30/89/05/212308905.db2.gz ZWYRXZZTDCUQNU-UHFFFAOYSA-N 1 2 334.460 2.020 40 0 EEABLO Fc1ccnc(Nc2nccc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000257219780 244181621 /nfs/dbraw/zinc/18/16/21/244181621.db2.gz DICITLGLQCYNQT-LBPRGKRZSA-N 1 2 339.378 2.467 40 0 EEABLO Fc1ccnc(Nc2nccc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)c1 ZINC000257219780 244181628 /nfs/dbraw/zinc/18/16/28/244181628.db2.gz DICITLGLQCYNQT-LBPRGKRZSA-N 1 2 339.378 2.467 40 0 EEABLO C[N@@H+]1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1c1ccccc1 ZINC000257241662 244244441 /nfs/dbraw/zinc/24/44/41/244244441.db2.gz HYZXCPAVGTTYPQ-GOSISDBHSA-N 1 2 347.422 2.396 40 0 EEABLO C[N@H+]1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1c1ccccc1 ZINC000257241662 244244447 /nfs/dbraw/zinc/24/44/47/244244447.db2.gz HYZXCPAVGTTYPQ-GOSISDBHSA-N 1 2 347.422 2.396 40 0 EEABLO CC(=O)NCc1nccnc1C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000257265790 244361645 /nfs/dbraw/zinc/36/16/45/244361645.db2.gz MAGJNMKHXWXYGA-UHFFFAOYSA-N 1 2 345.472 2.257 40 0 EEABLO COc1ccc(C(=O)N2CC[NH+](C)CC2)nc1-c1ccc(F)cc1 ZINC000019872967 212077682 /nfs/dbraw/zinc/07/76/82/212077682.db2.gz FNGZKJUQZVXKJZ-UHFFFAOYSA-N 1 2 329.375 2.284 40 0 EEABLO Cc1nn(Cc2ccccc2)c(C)c1CC(=O)NCCn1cc[nH+]c1 ZINC000019578311 212046627 /nfs/dbraw/zinc/04/66/27/212046627.db2.gz JLTRZPFNQCOBFB-UHFFFAOYSA-N 1 2 337.427 2.104 40 0 EEABLO Cc1ccc2[nH]cc(NC(=O)NCCCn3cc[nH+]c3)c(=O)c2c1 ZINC000008994201 211030377 /nfs/dbraw/zinc/03/03/77/211030377.db2.gz AJSZFVFHPXYEAS-UHFFFAOYSA-N 1 2 325.372 2.245 40 0 EEABLO COc1ccc(OC)c2c1CN(Cc1cccc3[nH+]ccn31)C[C@H]2O ZINC000179613985 532996985 /nfs/dbraw/zinc/99/69/85/532996985.db2.gz BAGNAMVWIJSXAZ-OAHLLOKOSA-N 1 2 339.395 2.401 40 0 EEABLO CC(C)n1nnnc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000096491328 218868682 /nfs/dbraw/zinc/86/86/82/218868682.db2.gz DVEFTNIQKDTFEB-ZDUSSCGKSA-N 1 2 328.420 2.232 40 0 EEABLO CC(=O)N1CC[N@@H+](CCCS(=O)(=O)C(C)C)CC12CCCCC2 ZINC000242389359 278040837 /nfs/dbraw/zinc/04/08/37/278040837.db2.gz ZWNMDLHAOYXEKF-UHFFFAOYSA-N 1 2 344.521 2.067 40 0 EEABLO CC(=O)N1CC[N@H+](CCCS(=O)(=O)C(C)C)CC12CCCCC2 ZINC000242389359 278040838 /nfs/dbraw/zinc/04/08/38/278040838.db2.gz ZWNMDLHAOYXEKF-UHFFFAOYSA-N 1 2 344.521 2.067 40 0 EEABLO O=C(CCc1ccccc1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000085473391 462550129 /nfs/dbraw/zinc/55/01/29/462550129.db2.gz WRZGXJIULCIRLW-GOSISDBHSA-N 1 2 348.512 2.286 40 0 EEABLO Cc1noc(C)c1CN1CCn2c(Cn3cccn3)c[nH+]c2[C@@H]1C ZINC000096070145 463165636 /nfs/dbraw/zinc/16/56/36/463165636.db2.gz ZXAQMVAQBZRGOU-ZDUSSCGKSA-N 1 2 326.404 2.310 40 0 EEABLO C[C@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096109825 463178284 /nfs/dbraw/zinc/17/82/84/463178284.db2.gz WYRRVIFUTJREJZ-AWEZNQCLSA-N 1 2 338.415 2.167 40 0 EEABLO C[C@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096109825 463178292 /nfs/dbraw/zinc/17/82/92/463178292.db2.gz WYRRVIFUTJREJZ-AWEZNQCLSA-N 1 2 338.415 2.167 40 0 EEABLO Cn1cc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cn1 ZINC000096112243 463179719 /nfs/dbraw/zinc/17/97/19/463179719.db2.gz DCGKLVNVMXRROK-CJNGLKHVSA-N 1 2 347.369 2.175 40 0 biogenic,in-vitro EEABLO Cn1cc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cn1 ZINC000096112243 463179723 /nfs/dbraw/zinc/17/97/23/463179723.db2.gz DCGKLVNVMXRROK-CJNGLKHVSA-N 1 2 347.369 2.175 40 0 biogenic,in-vitro EEABLO Cc1cccc(C[N@@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)n1 ZINC000096226791 463220508 /nfs/dbraw/zinc/22/05/08/463220508.db2.gz QUSIRBICXBEPMR-IBGZPJMESA-N 1 2 331.460 2.239 40 0 EEABLO Cc1cccc(C[N@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)n1 ZINC000096226791 463220516 /nfs/dbraw/zinc/22/05/16/463220516.db2.gz QUSIRBICXBEPMR-IBGZPJMESA-N 1 2 331.460 2.239 40 0 EEABLO CCc1cnc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)s1 ZINC000096443486 463268807 /nfs/dbraw/zinc/26/88/07/463268807.db2.gz PEQUBEKLAPXBGL-OAHLLOKOSA-N 1 2 330.457 2.054 40 0 EEABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1n[nH]c2c1CCCC2 ZINC000096461368 463276368 /nfs/dbraw/zinc/27/63/68/463276368.db2.gz QBZWLANGPRXXBR-UHFFFAOYSA-N 1 2 340.427 2.373 40 0 EEABLO CCc1nsc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000096469736 463278212 /nfs/dbraw/zinc/27/82/12/463278212.db2.gz CELNVGXUZIFKKU-HUUCEWRRSA-N 1 2 330.457 2.190 40 0 EEABLO CCc1nsc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000096469736 463278218 /nfs/dbraw/zinc/27/82/18/463278218.db2.gz CELNVGXUZIFKKU-HUUCEWRRSA-N 1 2 330.457 2.190 40 0 EEABLO Cc1[nH]ccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000096470968 463278989 /nfs/dbraw/zinc/27/89/89/463278989.db2.gz FQEQGLBEEHMJNL-MSOLQXFVSA-N 1 2 325.412 2.049 40 0 EEABLO Cc1[nH]ccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000096470968 463278994 /nfs/dbraw/zinc/27/89/94/463278994.db2.gz FQEQGLBEEHMJNL-MSOLQXFVSA-N 1 2 325.412 2.049 40 0 EEABLO COc1ccc(CC[NH+]2CCN(C(=O)c3csnc3C)CC2)cc1 ZINC000097237498 463352062 /nfs/dbraw/zinc/35/20/62/463352062.db2.gz KGTQXOZREYRBPG-UHFFFAOYSA-N 1 2 345.468 2.461 40 0 EEABLO Cc1cc([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)nc(C)n1 ZINC000257228297 463756252 /nfs/dbraw/zinc/75/62/52/463756252.db2.gz FTIGTXQKRKIRQX-LJQANCHMSA-N 1 2 341.411 2.438 40 0 EEABLO Cc1cc([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)nc(C)n1 ZINC000257228297 463756255 /nfs/dbraw/zinc/75/62/55/463756255.db2.gz FTIGTXQKRKIRQX-LJQANCHMSA-N 1 2 341.411 2.438 40 0 EEABLO Nc1nccnc1[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257291927 463764801 /nfs/dbraw/zinc/76/48/01/463764801.db2.gz QJGUOXGBXSQKMU-OAHLLOKOSA-N 1 2 336.399 2.022 40 0 EEABLO Nc1nccnc1[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257291927 463764807 /nfs/dbraw/zinc/76/48/07/463764807.db2.gz QJGUOXGBXSQKMU-OAHLLOKOSA-N 1 2 336.399 2.022 40 0 EEABLO CNc1cc([C@@H]2CCCN2C(=O)CCc2cc(OC)no2)cc[nH+]1 ZINC000257338805 463784724 /nfs/dbraw/zinc/78/47/24/463784724.db2.gz YZAQIZYOJNITOU-AWEZNQCLSA-N 1 2 330.388 2.416 40 0 EEABLO O=C(Nc1cnccn1)c1cccc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257341906 463785593 /nfs/dbraw/zinc/78/55/93/463785593.db2.gz ZMJMGIIAJNRCEE-HNNXBMFYSA-N 1 2 349.398 2.184 40 0 EEABLO CCOCC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000195558080 464076230 /nfs/dbraw/zinc/07/62/30/464076230.db2.gz SVYCADLAXMLTRI-XJKSGUPXSA-N 1 2 330.350 2.392 40 0 EEABLO CCOCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000195558080 464076232 /nfs/dbraw/zinc/07/62/32/464076232.db2.gz SVYCADLAXMLTRI-XJKSGUPXSA-N 1 2 330.350 2.392 40 0 EEABLO Nc1[nH+]cnc(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1Cl ZINC000225480954 464163723 /nfs/dbraw/zinc/16/37/23/464163723.db2.gz KTTHWSZQFMCDMI-ZDUSSCGKSA-N 1 2 345.834 2.215 40 0 EEABLO Nc1nc[nH+]c(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1Cl ZINC000225480954 464163731 /nfs/dbraw/zinc/16/37/31/464163731.db2.gz KTTHWSZQFMCDMI-ZDUSSCGKSA-N 1 2 345.834 2.215 40 0 EEABLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nccc(N)n3)ccc2NC1=O ZINC000180021670 464226323 /nfs/dbraw/zinc/22/63/23/464226323.db2.gz QPFLIRWWGASYRR-GXFFZTMASA-N 1 2 327.388 2.019 40 0 EEABLO COC(=O)[C@H](Cc1ccc(F)cc1)Sc1[nH+]cnc2c1cnn2C ZINC000272897549 464695027 /nfs/dbraw/zinc/69/50/27/464695027.db2.gz CDSFAPCCTRYUGB-ZDUSSCGKSA-N 1 2 346.387 2.379 40 0 EEABLO Cn1cccc1C(=O)NC[C@H]1CCC2(C[NH+](Cc3ccco3)C2)OC1 ZINC000248096005 464730031 /nfs/dbraw/zinc/73/00/31/464730031.db2.gz CZRNJMBRKQGYJN-OAHLLOKOSA-N 1 2 343.427 2.029 40 0 EEABLO