smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1cc(C[N@@H+](C)CC(C)(C)C)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759905 343374565 /nfs/dbraw/zinc/37/45/65/343374565.db2.gz HRVWKINMYXARQC-CYBMUJFWSA-N 2 1 291.443 2.421 40 0 CEABMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)oc1C ZINC000096184321 344238951 /nfs/dbraw/zinc/23/89/51/344238951.db2.gz ZLYZXPRVYQGAES-SJORKVTESA-N 2 1 291.439 2.107 40 0 CEABMP CC(C)N(CC[NH3+])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393610 363593455 /nfs/dbraw/zinc/59/34/55/363593455.db2.gz SAWPHPUERYZSGJ-QGZVFWFLSA-N 2 1 275.440 2.178 40 0 CEABMP [NH3+]CCN(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079393634 363594397 /nfs/dbraw/zinc/59/43/97/363594397.db2.gz HAKFPHGKIMXNGL-KRWDZBQOSA-N 2 1 273.424 2.074 40 0 CEABMP [NH3+]CCN1CCC[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079414716 363597573 /nfs/dbraw/zinc/59/75/73/363597573.db2.gz INURNTJCCXSPAP-QGZVFWFLSA-N 2 1 273.424 2.074 40 0 CEABMP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000026439652 361640302 /nfs/dbraw/zinc/64/03/02/361640302.db2.gz HXTWJHKANGPBIS-XHSDSOJGSA-N 2 1 297.487 2.201 40 0 CEABMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000331917781 204292748 /nfs/dbraw/zinc/29/27/48/204292748.db2.gz ZEDXVUZMEHPKJQ-UHFFFAOYSA-N 2 1 287.407 2.104 40 0 CEABMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+](C)C1 ZINC000260559664 371636967 /nfs/dbraw/zinc/63/69/67/371636967.db2.gz HHRJHJBCZLZZHN-JKSUJKDBSA-N 2 1 295.471 2.099 40 0 CEABMP CC[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000260559664 371636979 /nfs/dbraw/zinc/63/69/79/371636979.db2.gz HHRJHJBCZLZZHN-JKSUJKDBSA-N 2 1 295.471 2.099 40 0 CEABMP CC[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000260559664 371636989 /nfs/dbraw/zinc/63/69/89/371636989.db2.gz HHRJHJBCZLZZHN-JKSUJKDBSA-N 2 1 295.471 2.099 40 0 CEABMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306127164 376541569 /nfs/dbraw/zinc/54/15/69/376541569.db2.gz FQEXPJCMXSFAKG-LBPRGKRZSA-N 2 1 266.410 2.091 40 0 CEABMP CNc1cc(C[N@@H+](C)CC(C)(C)C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759902 343374485 /nfs/dbraw/zinc/37/44/85/343374485.db2.gz HRVWKINMYXARQC-ZDUSSCGKSA-N 2 1 291.443 2.421 40 0 CEABMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216301 394593390 /nfs/dbraw/zinc/59/33/90/394593390.db2.gz KOWODQVRDHJNID-INIZCTEOSA-N 2 1 288.439 2.428 40 0 CEABMP [NH3+]CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079393643 363594430 /nfs/dbraw/zinc/59/44/30/363594430.db2.gz OTRYZBPMBSSDQZ-GOSISDBHSA-N 2 1 287.451 2.464 40 0 CEABMP c1coc(C[N@H+]2CC[C@]3(C2)C[C@@H]([NH+]2CCCC2)CCO3)c1 ZINC000096206799 364410197 /nfs/dbraw/zinc/41/01/97/364410197.db2.gz GMGLZJRYAMFBOY-DOTOQJQBSA-N 2 1 290.407 2.499 40 0 CEABMP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccc(F)cc1)C2 ZINC000096218891 364413394 /nfs/dbraw/zinc/41/33/94/364413394.db2.gz YKSHZSBFCPEVME-NVXWUHKLSA-N 2 1 292.398 2.226 40 0 CEABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccc(F)cc1)C2 ZINC000096218891 364413396 /nfs/dbraw/zinc/41/33/96/364413396.db2.gz YKSHZSBFCPEVME-NVXWUHKLSA-N 2 1 292.398 2.226 40 0 CEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096218891 364413398 /nfs/dbraw/zinc/41/33/98/364413398.db2.gz YKSHZSBFCPEVME-NVXWUHKLSA-N 2 1 292.398 2.226 40 0 CEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096218891 364413400 /nfs/dbraw/zinc/41/34/00/364413400.db2.gz YKSHZSBFCPEVME-NVXWUHKLSA-N 2 1 292.398 2.226 40 0 CEABMP CC(C)C[N@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1 ZINC000096255854 364419042 /nfs/dbraw/zinc/41/90/42/364419042.db2.gz ZEIQSJXDYSJUKQ-UHFFFAOYSA-N 2 1 264.417 2.264 40 0 CEABMP CC(C)C[NH+]1CCc2c(C[N@H+](C)C(C)C)[nH]nc2C1 ZINC000096255854 364419049 /nfs/dbraw/zinc/41/90/49/364419049.db2.gz ZEIQSJXDYSJUKQ-UHFFFAOYSA-N 2 1 264.417 2.264 40 0 CEABMP CC(C)C[NH+]1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC000096255854 364419050 /nfs/dbraw/zinc/41/90/50/364419050.db2.gz ZEIQSJXDYSJUKQ-UHFFFAOYSA-N 2 1 264.417 2.264 40 0 CEABMP CCCC[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216348 394593545 /nfs/dbraw/zinc/59/35/45/394593545.db2.gz RFFDVMJXDRNCIN-INIZCTEOSA-N 2 1 288.439 2.428 40 0 CEABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072355667 176375148 /nfs/dbraw/zinc/37/51/48/176375148.db2.gz CMHJUKZFOODYNP-CYBMUJFWSA-N 2 1 256.353 2.385 40 0 CEABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072355667 176375150 /nfs/dbraw/zinc/37/51/50/176375150.db2.gz CMHJUKZFOODYNP-CYBMUJFWSA-N 2 1 256.353 2.385 40 0 CEABMP COCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096081396 185091741 /nfs/dbraw/zinc/09/17/41/185091741.db2.gz HLONYWFVFKSJIE-ZBFHGGJFSA-N 2 1 292.398 2.226 40 0 CEABMP COCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096081396 185091743 /nfs/dbraw/zinc/09/17/43/185091743.db2.gz HLONYWFVFKSJIE-ZBFHGGJFSA-N 2 1 292.398 2.226 40 0 CEABMP COCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096081396 185091745 /nfs/dbraw/zinc/09/17/45/185091745.db2.gz HLONYWFVFKSJIE-ZBFHGGJFSA-N 2 1 292.398 2.226 40 0 CEABMP COCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096081396 185091747 /nfs/dbraw/zinc/09/17/47/185091747.db2.gz HLONYWFVFKSJIE-ZBFHGGJFSA-N 2 1 292.398 2.226 40 0 CEABMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)o1 ZINC000306144515 376542503 /nfs/dbraw/zinc/54/25/03/376542503.db2.gz ZHKNFAFYHDIQJB-IAGOWNOFSA-N 2 1 291.439 2.052 40 0 CEABMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000242547641 285116498 /nfs/dbraw/zinc/11/64/98/285116498.db2.gz KPAXXWCZCDXQIN-QAQDUYKDSA-N 2 1 276.424 2.402 40 0 CEABMP Cc1[nH+]ccn1CCNc1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000072365342 176380475 /nfs/dbraw/zinc/38/04/75/176380475.db2.gz RHZSXONPDUSARO-HNNXBMFYSA-N 2 1 285.395 2.465 40 0 CEABMP Cc1[nH+]ccn1CCNc1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072365342 176380476 /nfs/dbraw/zinc/38/04/76/176380476.db2.gz RHZSXONPDUSARO-HNNXBMFYSA-N 2 1 285.395 2.465 40 0 CEABMP C[NH+](C)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000096056226 185077264 /nfs/dbraw/zinc/07/72/64/185077264.db2.gz KVCTUCLPDGLWPR-AEGPPILISA-N 2 1 280.437 2.147 40 0 CEABMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000096071776 185086424 /nfs/dbraw/zinc/08/64/24/185086424.db2.gz GKQZVNLCIDWJPX-UHFFFAOYSA-N 2 1 289.423 2.398 40 0 CEABMP CC(C)(C)OC(=O)[C@H]([NH3+])CCCCCCCC[NH3+] ZINC000090609428 344141109 /nfs/dbraw/zinc/14/11/09/344141109.db2.gz GTJINEZMHRTYOB-GFCCVEGCSA-N 2 1 258.406 2.345 40 0 CEABMP CCN(CC[NH3+])C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393598 363593726 /nfs/dbraw/zinc/59/37/26/363593726.db2.gz HTCUQFSULPUSQU-KRWDZBQOSA-N 2 1 275.440 2.179 40 0 CEABMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102669 367177274 /nfs/dbraw/zinc/17/72/74/367177274.db2.gz AMEZKKQMADBCRQ-AWEZNQCLSA-N 2 1 278.396 2.070 40 0 CEABMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178191 285116503 /nfs/dbraw/zinc/11/65/03/285116503.db2.gz KPAXXWCZCDXQIN-CALCHBBNSA-N 2 1 276.424 2.402 40 0 CEABMP CC(C)[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216303 394593150 /nfs/dbraw/zinc/59/31/50/394593150.db2.gz ADRUWRXIQFZWHP-INIZCTEOSA-N 2 1 288.439 2.427 40 0 CEABMP CC(C)[N@@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3ccco3)C[C@@H]2O1 ZINC000096056657 394676048 /nfs/dbraw/zinc/67/60/48/394676048.db2.gz SIBHYXQXPRBGCI-BMFZPTHFSA-N 2 1 278.396 2.209 40 0 CEABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2O1 ZINC000096056657 394676052 /nfs/dbraw/zinc/67/60/52/394676052.db2.gz SIBHYXQXPRBGCI-BMFZPTHFSA-N 2 1 278.396 2.209 40 0 CEABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2O1 ZINC000096056657 394676056 /nfs/dbraw/zinc/67/60/56/394676056.db2.gz SIBHYXQXPRBGCI-BMFZPTHFSA-N 2 1 278.396 2.209 40 0 CEABMP COCCNc1cccc(C[C@@H]2CCC[N@H+](C)CC2)[nH+]1 ZINC000072386649 176392086 /nfs/dbraw/zinc/39/20/86/176392086.db2.gz ADLQUAMUAZTTRI-CQSZACIVSA-N 2 1 277.412 2.414 40 0 CEABMP COCCNc1cccc(C[C@@H]2CCC[N@@H+](C)CC2)[nH+]1 ZINC000072386649 176392088 /nfs/dbraw/zinc/39/20/88/176392088.db2.gz ADLQUAMUAZTTRI-CQSZACIVSA-N 2 1 277.412 2.414 40 0 CEABMP OCC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000079393557 363594441 /nfs/dbraw/zinc/59/44/41/363594441.db2.gz VZLSRAIEMKZPHO-UHFFFAOYSA-N 2 1 288.435 2.355 40 0 CEABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1sccc1C)C2 ZINC000096219841 364413297 /nfs/dbraw/zinc/41/32/97/364413297.db2.gz JCWZMNMZPIKEIM-GDBMZVCRSA-N 2 1 294.464 2.457 40 0 CEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1sccc1C)C2 ZINC000096219841 364413299 /nfs/dbraw/zinc/41/32/99/364413299.db2.gz JCWZMNMZPIKEIM-GDBMZVCRSA-N 2 1 294.464 2.457 40 0 CEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1sccc1C)C2 ZINC000096219841 364413302 /nfs/dbraw/zinc/41/33/02/364413302.db2.gz JCWZMNMZPIKEIM-GDBMZVCRSA-N 2 1 294.464 2.457 40 0 CEABMP CCOc1cccc2c(N3CC[NH2+]CC3)cc(C)[nH+]c12 ZINC000225322019 370289553 /nfs/dbraw/zinc/28/95/53/370289553.db2.gz FJYLXBOZTOONDX-UHFFFAOYSA-N 2 1 271.364 2.352 40 0 CEABMP C[C@@H](O)C[NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000045221334 175330052 /nfs/dbraw/zinc/33/00/52/175330052.db2.gz RFNXDTUARRKJEQ-SNVBAGLBSA-N 2 1 279.771 2.271 40 0 CEABMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000013561972 520624761 /nfs/dbraw/zinc/62/47/61/520624761.db2.gz HNOIFNMTCSBWKU-OWCLPIDISA-N 2 1 297.487 2.486 40 0 CEABMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102674 367178962 /nfs/dbraw/zinc/17/89/62/367178962.db2.gz AMEZKKQMADBCRQ-CQSZACIVSA-N 2 1 278.396 2.070 40 0 CEABMP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096249000 256834419 /nfs/dbraw/zinc/83/44/19/256834419.db2.gz JZDYGJKRBMXZKM-GVDBMIGSSA-N 2 1 273.424 2.491 40 0 CEABMP CC(C)[N@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216522 394593735 /nfs/dbraw/zinc/59/37/35/394593735.db2.gz DBJFHLGKXOWNFC-INIZCTEOSA-N 2 1 288.439 2.379 40 0 CEABMP c1coc(C[NH+]2C[C@H]3CC[N@H+](CC4CC4)C[C@H]3C2)c1 ZINC000096054128 185076164 /nfs/dbraw/zinc/07/61/64/185076164.db2.gz NZWQMPOAODMOMW-CABCVRRESA-N 2 1 260.381 2.443 40 0 CEABMP c1coc(C[N@H+]2C[C@H]3CC[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096054128 185076165 /nfs/dbraw/zinc/07/61/65/185076165.db2.gz NZWQMPOAODMOMW-CABCVRRESA-N 2 1 260.381 2.443 40 0 CEABMP c1coc(C[N@@H+]2C[C@H]3CC[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096054128 185076166 /nfs/dbraw/zinc/07/61/66/185076166.db2.gz NZWQMPOAODMOMW-CABCVRRESA-N 2 1 260.381 2.443 40 0 CEABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](C)CC2 ZINC000585103824 345005633 /nfs/dbraw/zinc/00/56/33/345005633.db2.gz RUTODROLPLTOAR-AWEZNQCLSA-N 2 1 278.396 2.070 40 0 CEABMP CC[N@@H+](CCN)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393601 363594137 /nfs/dbraw/zinc/59/41/37/363594137.db2.gz GMMNPZIXHZWVKN-UHFFFAOYSA-N 2 1 275.440 2.179 40 0 CEABMP CCN(CC[NH3+])CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393601 363594140 /nfs/dbraw/zinc/59/41/40/363594140.db2.gz GMMNPZIXHZWVKN-UHFFFAOYSA-N 2 1 275.440 2.179 40 0 CEABMP CC[N@H+](Cc1ccccc1)CC1CCN(CC[NH3+])CC1 ZINC000079414623 363597557 /nfs/dbraw/zinc/59/75/57/363597557.db2.gz ZPRVFPIJDMMUSH-UHFFFAOYSA-N 2 1 275.440 2.179 40 0 CEABMP Cc1[nH+]ccn1-c1cc(C)nc(C2CC[NH2+]CC2)c1 ZINC000257281839 190025936 /nfs/dbraw/zinc/02/59/36/190025936.db2.gz ORFCRLONXUUPOS-UHFFFAOYSA-N 2 1 256.353 2.351 40 0 CEABMP C[NH2+]CCCNc1cc[nH+]c2c(OC)ccc(OC)c12 ZINC000222682431 529971837 /nfs/dbraw/zinc/97/18/37/529971837.db2.gz HJWRZJFJRNWBQN-UHFFFAOYSA-N 2 1 275.352 2.273 40 0 CEABMP CC[N@@H+](CCO)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393521 363594165 /nfs/dbraw/zinc/59/41/65/363594165.db2.gz ZVSZHLVJFNUOCP-UHFFFAOYSA-N 2 1 276.424 2.213 40 0 CEABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCN(CC[NH3+])C1 ZINC000079414662 363597581 /nfs/dbraw/zinc/59/75/81/363597581.db2.gz PDZUPCVZVJKDPZ-KRWDZBQOSA-N 2 1 275.440 2.320 40 0 CEABMP [NH3+]CCN1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414766 363597702 /nfs/dbraw/zinc/59/77/02/363597702.db2.gz PJWRPWALOYQVRU-KRWDZBQOSA-N 2 1 287.451 2.322 40 0 CEABMP C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CC[NH+]1CCCCC1)C2 ZINC000000198767 361144211 /nfs/dbraw/zinc/14/42/11/361144211.db2.gz UKBAYHIDBOWPPK-YIONKMFJSA-N 2 1 280.412 2.031 40 0 CEABMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)oc1C ZINC000096184322 364406826 /nfs/dbraw/zinc/40/68/26/364406826.db2.gz ZLYZXPRVYQGAES-IRXDYDNUSA-N 2 1 291.439 2.107 40 0 CEABMP Cc1c[nH]c([C@@H]2CCCN(c3ccnc(C)n3)C2)[nH+]1 ZINC000257262614 371610174 /nfs/dbraw/zinc/61/01/74/371610174.db2.gz LMCKNAUMFGYMNF-GFCCVEGCSA-N 2 1 257.341 2.201 40 0 CEABMP CCCn1cc(C[NH2+]CCC[NH+](CC)CC)c(C)n1 ZINC000256051222 190003516 /nfs/dbraw/zinc/00/35/16/190003516.db2.gz IGRLBWVGASYFGY-UHFFFAOYSA-N 2 1 266.433 2.423 40 0 CEABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)c1 ZINC000257217219 190014032 /nfs/dbraw/zinc/01/40/32/190014032.db2.gz CYBRFAPCIWITOP-CQSZACIVSA-N 2 1 285.395 2.155 40 0 CEABMP CC(C)[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216342 394593313 /nfs/dbraw/zinc/59/33/13/394593313.db2.gz HALIMDBSNZYMLH-HNNXBMFYSA-N 2 1 274.412 2.037 40 0 CEABMP CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216362 394593519 /nfs/dbraw/zinc/59/35/19/394593519.db2.gz BQXACZFROBBEAK-MRXNPFEDSA-N 2 1 288.439 2.427 40 0 CEABMP NCC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000079393649 394631294 /nfs/dbraw/zinc/63/12/94/394631294.db2.gz CSGPIJXUCFOFSD-UHFFFAOYSA-N 2 1 287.451 2.322 40 0 CEABMP [NH3+]CCN(CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000079393649 394631296 /nfs/dbraw/zinc/63/12/96/394631296.db2.gz CSGPIJXUCFOFSD-UHFFFAOYSA-N 2 1 287.451 2.322 40 0 CEABMP C[NH+](C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3cccs3)CC[C@@H]12 ZINC000096056199 185078158 /nfs/dbraw/zinc/07/81/58/185078158.db2.gz QYTLMNQSZFILOU-YUELXQCFSA-N 2 1 280.437 2.147 40 0 CEABMP CC[N@H+](CCO)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393520 363593747 /nfs/dbraw/zinc/59/37/47/363593747.db2.gz GBGJOVWOEAVFAF-QGZVFWFLSA-N 2 1 276.424 2.213 40 0 CEABMP CC[N@@H+](CCO)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393520 363593751 /nfs/dbraw/zinc/59/37/51/363593751.db2.gz GBGJOVWOEAVFAF-QGZVFWFLSA-N 2 1 276.424 2.213 40 0 CEABMP CC[NH+](CCO)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393520 363593757 /nfs/dbraw/zinc/59/37/57/363593757.db2.gz GBGJOVWOEAVFAF-QGZVFWFLSA-N 2 1 276.424 2.213 40 0 CEABMP CC[NH+](CCO)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393520 363593761 /nfs/dbraw/zinc/59/37/61/363593761.db2.gz GBGJOVWOEAVFAF-QGZVFWFLSA-N 2 1 276.424 2.213 40 0 CEABMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@H]2CCC[N@@H+]3CCC[C@H]1[C@H]23 ZINC000106536552 364705463 /nfs/dbraw/zinc/70/54/63/364705463.db2.gz OWCMWMIGCIAINN-AIANPOQGSA-N 2 1 294.439 2.182 40 0 CEABMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@H]2CCC[N@H+]3CCC[C@H]1[C@H]23 ZINC000106536552 364705468 /nfs/dbraw/zinc/70/54/68/364705468.db2.gz OWCMWMIGCIAINN-AIANPOQGSA-N 2 1 294.439 2.182 40 0 CEABMP Cc1ccc(Nc2cc(N3CC[NH2+]CC3)nc(C)[nH+]2)cc1 ZINC000217508435 370196192 /nfs/dbraw/zinc/19/61/92/370196192.db2.gz POKXNDLZWPEIQE-UHFFFAOYSA-N 2 1 283.379 2.247 40 0 CEABMP Cc1cccc(N2CCC[C@@H](N(C)Cc3cnccn3)C2)n1 ZINC000257283741 371611558 /nfs/dbraw/zinc/61/15/58/371611558.db2.gz OZRQOWPLUUNGFS-MRXNPFEDSA-N 2 1 297.406 2.281 40 0 CEABMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)o1 ZINC000306144514 376542571 /nfs/dbraw/zinc/54/25/71/376542571.db2.gz ZHKNFAFYHDIQJB-DLBZAZTESA-N 2 1 291.439 2.052 40 0 CEABMP C[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccc(Br)cc2)C1 ZINC000225607381 394469171 /nfs/dbraw/zinc/46/91/71/394469171.db2.gz GDNNHXYGJATDLO-ZYHUDNBSSA-N 2 1 269.186 2.053 40 0 CEABMP CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216581 394593103 /nfs/dbraw/zinc/59/31/03/394593103.db2.gz URPAHDFOTZAADV-MRXNPFEDSA-N 2 1 288.439 2.379 40 0 CEABMP CC[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCC[NH+](C)C)C2 ZINC000096089830 281213648 /nfs/dbraw/zinc/21/36/48/281213648.db2.gz YVLONVXWSIRREV-HUUCEWRRSA-N 2 1 254.418 2.219 40 0 CEABMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)CC1 ZINC000257279207 190025658 /nfs/dbraw/zinc/02/56/58/190025658.db2.gz OFNJQCAGCXYEDY-AWEZNQCLSA-N 2 1 276.428 2.149 40 0 CEABMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)CC1 ZINC000257279207 190025659 /nfs/dbraw/zinc/02/56/59/190025659.db2.gz OFNJQCAGCXYEDY-AWEZNQCLSA-N 2 1 276.428 2.149 40 0 CEABMP CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216341 394593352 /nfs/dbraw/zinc/59/33/52/394593352.db2.gz HALIMDBSNZYMLH-OAHLLOKOSA-N 2 1 274.412 2.037 40 0 CEABMP OCC[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393555 363593819 /nfs/dbraw/zinc/59/38/19/363593819.db2.gz CXELYOQSQLGQQG-QGZVFWFLSA-N 2 1 288.435 2.355 40 0 CEABMP OCC[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393555 363593822 /nfs/dbraw/zinc/59/38/22/363593822.db2.gz CXELYOQSQLGQQG-QGZVFWFLSA-N 2 1 288.435 2.355 40 0 CEABMP OCC[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393555 363593825 /nfs/dbraw/zinc/59/38/25/363593825.db2.gz CXELYOQSQLGQQG-QGZVFWFLSA-N 2 1 288.435 2.355 40 0 CEABMP CC(C)N(CC[NH3+])C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393609 363594690 /nfs/dbraw/zinc/59/46/90/363594690.db2.gz CIRGXAUYDVEXDX-QGZVFWFLSA-N 2 1 275.440 2.320 40 0 CEABMP CC[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCO)CC1 ZINC000079414236 363597145 /nfs/dbraw/zinc/59/71/45/363597145.db2.gz KPAXXWCZCDXQIN-UHFFFAOYSA-N 2 1 276.424 2.402 40 0 CEABMP [NH3+]CCN1CCC[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079414713 363597522 /nfs/dbraw/zinc/59/75/22/363597522.db2.gz INURNTJCCXSPAP-KRWDZBQOSA-N 2 1 273.424 2.074 40 0 CEABMP CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+](C)C1 ZINC000260559657 371637208 /nfs/dbraw/zinc/63/72/08/371637208.db2.gz HHRJHJBCZLZZHN-HOTGVXAUSA-N 2 1 295.471 2.099 40 0 CEABMP CC[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000260559657 371637218 /nfs/dbraw/zinc/63/72/18/371637218.db2.gz HHRJHJBCZLZZHN-HOTGVXAUSA-N 2 1 295.471 2.099 40 0 CEABMP CC[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000260559657 371637223 /nfs/dbraw/zinc/63/72/23/371637223.db2.gz HHRJHJBCZLZZHN-HOTGVXAUSA-N 2 1 295.471 2.099 40 0 CEABMP CCCC[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216287 394593446 /nfs/dbraw/zinc/59/34/46/394593446.db2.gz IKEUFFKNIYBQAR-MRXNPFEDSA-N 2 1 288.439 2.428 40 0 CEABMP [NH3+]CCCC[C@@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000085397138 179049760 /nfs/dbraw/zinc/04/97/60/179049760.db2.gz OVGWVLLZWALSRM-SECBINFHSA-N 2 1 297.200 2.454 40 0 CEABMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000107795646 186192070 /nfs/dbraw/zinc/19/20/70/186192070.db2.gz HJPXDVCQFIJSMF-OLZOCXBDSA-N 2 1 254.374 2.272 40 0 CEABMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000107795646 186192073 /nfs/dbraw/zinc/19/20/73/186192073.db2.gz HJPXDVCQFIJSMF-OLZOCXBDSA-N 2 1 254.374 2.272 40 0 CEABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3cnn(C)c3C)C2)c1 ZINC000257256952 190021940 /nfs/dbraw/zinc/02/19/40/190021940.db2.gz KNNCHKCZQXOZGN-CQSZACIVSA-N 2 1 299.422 2.463 40 0 CEABMP CC(C)[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216281 394593431 /nfs/dbraw/zinc/59/34/31/394593431.db2.gz MRUDVNYGQPJHRU-OAHLLOKOSA-N 2 1 274.412 2.037 40 0 CEABMP CC[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216599 394593584 /nfs/dbraw/zinc/59/35/84/394593584.db2.gz HNVBLAOTGGDUMO-INIZCTEOSA-N 2 1 288.439 2.380 40 0 CEABMP COCCNc1cccc(C[C@H]2CCC[N@H+](C)CC2)[nH+]1 ZINC000072386648 176392349 /nfs/dbraw/zinc/39/23/49/176392349.db2.gz ADLQUAMUAZTTRI-AWEZNQCLSA-N 2 1 277.412 2.414 40 0 CEABMP COCCNc1cccc(C[C@H]2CCC[N@@H+](C)CC2)[nH+]1 ZINC000072386648 176392351 /nfs/dbraw/zinc/39/23/51/176392351.db2.gz ADLQUAMUAZTTRI-AWEZNQCLSA-N 2 1 277.412 2.414 40 0 CEABMP C[NH+](C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]12 ZINC000096056201 185078130 /nfs/dbraw/zinc/07/81/30/185078130.db2.gz GQYAOYJVISIDGV-KFWWJZLASA-N 2 1 280.437 2.147 40 0 CEABMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCN(CC[NH3+])C1 ZINC000079414648 363596813 /nfs/dbraw/zinc/59/68/13/363596813.db2.gz SNZGINFJOQZXQL-QGZVFWFLSA-N 2 1 275.440 2.178 40 0 CEABMP CCC[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216344 394593510 /nfs/dbraw/zinc/59/35/10/394593510.db2.gz HHSSWPDPHWKBOT-HNNXBMFYSA-N 2 1 274.412 2.038 40 0 CEABMP CC(C)C[N@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216286 394593718 /nfs/dbraw/zinc/59/37/18/394593718.db2.gz PBTFXAXBUIHEFT-INIZCTEOSA-N 2 1 288.439 2.284 40 0 CEABMP CC(C)[N@@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3ccncc3)C[C@@H]2O1 ZINC000096100363 185098068 /nfs/dbraw/zinc/09/80/68/185098068.db2.gz AHGDRSMYOQUJSC-ZACQAIPSSA-N 2 1 289.423 2.011 40 0 CEABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2O1 ZINC000096100363 185098070 /nfs/dbraw/zinc/09/80/70/185098070.db2.gz AHGDRSMYOQUJSC-ZACQAIPSSA-N 2 1 289.423 2.011 40 0 CEABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2O1 ZINC000096100363 185098071 /nfs/dbraw/zinc/09/80/71/185098071.db2.gz AHGDRSMYOQUJSC-ZACQAIPSSA-N 2 1 289.423 2.011 40 0 CEABMP [NH3+]CCN(C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079393633 363593799 /nfs/dbraw/zinc/59/37/99/363593799.db2.gz HAKFPHGKIMXNGL-QGZVFWFLSA-N 2 1 273.424 2.074 40 0 CEABMP CC[N@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096216599 364412271 /nfs/dbraw/zinc/41/22/71/364412271.db2.gz FTNDXSLTRILPGJ-QZTJIDSGSA-N 2 1 288.435 2.477 40 0 CEABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096216599 364412276 /nfs/dbraw/zinc/41/22/76/364412276.db2.gz FTNDXSLTRILPGJ-QZTJIDSGSA-N 2 1 288.435 2.477 40 0 CEABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096216599 364412282 /nfs/dbraw/zinc/41/22/82/364412282.db2.gz FTNDXSLTRILPGJ-QZTJIDSGSA-N 2 1 288.435 2.477 40 0 CEABMP COc1ccc(OC)c2c(NCCC[NH3+])cc[nH+]c12 ZINC000222682336 532995319 /nfs/dbraw/zinc/99/53/19/532995319.db2.gz VDBKTVZQDDXBKM-UHFFFAOYSA-N 2 1 261.325 2.013 40 0 CEABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCN(CC[NH3+])C1 ZINC000079414652 394631712 /nfs/dbraw/zinc/63/17/12/394631712.db2.gz SNZGINFJOQZXQL-KRWDZBQOSA-N 2 1 275.440 2.178 40 0 CEABMP [NH3+]CCN1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414761 363597512 /nfs/dbraw/zinc/59/75/12/363597512.db2.gz PJWRPWALOYQVRU-QGZVFWFLSA-N 2 1 287.451 2.322 40 0 CEABMP CCOC(=[NH2+])c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000089212571 363950044 /nfs/dbraw/zinc/95/00/44/363950044.db2.gz QTRYTQBOQQEMAJ-UHFFFAOYSA-N 2 1 262.353 2.005 40 0 CEABMP CC[NH+]1CCC(N2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000257268129 190023681 /nfs/dbraw/zinc/02/36/81/190023681.db2.gz MKJDQVWEDPSGTG-SFHVURJKSA-N 2 1 287.451 2.459 40 0 CEABMP CCCC[N@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216288 394593086 /nfs/dbraw/zinc/59/30/86/394593086.db2.gz IKEUFFKNIYBQAR-INIZCTEOSA-N 2 1 288.439 2.428 40 0 CEABMP CCC[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216361 394593630 /nfs/dbraw/zinc/59/36/30/394593630.db2.gz LHGHYJUMRXLMSV-INIZCTEOSA-N 2 1 288.439 2.428 40 0 CEABMP C[N@@H+]1C[C@H](C[NH+]2CCCCC2)[C@H](O)[C@H](c2ccccc2)C1 ZINC000005699164 170130302 /nfs/dbraw/zinc/13/03/02/170130302.db2.gz WMHNFSXEDPVRNU-SQNIBIBYSA-N 2 1 288.435 2.179 40 0 CEABMP C[N@H+]1C[C@H](C[NH+]2CCCCC2)[C@H](O)[C@H](c2ccccc2)C1 ZINC000005699164 170130304 /nfs/dbraw/zinc/13/03/04/170130304.db2.gz WMHNFSXEDPVRNU-SQNIBIBYSA-N 2 1 288.435 2.179 40 0 CEABMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)CC1 ZINC000257214803 190012889 /nfs/dbraw/zinc/01/28/89/190012889.db2.gz CNMAHDHURPIVAA-CQSZACIVSA-N 2 1 276.428 2.382 40 0 CEABMP CC[NH+]1CCC([N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)CC1 ZINC000257214803 190012890 /nfs/dbraw/zinc/01/28/90/190012890.db2.gz CNMAHDHURPIVAA-CQSZACIVSA-N 2 1 276.428 2.382 40 0 CEABMP CCC[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216343 394592718 /nfs/dbraw/zinc/59/27/18/394592718.db2.gz HHSSWPDPHWKBOT-OAHLLOKOSA-N 2 1 274.412 2.038 40 0 CEABMP CC(C)[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216521 394593065 /nfs/dbraw/zinc/59/30/65/394593065.db2.gz DBJFHLGKXOWNFC-MRXNPFEDSA-N 2 1 288.439 2.379 40 0 CEABMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216300 394593401 /nfs/dbraw/zinc/59/34/01/394593401.db2.gz KOWODQVRDHJNID-MRXNPFEDSA-N 2 1 288.439 2.428 40 0 CEABMP CC[NH+](CC)CC[C@H]1Cn2nccc2C[N@@H+](CC2CC2)C1 ZINC000248278478 276329393 /nfs/dbraw/zinc/32/93/93/276329393.db2.gz ZTMGBISVDVQJKI-MRXNPFEDSA-N 2 1 290.455 2.457 40 0 CEABMP CCOC(=O)[C@@H](C[NH3+])[C@@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351502 344534902 /nfs/dbraw/zinc/53/49/02/344534902.db2.gz QGGWEHAGQMESEH-RMHZUWNSSA-N 2 1 296.455 2.271 40 0 CEABMP COC[C@@H]1CC2(C[N@H+]1Cc1csc(C)n1)CC[NH2+]CC2 ZINC000096240354 364417152 /nfs/dbraw/zinc/41/71/52/364417152.db2.gz KUMAYTZUVCXBKJ-AWEZNQCLSA-N 2 1 295.452 2.042 40 0 CEABMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](C3CC3)[C@@H]2C1 ZINC000409427702 375524208 /nfs/dbraw/zinc/52/42/08/375524208.db2.gz BUHGYPQOLLDKKM-ZACQAIPSSA-N 2 1 256.393 2.459 40 0 CEABMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](C3CC3)[C@@H]2C1 ZINC000409427702 375524212 /nfs/dbraw/zinc/52/42/12/375524212.db2.gz BUHGYPQOLLDKKM-ZACQAIPSSA-N 2 1 256.393 2.459 40 0 CEABMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](C3CC3)[C@@H]2C1 ZINC000409427702 375524215 /nfs/dbraw/zinc/52/42/15/375524215.db2.gz BUHGYPQOLLDKKM-ZACQAIPSSA-N 2 1 256.393 2.459 40 0 CEABMP CC(C)[N@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216282 394592948 /nfs/dbraw/zinc/59/29/48/394592948.db2.gz MRUDVNYGQPJHRU-HNNXBMFYSA-N 2 1 274.412 2.037 40 0 CEABMP COCC[N@@H+]1CCC[C@@H]1c1cc(N(C)C)cc(C)[nH+]1 ZINC000072380954 394598782 /nfs/dbraw/zinc/59/87/82/394598782.db2.gz FXLGHEDLJMVYNN-OAHLLOKOSA-N 2 1 263.385 2.239 40 0 CEABMP COCC[N@H+]1CCC[C@@H]1c1cc(N(C)C)cc(C)[nH+]1 ZINC000072380954 394598787 /nfs/dbraw/zinc/59/87/87/394598787.db2.gz FXLGHEDLJMVYNN-OAHLLOKOSA-N 2 1 263.385 2.239 40 0 CEABMP Clc1ccccc1C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531568 394698018 /nfs/dbraw/zinc/69/80/18/394698018.db2.gz RQNNXVSQWTZIJJ-UHFFFAOYSA-N 2 1 280.799 2.294 40 0 CEABMP Clc1ccccc1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531568 394698020 /nfs/dbraw/zinc/69/80/20/394698020.db2.gz RQNNXVSQWTZIJJ-UHFFFAOYSA-N 2 1 280.799 2.294 40 0 CEABMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@H]2CCC[N@@H+]3CCC[C@H]1[C@@H]23 ZINC000106536550 394725597 /nfs/dbraw/zinc/72/55/97/394725597.db2.gz OWCMWMIGCIAINN-PNBKFKSVSA-N 2 1 294.439 2.182 40 0 CEABMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@H]2CCC[N@H+]3CCC[C@H]1[C@@H]23 ZINC000106536550 394725600 /nfs/dbraw/zinc/72/56/00/394725600.db2.gz OWCMWMIGCIAINN-PNBKFKSVSA-N 2 1 294.439 2.182 40 0 CEABMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCCCCCC[NH3+] ZINC000090609429 344141168 /nfs/dbraw/zinc/14/11/68/344141168.db2.gz GTJINEZMHRTYOB-LBPRGKRZSA-N 2 1 258.406 2.345 40 0 CEABMP COc1ncccc1C[N@H+]1C[C@@H]2C[NH+](C(C)C)CC[C@@H]2C1 ZINC000096246083 364417268 /nfs/dbraw/zinc/41/72/68/364417268.db2.gz IHHZVKZFKKBQFJ-GDBMZVCRSA-N 2 1 289.423 2.252 40 0 CEABMP COc1ncccc1C[N@@H+]1C[C@@H]2C[NH+](C(C)C)CC[C@@H]2C1 ZINC000096246083 364417270 /nfs/dbraw/zinc/41/72/70/364417270.db2.gz IHHZVKZFKKBQFJ-GDBMZVCRSA-N 2 1 289.423 2.252 40 0 CEABMP COc1ncccc1C[NH+]1C[C@@H]2C[N@H+](C(C)C)CC[C@@H]2C1 ZINC000096246083 364417272 /nfs/dbraw/zinc/41/72/72/364417272.db2.gz IHHZVKZFKKBQFJ-GDBMZVCRSA-N 2 1 289.423 2.252 40 0 CEABMP COc1ncccc1C[NH+]1C[C@@H]2C[N@@H+](C(C)C)CC[C@@H]2C1 ZINC000096246083 364417274 /nfs/dbraw/zinc/41/72/74/364417274.db2.gz IHHZVKZFKKBQFJ-GDBMZVCRSA-N 2 1 289.423 2.252 40 0 CEABMP CC[NH+](CC)CC[C@@H]1Cn2nccc2C[N@@H+](CC2CC2)C1 ZINC000248278476 371172616 /nfs/dbraw/zinc/17/26/16/371172616.db2.gz ZTMGBISVDVQJKI-INIZCTEOSA-N 2 1 290.455 2.457 40 0 CEABMP CC[NH+]1CCC([N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)CC1 ZINC000257214802 190013246 /nfs/dbraw/zinc/01/32/46/190013246.db2.gz CNMAHDHURPIVAA-AWEZNQCLSA-N 2 1 276.428 2.382 40 0 CEABMP CC[NH+]1CCC([N@H+]2CCC[C@H](c3n[nH]cc3C)C2)CC1 ZINC000257214802 190013247 /nfs/dbraw/zinc/01/32/47/190013247.db2.gz CNMAHDHURPIVAA-AWEZNQCLSA-N 2 1 276.428 2.382 40 0 CEABMP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3cncn3C)C2)c1 ZINC000257271532 190023832 /nfs/dbraw/zinc/02/38/32/190023832.db2.gz MYRNTEVPBFDTBB-ZDUSSCGKSA-N 2 1 285.395 2.155 40 0 CEABMP c1ccc(COC[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC000095908687 185031151 /nfs/dbraw/zinc/03/11/51/185031151.db2.gz DQUKACLVCXNZAL-QGZVFWFLSA-N 2 1 274.408 2.420 40 0 CEABMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CC[NH+](CC1CC1)C2 ZINC000096084098 185092554 /nfs/dbraw/zinc/09/25/54/185092554.db2.gz HLUYRKGXJJWRJZ-UHFFFAOYSA-N 2 1 262.401 2.018 40 0 CEABMP CC(C)[NH+](C)Cc1[nH]nc2c1CC[N@H+](CC1CC1)C2 ZINC000096084098 185092555 /nfs/dbraw/zinc/09/25/55/185092555.db2.gz HLUYRKGXJJWRJZ-UHFFFAOYSA-N 2 1 262.401 2.018 40 0 CEABMP CC(C)[NH+](C)Cc1[nH]nc2c1CC[N@@H+](CC1CC1)C2 ZINC000096084098 185092556 /nfs/dbraw/zinc/09/25/56/185092556.db2.gz HLUYRKGXJJWRJZ-UHFFFAOYSA-N 2 1 262.401 2.018 40 0 CEABMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000057467091 362581642 /nfs/dbraw/zinc/58/16/42/362581642.db2.gz HXTWJHKANGPBIS-HRCADAONSA-N 2 1 297.487 2.201 40 0 CEABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)c1 ZINC000257333508 190035273 /nfs/dbraw/zinc/03/52/73/190035273.db2.gz YBVXOPFHYGEFQW-CYBMUJFWSA-N 2 1 285.395 2.155 40 0 CEABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)c1 ZINC000257333508 190035274 /nfs/dbraw/zinc/03/52/74/190035274.db2.gz YBVXOPFHYGEFQW-CYBMUJFWSA-N 2 1 285.395 2.155 40 0 CEABMP CCOC(=O)[C@@H](C[NH3+])C1([NH+]2CCCCC2)CCCCC1 ZINC000072210452 394592378 /nfs/dbraw/zinc/59/23/78/394592378.db2.gz LCNOFJITDOPTRI-CQSZACIVSA-N 2 1 282.428 2.313 40 0 CEABMP Cc1[nH+]c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c2ccccn12 ZINC000072397556 176395005 /nfs/dbraw/zinc/39/50/05/176395005.db2.gz IFBMKCAVZBSSAN-HIFRSBDPSA-N 2 1 284.407 2.311 40 0 CEABMP CC(C)N(CC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393614 363593960 /nfs/dbraw/zinc/59/39/60/363593960.db2.gz XEXGBFRXQGVNIW-QGZVFWFLSA-N 2 1 275.440 2.320 40 0 CEABMP C[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1ccccc1)CC2 ZINC000096196782 364408832 /nfs/dbraw/zinc/40/88/32/364408832.db2.gz SLRBEJREWZWKGP-UHFFFAOYSA-N 2 1 284.407 2.003 40 0 CEABMP C[NH+](C)Cc1cnc2n1CC[N@H+](Cc1ccccc1)CC2 ZINC000096196782 364408836 /nfs/dbraw/zinc/40/88/36/364408836.db2.gz SLRBEJREWZWKGP-UHFFFAOYSA-N 2 1 284.407 2.003 40 0 CEABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccc(C)s1)C2 ZINC000096218076 364412222 /nfs/dbraw/zinc/41/22/22/364412222.db2.gz NCAOHZAKRYPZIM-GDBMZVCRSA-N 2 1 294.464 2.457 40 0 CEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096218076 364412231 /nfs/dbraw/zinc/41/22/31/364412231.db2.gz NCAOHZAKRYPZIM-GDBMZVCRSA-N 2 1 294.464 2.457 40 0 CEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096218076 364412239 /nfs/dbraw/zinc/41/22/39/364412239.db2.gz NCAOHZAKRYPZIM-GDBMZVCRSA-N 2 1 294.464 2.457 40 0 CEABMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C[NH+](C)C)cc1 ZINC000072324585 300315669 /nfs/dbraw/zinc/31/56/69/300315669.db2.gz VSNBXFAVCMPSEF-MAUKXSAKSA-N 2 1 287.451 2.417 40 0 CEABMP Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+](C)C)[C@H]3C2)s1 ZINC000096056229 185077140 /nfs/dbraw/zinc/07/71/40/185077140.db2.gz MWZQZVJRWHMJSV-CWRNSKLLSA-N 2 1 294.464 2.455 40 0 CEABMP C[NH+](C)Cc1cncc([C@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000257262425 190022687 /nfs/dbraw/zinc/02/26/87/190022687.db2.gz LLIRCDJYKSUIDU-OAHLLOKOSA-N 2 1 260.385 2.085 40 0 CEABMP C[NH+](C)Cc1cncc([C@H]2CCC[N@H+]2CC2CC2)n1 ZINC000257262425 190022688 /nfs/dbraw/zinc/02/26/88/190022688.db2.gz LLIRCDJYKSUIDU-OAHLLOKOSA-N 2 1 260.385 2.085 40 0 CEABMP CCC[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216283 394593221 /nfs/dbraw/zinc/59/32/21/394593221.db2.gz WXENIWOWQNHOBP-OAHLLOKOSA-N 2 1 274.412 2.038 40 0 CEABMP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(C[NH+](C)C)cc1 ZINC000072324586 176369779 /nfs/dbraw/zinc/36/97/79/176369779.db2.gz VSNBXFAVCMPSEF-YJBOKZPZSA-N 2 1 287.451 2.417 40 0 CEABMP Cc1ccsc1C[N@@H+]1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000096108261 185099647 /nfs/dbraw/zinc/09/96/47/185099647.db2.gz FFAOMBLMPIOZMK-HIFRSBDPSA-N 2 1 280.437 2.067 40 0 CEABMP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CCO)C1 ZINC000079414271 363597622 /nfs/dbraw/zinc/59/76/22/363597622.db2.gz YXJXMEXEEPTZLI-QGZVFWFLSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CCO)C1 ZINC000079414271 363597625 /nfs/dbraw/zinc/59/76/25/363597625.db2.gz YXJXMEXEEPTZLI-QGZVFWFLSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](CCO)C1 ZINC000079414271 363597627 /nfs/dbraw/zinc/59/76/27/363597627.db2.gz YXJXMEXEEPTZLI-QGZVFWFLSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](CCO)C1 ZINC000079414271 363597630 /nfs/dbraw/zinc/59/76/30/363597630.db2.gz YXJXMEXEEPTZLI-QGZVFWFLSA-N 2 1 276.424 2.211 40 0 CEABMP C(OC[C@H]1CC2(C[N@H+]1CC1CC1)CC[NH2+]CC2)C1CC1 ZINC000096218497 364412783 /nfs/dbraw/zinc/41/27/83/364412783.db2.gz UZNRHYWSGYFVTI-MRXNPFEDSA-N 2 1 278.440 2.267 40 0 CEABMP Cc1c[nH]c([C@H]2CCCN(c3ccnc(C)n3)C2)[nH+]1 ZINC000257262615 371610883 /nfs/dbraw/zinc/61/08/83/371610883.db2.gz LMCKNAUMFGYMNF-LBPRGKRZSA-N 2 1 257.341 2.201 40 0 CEABMP C[NH+]1CCC([N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)CC1 ZINC000257210088 190012250 /nfs/dbraw/zinc/01/22/50/190012250.db2.gz BTCNHNCGMFUNGB-AWEZNQCLSA-N 2 1 299.422 2.232 40 0 CEABMP C[NH+]1CCC([N@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)CC1 ZINC000257210088 190012251 /nfs/dbraw/zinc/01/22/51/190012251.db2.gz BTCNHNCGMFUNGB-AWEZNQCLSA-N 2 1 299.422 2.232 40 0 CEABMP CC[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCC[NH+](C)C)C2 ZINC000096089833 394676854 /nfs/dbraw/zinc/67/68/54/394676854.db2.gz YVLONVXWSIRREV-GJZGRUSLSA-N 2 1 254.418 2.219 40 0 CEABMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C[NH+](C)C)cc1 ZINC000072324740 176369727 /nfs/dbraw/zinc/36/97/27/176369727.db2.gz VSNBXFAVCMPSEF-CRAIPNDOSA-N 2 1 287.451 2.417 40 0 CEABMP Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)s1 ZINC000096108240 185100388 /nfs/dbraw/zinc/10/03/88/185100388.db2.gz DNUKXWNPNLBKMY-HIFRSBDPSA-N 2 1 280.437 2.067 40 0 CEABMP Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)s1 ZINC000096108240 185100389 /nfs/dbraw/zinc/10/03/89/185100389.db2.gz DNUKXWNPNLBKMY-HIFRSBDPSA-N 2 1 280.437 2.067 40 0 CEABMP [NH3+][C@H](CC[C@@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608371 361211402 /nfs/dbraw/zinc/21/14/02/361211402.db2.gz NXDLNLVUCIDRBX-HZPDHXFCSA-N 2 1 296.370 2.187 40 0 CEABMP COc1cc(OC)c2[nH+]c(C)cc(NCCC[NH3+])c2c1 ZINC000222691157 370256660 /nfs/dbraw/zinc/25/66/60/370256660.db2.gz OZNVSULCTUUKLZ-UHFFFAOYSA-N 2 1 275.352 2.321 40 0 CEABMP CCOC(=O)[C@@H](C[NH3+])C1([NH+](CC)CC)CCCCC1 ZINC000072210447 394592226 /nfs/dbraw/zinc/59/22/26/394592226.db2.gz FUKUZUIIROTEPD-CYBMUJFWSA-N 2 1 270.417 2.169 40 0 CEABMP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000257228676 190016536 /nfs/dbraw/zinc/01/65/36/190016536.db2.gz FUVAHSUXRXKFDR-CQSZACIVSA-N 2 1 260.385 2.085 40 0 CEABMP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2CC2CC2)n1 ZINC000257228676 190016537 /nfs/dbraw/zinc/01/65/37/190016537.db2.gz FUVAHSUXRXKFDR-CQSZACIVSA-N 2 1 260.385 2.085 40 0 CEABMP COC[C@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH+](C)CC2 ZINC000096208101 256823612 /nfs/dbraw/zinc/82/36/12/256823612.db2.gz QJICPRANIYTPPV-MRXNPFEDSA-N 2 1 289.423 2.014 40 0 CEABMP C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(Cc3cnc[nH]3)CC[C@H]21 ZINC000257315175 394595397 /nfs/dbraw/zinc/59/53/97/394595397.db2.gz VAFMSOPWMWQPML-KZNAEPCWSA-N 2 1 296.418 2.329 40 0 CEABMP C[C@@H]1CCC[N@@H+]([C@H](CN)c2ccc3c(c2)CCO3)C1 ZINC000242547703 400315151 /nfs/dbraw/zinc/31/51/51/400315151.db2.gz KTBRIIPUKAOJDI-IUODEOHRSA-N 2 1 260.381 2.353 40 0 CEABMP C[C@@H]1CCC[N@H+]([C@H](CN)c2ccc3c(c2)CCO3)C1 ZINC000242547703 400315157 /nfs/dbraw/zinc/31/51/57/400315157.db2.gz KTBRIIPUKAOJDI-IUODEOHRSA-N 2 1 260.381 2.353 40 0 CEABMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000107196341 186162360 /nfs/dbraw/zinc/16/23/60/186162360.db2.gz MFMWQNLJODQSEO-KSZLIROESA-N 2 1 286.419 2.148 40 0 CEABMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000107196341 186162362 /nfs/dbraw/zinc/16/23/62/186162362.db2.gz MFMWQNLJODQSEO-KSZLIROESA-N 2 1 286.419 2.148 40 0 CEABMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000107196341 186162363 /nfs/dbraw/zinc/16/23/63/186162363.db2.gz MFMWQNLJODQSEO-KSZLIROESA-N 2 1 286.419 2.148 40 0 CEABMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000107196341 186162365 /nfs/dbraw/zinc/16/23/65/186162365.db2.gz MFMWQNLJODQSEO-KSZLIROESA-N 2 1 286.419 2.148 40 0 CEABMP [NH3+]CCN1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414740 363596533 /nfs/dbraw/zinc/59/65/33/363596533.db2.gz IHLPMILTHBNGBH-KRWDZBQOSA-N 2 1 273.424 2.074 40 0 CEABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414654 363596969 /nfs/dbraw/zinc/59/69/69/363596969.db2.gz PDZUPCVZVJKDPZ-QGZVFWFLSA-N 2 1 275.440 2.320 40 0 CEABMP CC(C)[N@@H+](Cc1ccccc1)C1CCN(CC[NH3+])CC1 ZINC000079414665 363597452 /nfs/dbraw/zinc/59/74/52/363597452.db2.gz AORPEBSUEODXFI-UHFFFAOYSA-N 2 1 275.440 2.320 40 0 CEABMP CCC[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216523 394593281 /nfs/dbraw/zinc/59/32/81/394593281.db2.gz FTZHLJLEEYBRPR-MRXNPFEDSA-N 2 1 288.439 2.380 40 0 CEABMP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000004969453 170046739 /nfs/dbraw/zinc/04/67/39/170046739.db2.gz HNOIFNMTCSBWKU-XHSDSOJGSA-N 2 1 297.487 2.486 40 0 CEABMP CCN(CC[NH3+])C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393599 177476542 /nfs/dbraw/zinc/47/65/42/177476542.db2.gz HTCUQFSULPUSQU-QGZVFWFLSA-N 2 1 275.440 2.179 40 0 CEABMP CC[NH+]1CCC(N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000257268128 276149828 /nfs/dbraw/zinc/14/98/28/276149828.db2.gz MKJDQVWEDPSGTG-GOSISDBHSA-N 2 1 287.451 2.459 40 0 CEABMP Cc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000096108257 185099911 /nfs/dbraw/zinc/09/99/11/185099911.db2.gz ALNIXLYDRDNKDZ-SJORKVTESA-N 2 1 274.408 2.005 40 0 CEABMP CC[N@@H+](CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052174680 362468185 /nfs/dbraw/zinc/46/81/85/362468185.db2.gz SDLRJFVWYNTGNQ-YIONKMFJSA-N 2 1 252.402 2.018 40 0 CEABMP [NH3+]CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079393644 363593715 /nfs/dbraw/zinc/59/37/15/363593715.db2.gz OTRYZBPMBSSDQZ-SFHVURJKSA-N 2 1 287.451 2.464 40 0 CEABMP CCSc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1 ZINC000001842837 361223899 /nfs/dbraw/zinc/22/38/99/361223899.db2.gz DMUVDTFGSCCPBP-UHFFFAOYSA-N 2 1 277.397 2.403 40 0 CEABMP [NH3+]CCNc1cc[nH+]c2ccc(Br)cc12 ZINC000019721358 361549238 /nfs/dbraw/zinc/54/92/38/361549238.db2.gz QXYOCLAYLAGTQQ-UHFFFAOYSA-N 2 1 266.142 2.368 40 0 CEABMP C[C@H](O)C[NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000045221330 175329888 /nfs/dbraw/zinc/32/98/88/175329888.db2.gz RFNXDTUARRKJEQ-JTQLQIEISA-N 2 1 279.771 2.271 40 0 CEABMP CCOC(=O)[C@H](C[NH3+])[C@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351456 344534909 /nfs/dbraw/zinc/53/49/09/344534909.db2.gz QGGWEHAGQMESEH-MGBSGCIJSA-N 2 1 296.455 2.271 40 0 CEABMP CC(C)N(CC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393616 363594174 /nfs/dbraw/zinc/59/41/74/363594174.db2.gz XEXGBFRXQGVNIW-KRWDZBQOSA-N 2 1 275.440 2.320 40 0 CEABMP CCC[N@@H+]1CO[C@H](OCC[NH+](CC)CC)C(C)(C)C1 ZINC000001568627 283353364 /nfs/dbraw/zinc/35/33/64/283353364.db2.gz BINFPLCQRWUIRA-AWEZNQCLSA-N 2 1 272.433 2.397 40 0 CEABMP CCC[N@H+]1CO[C@H](OCC[NH+](CC)CC)C(C)(C)C1 ZINC000001568627 283353367 /nfs/dbraw/zinc/35/33/67/283353367.db2.gz BINFPLCQRWUIRA-AWEZNQCLSA-N 2 1 272.433 2.397 40 0 CEABMP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000096216561 364413407 /nfs/dbraw/zinc/41/34/07/364413407.db2.gz UIEMNURGRVOCJH-DLBZAZTESA-N 2 1 274.408 2.087 40 0 CEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096216561 364413408 /nfs/dbraw/zinc/41/34/08/364413408.db2.gz UIEMNURGRVOCJH-DLBZAZTESA-N 2 1 274.408 2.087 40 0 CEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000096216561 364413409 /nfs/dbraw/zinc/41/34/09/364413409.db2.gz UIEMNURGRVOCJH-DLBZAZTESA-N 2 1 274.408 2.087 40 0 CEABMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](C3CC3)[C@H]2C1 ZINC000409427701 375524292 /nfs/dbraw/zinc/52/42/92/375524292.db2.gz BUHGYPQOLLDKKM-IXDOHACOSA-N 2 1 256.393 2.459 40 0 CEABMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@H](C3CC3)[C@H]2C1 ZINC000409427701 375524296 /nfs/dbraw/zinc/52/42/96/375524296.db2.gz BUHGYPQOLLDKKM-IXDOHACOSA-N 2 1 256.393 2.459 40 0 CEABMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@H](C3CC3)[C@H]2C1 ZINC000409427701 375524301 /nfs/dbraw/zinc/52/43/01/375524301.db2.gz BUHGYPQOLLDKKM-IXDOHACOSA-N 2 1 256.393 2.459 40 0 CEABMP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)C[C@H]([NH+](C)C)CCO2 ZINC000096216119 256824959 /nfs/dbraw/zinc/82/49/59/256824959.db2.gz FZZIWUBROJNZRO-UKRRQHHQSA-N 2 1 295.452 2.137 40 0 CEABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414614 177484269 /nfs/dbraw/zinc/48/42/69/177484269.db2.gz BZQNWWZCGVZTFA-KRWDZBQOSA-N 2 1 275.440 2.179 40 0 CEABMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCO)CC1 ZINC000079414150 363597593 /nfs/dbraw/zinc/59/75/93/363597593.db2.gz NAUMCYBEBRDWHH-UHFFFAOYSA-N 2 1 262.397 2.012 40 0 CEABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccccc1C)C2 ZINC000096220051 364414879 /nfs/dbraw/zinc/41/48/79/364414879.db2.gz ZWQIIRZOMQBFRO-QZTJIDSGSA-N 2 1 288.435 2.395 40 0 CEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccccc1C)C2 ZINC000096220051 364414886 /nfs/dbraw/zinc/41/48/86/364414886.db2.gz ZWQIIRZOMQBFRO-QZTJIDSGSA-N 2 1 288.435 2.395 40 0 CEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccccc1C)C2 ZINC000096220051 364414890 /nfs/dbraw/zinc/41/48/90/364414890.db2.gz ZWQIIRZOMQBFRO-QZTJIDSGSA-N 2 1 288.435 2.395 40 0 CEABMP Cc1cccc(N2CCC[C@H](N(C)Cc3cnccn3)C2)n1 ZINC000257283740 371610321 /nfs/dbraw/zinc/61/03/21/371610321.db2.gz OZRQOWPLUUNGFS-INIZCTEOSA-N 2 1 297.406 2.281 40 0 CEABMP [NH3+]CCCC[C@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000085397140 179050131 /nfs/dbraw/zinc/05/01/31/179050131.db2.gz OVGWVLLZWALSRM-VIFPVBQESA-N 2 1 297.200 2.454 40 0 CEABMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216538 394593178 /nfs/dbraw/zinc/59/31/78/394593178.db2.gz XKJDOOTVQLVMMU-MRXNPFEDSA-N 2 1 288.439 2.380 40 0 CEABMP C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccc(Br)cc2)C1 ZINC000096886190 290267208 /nfs/dbraw/zinc/26/72/08/290267208.db2.gz GDNNHXYGJATDLO-PWSUYJOCSA-N 2 1 269.186 2.053 40 0 CEABMP C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178205 364540957 /nfs/dbraw/zinc/54/09/57/364540957.db2.gz NAUMCYBEBRDWHH-IYBDPMFKSA-N 2 1 262.397 2.012 40 0 CEABMP C[NH+]1CCC([N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)CC1 ZINC000257210089 190012134 /nfs/dbraw/zinc/01/21/34/190012134.db2.gz BTCNHNCGMFUNGB-CQSZACIVSA-N 2 1 299.422 2.232 40 0 CEABMP C[NH+]1CCC([N@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)CC1 ZINC000257210089 190012135 /nfs/dbraw/zinc/01/21/35/190012135.db2.gz BTCNHNCGMFUNGB-CQSZACIVSA-N 2 1 299.422 2.232 40 0 CEABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3ncn4ccsc34)C2)CC1 ZINC000257271880 190023983 /nfs/dbraw/zinc/02/39/83/190023983.db2.gz NADWQYCGYOKNIZ-LBPRGKRZSA-N 2 1 290.436 2.279 40 0 CEABMP C[NH+]1CCC([N@H+]2CC[C@H](c3ncn4ccsc34)C2)CC1 ZINC000257271880 190023984 /nfs/dbraw/zinc/02/39/84/190023984.db2.gz NADWQYCGYOKNIZ-LBPRGKRZSA-N 2 1 290.436 2.279 40 0 CEABMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3nc(C)cn3C)C2)CC1 ZINC000257300402 190029981 /nfs/dbraw/zinc/02/99/81/190029981.db2.gz RUDJNQLNRVCTMV-AWEZNQCLSA-N 2 1 276.428 2.002 40 0 CEABMP CC[NH+]1CCC([N@H+]2CC[C@H](c3nc(C)cn3C)C2)CC1 ZINC000257300402 190029982 /nfs/dbraw/zinc/02/99/82/190029982.db2.gz RUDJNQLNRVCTMV-AWEZNQCLSA-N 2 1 276.428 2.002 40 0 CEABMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216298 394593407 /nfs/dbraw/zinc/59/34/07/394593407.db2.gz JWCDTQRQUQFQST-OAHLLOKOSA-N 2 1 274.412 2.038 40 0 CEABMP C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000248049606 523352943 /nfs/dbraw/zinc/35/29/43/523352943.db2.gz NAUMCYBEBRDWHH-WKILWMFISA-N 2 1 262.397 2.012 40 0 CEABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc2ccccc2c1 ZINC000001626908 538737732 /nfs/dbraw/zinc/73/77/32/538737732.db2.gz HVUMULOFKBCXQE-UHFFFAOYSA-N 2 1 267.336 2.025 40 0 CEABMP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](C[C@H]2CCOC2)C3)c1 ZINC000107261579 186164536 /nfs/dbraw/zinc/16/45/36/186164536.db2.gz CDHZTPDFSWQDBP-OAGGEKHMSA-N 2 1 290.407 2.070 40 0 CEABMP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](C[C@H]2CCOC2)C3)c1 ZINC000107261579 186164537 /nfs/dbraw/zinc/16/45/37/186164537.db2.gz CDHZTPDFSWQDBP-OAGGEKHMSA-N 2 1 290.407 2.070 40 0 CEABMP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](C[C@H]4CCOC4)C3)C2)c1 ZINC000107261579 186164538 /nfs/dbraw/zinc/16/45/38/186164538.db2.gz CDHZTPDFSWQDBP-OAGGEKHMSA-N 2 1 290.407 2.070 40 0 CEABMP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](C[C@H]4CCOC4)C3)C2)c1 ZINC000107261579 186164539 /nfs/dbraw/zinc/16/45/39/186164539.db2.gz CDHZTPDFSWQDBP-OAGGEKHMSA-N 2 1 290.407 2.070 40 0 CEABMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)s1 ZINC000096184309 344239265 /nfs/dbraw/zinc/23/92/65/344239265.db2.gz WCEFPOPPPVJBDH-CVEARBPZSA-N 2 1 293.480 2.267 40 0 CEABMP [NH3+]CCC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000059369891 362648502 /nfs/dbraw/zinc/64/85/02/362648502.db2.gz VNIVWJZKJPHGSB-UHFFFAOYSA-N 2 1 281.831 2.197 40 0 CEABMP [NH3+]CCCN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000059369891 362648505 /nfs/dbraw/zinc/64/85/05/362648505.db2.gz VNIVWJZKJPHGSB-UHFFFAOYSA-N 2 1 281.831 2.197 40 0 CEABMP [NH3+]CCCN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000059369891 362648516 /nfs/dbraw/zinc/64/85/16/362648516.db2.gz VNIVWJZKJPHGSB-UHFFFAOYSA-N 2 1 281.831 2.197 40 0 CEABMP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3cnn(C)c3C)C2)c1 ZINC000257256951 190021448 /nfs/dbraw/zinc/02/14/48/190021448.db2.gz KNNCHKCZQXOZGN-AWEZNQCLSA-N 2 1 299.422 2.463 40 0 CEABMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3nc(C)cn3C)C2)CC1 ZINC000257300403 190029389 /nfs/dbraw/zinc/02/93/89/190029389.db2.gz RUDJNQLNRVCTMV-CQSZACIVSA-N 2 1 276.428 2.002 40 0 CEABMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3nc(C)cn3C)C2)CC1 ZINC000257300403 190029390 /nfs/dbraw/zinc/02/93/90/190029390.db2.gz RUDJNQLNRVCTMV-CQSZACIVSA-N 2 1 276.428 2.002 40 0 CEABMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000104955352 394721017 /nfs/dbraw/zinc/72/10/17/394721017.db2.gz SFHFDXIKQWUDPS-OAHLLOKOSA-N 2 1 260.381 2.030 40 0 CEABMP [NH3+]CCN1CCCC[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079414759 295233239 /nfs/dbraw/zinc/23/32/39/295233239.db2.gz ILXFOKGQODVSAD-GOSISDBHSA-N 2 1 287.451 2.464 40 0 CEABMP CC[N@H+](CCO)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393519 363594526 /nfs/dbraw/zinc/59/45/26/363594526.db2.gz GBGJOVWOEAVFAF-KRWDZBQOSA-N 2 1 276.424 2.213 40 0 CEABMP CC[N@@H+](CCO)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393519 363594532 /nfs/dbraw/zinc/59/45/32/363594532.db2.gz GBGJOVWOEAVFAF-KRWDZBQOSA-N 2 1 276.424 2.213 40 0 CEABMP CC[NH+](CCO)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393519 363594537 /nfs/dbraw/zinc/59/45/37/363594537.db2.gz GBGJOVWOEAVFAF-KRWDZBQOSA-N 2 1 276.424 2.213 40 0 CEABMP CC[NH+](CCO)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393519 363594540 /nfs/dbraw/zinc/59/45/40/363594540.db2.gz GBGJOVWOEAVFAF-KRWDZBQOSA-N 2 1 276.424 2.213 40 0 CEABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH+](C)CC2 ZINC000096208102 364411525 /nfs/dbraw/zinc/41/15/25/364411525.db2.gz QJICPRANIYTPPV-INIZCTEOSA-N 2 1 289.423 2.014 40 0 CEABMP COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1cccs1)C2 ZINC000096218078 364413047 /nfs/dbraw/zinc/41/30/47/364413047.db2.gz SNUDYNPFHTZCHQ-DZGCQCFKSA-N 2 1 280.437 2.148 40 0 CEABMP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1cccs1)C2 ZINC000096218078 364413048 /nfs/dbraw/zinc/41/30/48/364413048.db2.gz SNUDYNPFHTZCHQ-DZGCQCFKSA-N 2 1 280.437 2.148 40 0 CEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000096218078 364413051 /nfs/dbraw/zinc/41/30/51/364413051.db2.gz SNUDYNPFHTZCHQ-DZGCQCFKSA-N 2 1 280.437 2.148 40 0 CEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096218078 364413053 /nfs/dbraw/zinc/41/30/53/364413053.db2.gz SNUDYNPFHTZCHQ-DZGCQCFKSA-N 2 1 280.437 2.148 40 0 CEABMP CCn1ncc(C)c1C[NH2+]CCC[NH+](CC)CC ZINC000256050978 190003780 /nfs/dbraw/zinc/00/37/80/190003780.db2.gz HGMTXOBMGPKGTE-UHFFFAOYSA-N 2 1 252.406 2.033 40 0 CEABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3cncn3C)C2)c1 ZINC000257271531 190023790 /nfs/dbraw/zinc/02/37/90/190023790.db2.gz MYRNTEVPBFDTBB-CYBMUJFWSA-N 2 1 285.395 2.155 40 0 CEABMP [NH3+]C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000228905742 260316691 /nfs/dbraw/zinc/31/66/91/260316691.db2.gz OTQDOZSDVVKALL-LBPRGKRZSA-N 2 1 258.287 2.400 40 0 CEABMP [NH3+]C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000228905742 260316692 /nfs/dbraw/zinc/31/66/92/260316692.db2.gz OTQDOZSDVVKALL-LBPRGKRZSA-N 2 1 258.287 2.400 40 0 CEABMP C[NH+](C)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000096056227 282141467 /nfs/dbraw/zinc/14/14/67/282141467.db2.gz RCFAEZQRRXOYTP-SOUVJXGZSA-N 2 1 280.437 2.147 40 0 CEABMP CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CCO)C1 ZINC000079414232 363597372 /nfs/dbraw/zinc/59/73/72/363597372.db2.gz ICHYVSCXFWXEHL-QGZVFWFLSA-N 2 1 276.424 2.213 40 0 CEABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CCO)C1 ZINC000079414232 363597375 /nfs/dbraw/zinc/59/73/75/363597375.db2.gz ICHYVSCXFWXEHL-QGZVFWFLSA-N 2 1 276.424 2.213 40 0 CEABMP CC[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](CCO)C1 ZINC000079414232 363597379 /nfs/dbraw/zinc/59/73/79/363597379.db2.gz ICHYVSCXFWXEHL-QGZVFWFLSA-N 2 1 276.424 2.213 40 0 CEABMP CC[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000079414232 363597384 /nfs/dbraw/zinc/59/73/84/363597384.db2.gz ICHYVSCXFWXEHL-QGZVFWFLSA-N 2 1 276.424 2.213 40 0 CEABMP [NH3+]C[C@H]1[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]12 ZINC000247636757 371131130 /nfs/dbraw/zinc/13/11/30/371131130.db2.gz FAAZCSOJONMFIE-JGPRNRPPSA-N 2 1 254.736 2.116 40 0 CEABMP c1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)CC2)cc1 ZINC000409433807 344888800 /nfs/dbraw/zinc/88/88/00/344888800.db2.gz TZNMMQIVVAKUOC-UHFFFAOYSA-N 2 1 260.381 2.031 40 0 CEABMP CCN(CC[NH3+])C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079393594 363593505 /nfs/dbraw/zinc/59/35/05/363593505.db2.gz UPVWLTFWQIHBDS-KRWDZBQOSA-N 2 1 275.440 2.322 40 0 CEABMP OCC[NH+]1CCC(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079414419 363596688 /nfs/dbraw/zinc/59/66/88/363596688.db2.gz NPEWAKQHSZSJQY-UHFFFAOYSA-N 2 1 288.435 2.355 40 0 CEABMP CCC[N@@H+]1CO[C@@H](OCC[NH+](CC)CC)C(C)(C)C1 ZINC000031761367 283353321 /nfs/dbraw/zinc/35/33/21/283353321.db2.gz BINFPLCQRWUIRA-CQSZACIVSA-N 2 1 272.433 2.397 40 0 CEABMP CCC[N@H+]1CO[C@@H](OCC[NH+](CC)CC)C(C)(C)C1 ZINC000031761367 283353323 /nfs/dbraw/zinc/35/33/23/283353323.db2.gz BINFPLCQRWUIRA-CQSZACIVSA-N 2 1 272.433 2.397 40 0 CEABMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)o1 ZINC000096184307 364406395 /nfs/dbraw/zinc/40/63/95/364406395.db2.gz ZHKNFAFYHDIQJB-SJORKVTESA-N 2 1 291.439 2.052 40 0 CEABMP CC[NH+](CC)CCC[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256050045 190003229 /nfs/dbraw/zinc/00/32/29/190003229.db2.gz CKWVVGYMDSYMHE-UHFFFAOYSA-N 2 1 288.386 2.278 40 0 CEABMP Cc1cc(N(C)C)cc([C@H]2CC[N@H+](C3CCOCC3)C2)[nH+]1 ZINC000257286876 190027101 /nfs/dbraw/zinc/02/71/01/190027101.db2.gz PNKXYOVGDRLZPD-AWEZNQCLSA-N 2 1 289.423 2.424 40 0 CEABMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)s1 ZINC000306141620 376541080 /nfs/dbraw/zinc/54/10/80/376541080.db2.gz WCEFPOPPPVJBDH-HZPDHXFCSA-N 2 1 293.480 2.267 40 0 CEABMP CC(C)[N@@H+](CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000242648591 400315372 /nfs/dbraw/zinc/31/53/72/400315372.db2.gz RCRNRGVZMHHJRV-XYPWUTKMSA-N 2 1 266.429 2.406 40 0 CEABMP [NH3+]CCN1CCCC[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079414753 303381659 /nfs/dbraw/zinc/38/16/59/303381659.db2.gz ILXFOKGQODVSAD-SFHVURJKSA-N 2 1 287.451 2.464 40 0 CEABMP c1cc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)co1 ZINC000096056233 185077171 /nfs/dbraw/zinc/07/71/71/185077171.db2.gz KCKASKXSXOZLFE-YESZJQIVSA-N 2 1 290.407 2.212 40 0 CEABMP Cc1[nH+]cc(CSC(N)=[NH2+])n1Cc1ccccc1 ZINC000003954518 361296002 /nfs/dbraw/zinc/29/60/02/361296002.db2.gz FHFHMOYELTZEQX-UHFFFAOYSA-N 2 1 260.366 2.366 40 0 in-vitro CEABMP C[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000096196773 364409379 /nfs/dbraw/zinc/40/93/79/364409379.db2.gz MWRXMUIJGXHPDQ-UHFFFAOYSA-N 2 1 290.436 2.065 40 0 CEABMP C[NH+](C)Cc1cnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000096196773 364409386 /nfs/dbraw/zinc/40/93/86/364409386.db2.gz MWRXMUIJGXHPDQ-UHFFFAOYSA-N 2 1 290.436 2.065 40 0 CEABMP c1cc(C[N@H+]2CC[C@]3(C2)C[C@@H]([NH+]2CCCC2)CCO3)co1 ZINC000096206871 364410671 /nfs/dbraw/zinc/41/06/71/364410671.db2.gz KWJPSRYSNHYJOB-DLBZAZTESA-N 2 1 290.407 2.499 40 0 CEABMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](C3CC3)[C@H]2C1 ZINC000409427699 375523927 /nfs/dbraw/zinc/52/39/27/375523927.db2.gz BUHGYPQOLLDKKM-IKGGRYGDSA-N 2 1 256.393 2.459 40 0 CEABMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](C3CC3)[C@H]2C1 ZINC000409427699 375523931 /nfs/dbraw/zinc/52/39/31/375523931.db2.gz BUHGYPQOLLDKKM-IKGGRYGDSA-N 2 1 256.393 2.459 40 0 CEABMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](C3CC3)[C@H]2C1 ZINC000409427699 375523935 /nfs/dbraw/zinc/52/39/35/375523935.db2.gz BUHGYPQOLLDKKM-IKGGRYGDSA-N 2 1 256.393 2.459 40 0 CEABMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216539 394592876 /nfs/dbraw/zinc/59/28/76/394592876.db2.gz XKJDOOTVQLVMMU-INIZCTEOSA-N 2 1 288.439 2.380 40 0 CEABMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000104955357 394721145 /nfs/dbraw/zinc/72/11/45/394721145.db2.gz SFHFDXIKQWUDPS-HNNXBMFYSA-N 2 1 260.381 2.030 40 0 CEABMP C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)C[NH2+]C1CCCCC1)C2 ZINC000006703232 170230371 /nfs/dbraw/zinc/23/03/71/170230371.db2.gz IDCOFRHAGSNQQY-YIONKMFJSA-N 2 1 280.412 2.077 40 0 CEABMP C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)C[NH2+]C1CCCCC1)C2 ZINC000006703232 170230372 /nfs/dbraw/zinc/23/03/72/170230372.db2.gz IDCOFRHAGSNQQY-YIONKMFJSA-N 2 1 280.412 2.077 40 0 CEABMP CN1[C@H](C[NH+](C)C)C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21 ZINC000096064365 185084699 /nfs/dbraw/zinc/08/46/99/185084699.db2.gz LZENCIQAYKWVAV-PMPSAXMXSA-N 2 1 293.480 2.204 40 0 CEABMP CC(C)N(CC[NH3+])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393612 363594672 /nfs/dbraw/zinc/59/46/72/363594672.db2.gz SAWPHPUERYZSGJ-KRWDZBQOSA-N 2 1 275.440 2.178 40 0 CEABMP CC(C)[N@H+](CCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079395093 363595404 /nfs/dbraw/zinc/59/54/04/363595404.db2.gz YWKRMJPLPIUQDH-KRWDZBQOSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[N@@H+](CCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079395093 363595411 /nfs/dbraw/zinc/59/54/11/363595411.db2.gz YWKRMJPLPIUQDH-KRWDZBQOSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[NH+](CCO)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079395093 363595414 /nfs/dbraw/zinc/59/54/14/363595414.db2.gz YWKRMJPLPIUQDH-KRWDZBQOSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[NH+](CCO)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079395093 363595421 /nfs/dbraw/zinc/59/54/21/363595421.db2.gz YWKRMJPLPIUQDH-KRWDZBQOSA-N 2 1 276.424 2.211 40 0 CEABMP CCC[N@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216524 394592785 /nfs/dbraw/zinc/59/27/85/394592785.db2.gz FTZHLJLEEYBRPR-INIZCTEOSA-N 2 1 288.439 2.380 40 0 CEABMP C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000096886189 185121884 /nfs/dbraw/zinc/12/18/84/185121884.db2.gz GDNNHXYGJATDLO-JQWIXIFHSA-N 2 1 269.186 2.053 40 0 CEABMP COC[C@H]1CC2(C[N@H+]1Cc1csc(C)n1)CC[NH2+]CC2 ZINC000096240353 364417261 /nfs/dbraw/zinc/41/72/61/364417261.db2.gz KUMAYTZUVCXBKJ-CQSZACIVSA-N 2 1 295.452 2.042 40 0 CEABMP CC(C)[NH+]1CCC2(CC1)C[N@@H+](C)Cc1cccnc12 ZINC000306133686 394513844 /nfs/dbraw/zinc/51/38/44/394513844.db2.gz MSQDSTLHMMKSCG-UHFFFAOYSA-N 2 1 259.397 2.269 40 0 CEABMP [NH3+]C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000228905726 260316651 /nfs/dbraw/zinc/31/66/51/260316651.db2.gz OTQDOZSDVVKALL-GFCCVEGCSA-N 2 1 258.287 2.400 40 0 CEABMP [NH3+]C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000228905726 260316652 /nfs/dbraw/zinc/31/66/52/260316652.db2.gz OTQDOZSDVVKALL-GFCCVEGCSA-N 2 1 258.287 2.400 40 0 CEABMP c1ccc(COC[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC000095908686 185030585 /nfs/dbraw/zinc/03/05/85/185030585.db2.gz DQUKACLVCXNZAL-KRWDZBQOSA-N 2 1 274.408 2.420 40 0 CEABMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096078747 185089491 /nfs/dbraw/zinc/08/94/91/185089491.db2.gz HJPXDVCQFIJSMF-QWHCGFSZSA-N 2 1 254.374 2.272 40 0 CEABMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096078747 185089492 /nfs/dbraw/zinc/08/94/92/185089492.db2.gz HJPXDVCQFIJSMF-QWHCGFSZSA-N 2 1 254.374 2.272 40 0 CEABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCN1CC[NH3+] ZINC000079414645 363596771 /nfs/dbraw/zinc/59/67/71/363596771.db2.gz UPQBTMYCCOEVGC-QGZVFWFLSA-N 2 1 275.440 2.320 40 0 CEABMP CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216363 394593211 /nfs/dbraw/zinc/59/32/11/394593211.db2.gz BQXACZFROBBEAK-INIZCTEOSA-N 2 1 288.439 2.427 40 0 CEABMP Cc1cccc(N2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)[nH+]1 ZINC000257257616 281229184 /nfs/dbraw/zinc/22/91/84/281229184.db2.gz KQKUAJLDKYKBLT-OAHLLOKOSA-N 2 1 284.363 2.254 40 0 CEABMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(C[NH+](C)C)cc1 ZINC000072324741 288313966 /nfs/dbraw/zinc/31/39/66/288313966.db2.gz VSNBXFAVCMPSEF-QAPCUYQASA-N 2 1 287.451 2.417 40 0 CEABMP OCC[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393553 363593611 /nfs/dbraw/zinc/59/36/11/363593611.db2.gz CXELYOQSQLGQQG-KRWDZBQOSA-N 2 1 288.435 2.355 40 0 CEABMP OCC[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393553 363593617 /nfs/dbraw/zinc/59/36/17/363593617.db2.gz CXELYOQSQLGQQG-KRWDZBQOSA-N 2 1 288.435 2.355 40 0 CEABMP OCC[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393553 363593622 /nfs/dbraw/zinc/59/36/22/363593622.db2.gz CXELYOQSQLGQQG-KRWDZBQOSA-N 2 1 288.435 2.355 40 0 CEABMP CCN(CC[NH3+])C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079393596 363594003 /nfs/dbraw/zinc/59/40/03/363594003.db2.gz UPVWLTFWQIHBDS-QGZVFWFLSA-N 2 1 275.440 2.322 40 0 CEABMP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CCO)C1 ZINC000079414227 363597291 /nfs/dbraw/zinc/59/72/91/363597291.db2.gz ICHYVSCXFWXEHL-KRWDZBQOSA-N 2 1 276.424 2.213 40 0 CEABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CCO)C1 ZINC000079414227 363597297 /nfs/dbraw/zinc/59/72/97/363597297.db2.gz ICHYVSCXFWXEHL-KRWDZBQOSA-N 2 1 276.424 2.213 40 0 CEABMP CC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000079414227 363597301 /nfs/dbraw/zinc/59/73/01/363597301.db2.gz ICHYVSCXFWXEHL-KRWDZBQOSA-N 2 1 276.424 2.213 40 0 CEABMP CC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079414227 363597308 /nfs/dbraw/zinc/59/73/08/363597308.db2.gz ICHYVSCXFWXEHL-KRWDZBQOSA-N 2 1 276.424 2.213 40 0 CEABMP C[N@H+]1C[C@@H](c2ccccc2)[C@@H](O)[C@H](C[NH+]2CCCCC2)C1 ZINC000005699167 170130430 /nfs/dbraw/zinc/13/04/30/170130430.db2.gz WMHNFSXEDPVRNU-BZSNNMDCSA-N 2 1 288.435 2.179 40 0 CEABMP C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](O)[C@H](C[NH+]2CCCCC2)C1 ZINC000005699167 170130431 /nfs/dbraw/zinc/13/04/31/170130431.db2.gz WMHNFSXEDPVRNU-BZSNNMDCSA-N 2 1 288.435 2.179 40 0 CEABMP COCC[N@@H+]1CCC[C@H]1c1cc(N(C)C)cc(C)[nH+]1 ZINC000072380953 176387415 /nfs/dbraw/zinc/38/74/15/176387415.db2.gz FXLGHEDLJMVYNN-HNNXBMFYSA-N 2 1 263.385 2.239 40 0 CEABMP COCC[N@H+]1CCC[C@H]1c1cc(N(C)C)cc(C)[nH+]1 ZINC000072380953 176387416 /nfs/dbraw/zinc/38/74/16/176387416.db2.gz FXLGHEDLJMVYNN-HNNXBMFYSA-N 2 1 263.385 2.239 40 0 CEABMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2cccs2)n1C ZINC000019287302 361526692 /nfs/dbraw/zinc/52/66/92/361526692.db2.gz VUXDJXRXDJELLI-UHFFFAOYSA-N 2 1 292.452 2.354 40 0 CEABMP CN1[C@H](C[NH+](C)C)C[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000096185546 364406937 /nfs/dbraw/zinc/40/69/37/364406937.db2.gz HTESNTPHZWOBNW-YCPHGPKFSA-N 2 1 293.480 2.204 40 0 CEABMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000248242230 371171509 /nfs/dbraw/zinc/17/15/09/371171509.db2.gz HNOIFNMTCSBWKU-BZUAXINKSA-N 2 1 297.487 2.486 40 0 CEABMP Cc1nccc(N2CCN(C)[C@H](c3ccccc3)C2)n1 ZINC000257256011 371611256 /nfs/dbraw/zinc/61/12/56/371611256.db2.gz KJSLRCOYTLXZPI-HNNXBMFYSA-N 2 1 268.364 2.278 40 0 CEABMP CCC[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216584 256710626 /nfs/dbraw/zinc/71/06/26/256710626.db2.gz CTMNVLLKNHPFBN-INIZCTEOSA-N 2 1 288.439 2.380 40 0 CEABMP CCCC[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216347 394593196 /nfs/dbraw/zinc/59/31/96/394593196.db2.gz RFFDVMJXDRNCIN-MRXNPFEDSA-N 2 1 288.439 2.428 40 0 CEABMP CCOC(=O)[C@H](C[NH3+])C1([NH+]2CCCCC2)CCCCC1 ZINC000072210453 394591981 /nfs/dbraw/zinc/59/19/81/394591981.db2.gz LCNOFJITDOPTRI-AWEZNQCLSA-N 2 1 282.428 2.313 40 0 CEABMP COc1ccc(C)c2c(N3CC[NH2+]CC3)cc(C)[nH+]c12 ZINC000084191301 536786068 /nfs/dbraw/zinc/78/60/68/536786068.db2.gz ZFZPDLUTMGWZOG-UHFFFAOYSA-N 2 1 271.364 2.270 40 0 CEABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](C)CC2 ZINC000585103825 345005612 /nfs/dbraw/zinc/00/56/12/345005612.db2.gz RUTODROLPLTOAR-CQSZACIVSA-N 2 1 278.396 2.070 40 0 CEABMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)oc1C ZINC000306144682 201845162 /nfs/dbraw/zinc/84/51/62/201845162.db2.gz ZLYZXPRVYQGAES-IAGOWNOFSA-N 2 1 291.439 2.107 40 0 CEABMP [NH3+]CCN1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079414747 363596941 /nfs/dbraw/zinc/59/69/41/363596941.db2.gz JOBPQUSOWBTTJD-UHFFFAOYSA-N 2 1 273.424 2.074 40 0 CEABMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H](C)C[N@@H+]1C ZINC000101912042 364578421 /nfs/dbraw/zinc/57/84/21/364578421.db2.gz RSTSMVMSMDWOHJ-SCRDCRAPSA-N 2 1 276.380 2.234 40 0 CEABMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H](C)C[N@H+]1C ZINC000101912042 364578423 /nfs/dbraw/zinc/57/84/23/364578423.db2.gz RSTSMVMSMDWOHJ-SCRDCRAPSA-N 2 1 276.380 2.234 40 0 CEABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH2+]CC2 ZINC000585103201 367179458 /nfs/dbraw/zinc/17/94/58/367179458.db2.gz MYGZEHJZIHALQT-CYBMUJFWSA-N 2 1 280.437 2.196 40 0 CEABMP CCC[N@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216284 394592735 /nfs/dbraw/zinc/59/27/35/394592735.db2.gz WXENIWOWQNHOBP-HNNXBMFYSA-N 2 1 274.412 2.038 40 0 CEABMP CC[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216359 394593697 /nfs/dbraw/zinc/59/36/97/394593697.db2.gz VCOMEWIGXBHYGH-HNNXBMFYSA-N 2 1 274.412 2.038 40 0 CEABMP CCOC(=O)[C@H](C[NH3+])C1([NH+](CC)CC)CCCCC1 ZINC000072210446 394592302 /nfs/dbraw/zinc/59/23/02/394592302.db2.gz FUKUZUIIROTEPD-ZDUSSCGKSA-N 2 1 270.417 2.169 40 0 CEABMP c1ccc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000022585986 171393265 /nfs/dbraw/zinc/39/32/65/171393265.db2.gz VVLVGZJFLAWJJM-UHFFFAOYSA-N 2 1 287.451 2.290 40 0 CEABMP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@H+](CC1CC1)C2 ZINC000585112554 345005561 /nfs/dbraw/zinc/00/55/61/345005561.db2.gz SPTLIVYVAYPMNO-INIZCTEOSA-N 2 1 274.412 2.136 40 0 CEABMP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@@H+](CC1CC1)C2 ZINC000585112554 345005563 /nfs/dbraw/zinc/00/55/63/345005563.db2.gz SPTLIVYVAYPMNO-INIZCTEOSA-N 2 1 274.412 2.136 40 0 CEABMP CC[NH+](CC)CC[C@@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000585112133 345005848 /nfs/dbraw/zinc/00/58/48/345005848.db2.gz IMLUIIWVBYKXKK-MRXNPFEDSA-N 2 1 276.428 2.382 40 0 CEABMP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CC[NH+](CCO)C1 ZINC000079414278 363596880 /nfs/dbraw/zinc/59/68/80/363596880.db2.gz YXJXMEXEEPTZLI-KRWDZBQOSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](CCO)C1 ZINC000079414278 363596886 /nfs/dbraw/zinc/59/68/86/363596886.db2.gz YXJXMEXEEPTZLI-KRWDZBQOSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](CCO)C1 ZINC000079414278 363596890 /nfs/dbraw/zinc/59/68/90/363596890.db2.gz YXJXMEXEEPTZLI-KRWDZBQOSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](CCO)C1 ZINC000079414278 363596894 /nfs/dbraw/zinc/59/68/94/363596894.db2.gz YXJXMEXEEPTZLI-KRWDZBQOSA-N 2 1 276.424 2.211 40 0 CEABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCN(CC[NH3+])C1 ZINC000079414619 363597692 /nfs/dbraw/zinc/59/76/92/363597692.db2.gz BZQNWWZCGVZTFA-QGZVFWFLSA-N 2 1 275.440 2.179 40 0 CEABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000257260581 190022098 /nfs/dbraw/zinc/02/20/98/190022098.db2.gz LDMOBGOKPDXOHB-CQSZACIVSA-N 2 1 288.439 2.315 40 0 CEABMP CC(C)[N@@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3ccoc3)C[C@@H]2O1 ZINC000096100359 394677302 /nfs/dbraw/zinc/67/73/02/394677302.db2.gz SKMYFPBVPBAZDP-OAGGEKHMSA-N 2 1 278.396 2.209 40 0 CEABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096100359 394677304 /nfs/dbraw/zinc/67/73/04/394677304.db2.gz SKMYFPBVPBAZDP-OAGGEKHMSA-N 2 1 278.396 2.209 40 0 CEABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096100359 394677307 /nfs/dbraw/zinc/67/73/07/394677307.db2.gz SKMYFPBVPBAZDP-OAGGEKHMSA-N 2 1 278.396 2.209 40 0 CEABMP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@@H+](C1CCC1)C2 ZINC000585113007 345005760 /nfs/dbraw/zinc/00/57/60/345005760.db2.gz ZWMVIUSJMVLIEV-INIZCTEOSA-N 2 1 274.412 2.278 40 0 CEABMP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@H+](C1CCC1)C2 ZINC000585113007 345005763 /nfs/dbraw/zinc/00/57/63/345005763.db2.gz ZWMVIUSJMVLIEV-INIZCTEOSA-N 2 1 274.412 2.278 40 0 CEABMP [NH3+]CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393646 363595979 /nfs/dbraw/zinc/59/59/79/363595979.db2.gz RIQXBDQAYAJPHI-KRWDZBQOSA-N 2 1 287.451 2.322 40 0 CEABMP [NH3+]CCN1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414732 363597130 /nfs/dbraw/zinc/59/71/30/363597130.db2.gz IHLPMILTHBNGBH-QGZVFWFLSA-N 2 1 273.424 2.074 40 0 CEABMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257695716 190038570 /nfs/dbraw/zinc/03/85/70/190038570.db2.gz OTMFYKJXQBEAHP-UHFFFAOYSA-N 2 1 260.381 2.271 40 0 CEABMP COc1ccc2c(c1)C[NH2+]C[C@]1(CCC[N@@H+](C)CC1)O2 ZINC000019588837 394468397 /nfs/dbraw/zinc/46/83/97/394468397.db2.gz ICJFGZFISQBMLX-MRXNPFEDSA-N 2 1 276.380 2.032 40 0 CEABMP C[NH+](C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]12 ZINC000096056204 394675303 /nfs/dbraw/zinc/67/53/03/394675303.db2.gz PMMKSRXZXJDXCO-OIISXLGYSA-N 2 1 292.398 2.224 40 0 CEABMP OCC[N@@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079414409 363596553 /nfs/dbraw/zinc/59/65/53/363596553.db2.gz RJRPCZJXJYIDFV-QGZVFWFLSA-N 2 1 288.435 2.355 40 0 CEABMP OCC[N@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079414409 363596557 /nfs/dbraw/zinc/59/65/57/363596557.db2.gz RJRPCZJXJYIDFV-QGZVFWFLSA-N 2 1 288.435 2.355 40 0 CEABMP OCC[NH+]1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414409 363596561 /nfs/dbraw/zinc/59/65/61/363596561.db2.gz RJRPCZJXJYIDFV-QGZVFWFLSA-N 2 1 288.435 2.355 40 0 CEABMP OCC[NH+]1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414409 363596567 /nfs/dbraw/zinc/59/65/67/363596567.db2.gz RJRPCZJXJYIDFV-QGZVFWFLSA-N 2 1 288.435 2.355 40 0 CEABMP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1cccs1)C2 ZINC000096217067 364413140 /nfs/dbraw/zinc/41/31/40/364413140.db2.gz SNUDYNPFHTZCHQ-UKRRQHHQSA-N 2 1 280.437 2.148 40 0 CEABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1cccs1)C2 ZINC000096217067 364413144 /nfs/dbraw/zinc/41/31/44/364413144.db2.gz SNUDYNPFHTZCHQ-UKRRQHHQSA-N 2 1 280.437 2.148 40 0 CEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000096217067 364413148 /nfs/dbraw/zinc/41/31/48/364413148.db2.gz SNUDYNPFHTZCHQ-UKRRQHHQSA-N 2 1 280.437 2.148 40 0 CEABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096217067 364413153 /nfs/dbraw/zinc/41/31/53/364413153.db2.gz SNUDYNPFHTZCHQ-UKRRQHHQSA-N 2 1 280.437 2.148 40 0 CEABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH2+]CC2 ZINC000585103202 367178381 /nfs/dbraw/zinc/17/83/81/367178381.db2.gz MYGZEHJZIHALQT-ZDUSSCGKSA-N 2 1 280.437 2.196 40 0 CEABMP Cc1[nH+]ccn1-c1cccc(C2CC[NH+](C)CC2)n1 ZINC000072355669 176374891 /nfs/dbraw/zinc/37/48/91/176374891.db2.gz HAYBBVQONKEIMA-UHFFFAOYSA-N 2 1 256.353 2.385 40 0 CEABMP [NH3+]CCN1CCC(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079414773 363597089 /nfs/dbraw/zinc/59/70/89/363597089.db2.gz KIPFSXIFYAJYGZ-UHFFFAOYSA-N 2 1 287.451 2.322 40 0 CEABMP OCC[N@@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079414416 363597334 /nfs/dbraw/zinc/59/73/34/363597334.db2.gz RJRPCZJXJYIDFV-KRWDZBQOSA-N 2 1 288.435 2.355 40 0 CEABMP OCC[N@H+]1CCC[C@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079414416 363597340 /nfs/dbraw/zinc/59/73/40/363597340.db2.gz RJRPCZJXJYIDFV-KRWDZBQOSA-N 2 1 288.435 2.355 40 0 CEABMP OCC[NH+]1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414416 363597342 /nfs/dbraw/zinc/59/73/42/363597342.db2.gz RJRPCZJXJYIDFV-KRWDZBQOSA-N 2 1 288.435 2.355 40 0 CEABMP OCC[NH+]1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414416 363597348 /nfs/dbraw/zinc/59/73/48/363597348.db2.gz RJRPCZJXJYIDFV-KRWDZBQOSA-N 2 1 288.435 2.355 40 0 CEABMP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccccc1C)C2 ZINC000096209612 364411832 /nfs/dbraw/zinc/41/18/32/364411832.db2.gz ZWQIIRZOMQBFRO-ZWKOTPCHSA-N 2 1 288.435 2.395 40 0 CEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccccc1C)C2 ZINC000096209612 364411836 /nfs/dbraw/zinc/41/18/36/364411836.db2.gz ZWQIIRZOMQBFRO-ZWKOTPCHSA-N 2 1 288.435 2.395 40 0 CEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccccc1C)C2 ZINC000096209612 364411841 /nfs/dbraw/zinc/41/18/41/364411841.db2.gz ZWQIIRZOMQBFRO-ZWKOTPCHSA-N 2 1 288.435 2.395 40 0 CEABMP Cc1nccc(N2CCN(C)[C@@H](c3ccccc3)C2)n1 ZINC000257256012 371610652 /nfs/dbraw/zinc/61/06/52/371610652.db2.gz KJSLRCOYTLXZPI-OAHLLOKOSA-N 2 1 268.364 2.278 40 0 CEABMP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000257228675 190016298 /nfs/dbraw/zinc/01/62/98/190016298.db2.gz FUVAHSUXRXKFDR-AWEZNQCLSA-N 2 1 260.385 2.085 40 0 CEABMP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2CC2CC2)n1 ZINC000257228675 190016299 /nfs/dbraw/zinc/01/62/99/190016299.db2.gz FUVAHSUXRXKFDR-AWEZNQCLSA-N 2 1 260.385 2.085 40 0 CEABMP CCCC[NH+](CCCC)CCC[NH2+]Cc1cnc(N)nc1 ZINC000062718379 394571209 /nfs/dbraw/zinc/57/12/09/394571209.db2.gz PEJLEDLYPUTTKN-UHFFFAOYSA-N 2 1 293.459 2.441 40 0 CEABMP [NH3+]CC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000044511981 175188323 /nfs/dbraw/zinc/18/83/23/175188323.db2.gz YPJWIWXUGUFODB-UHFFFAOYSA-N 2 1 273.174 2.213 40 0 CEABMP C[NH+]1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000036878980 361867006 /nfs/dbraw/zinc/86/70/06/361867006.db2.gz DJXKHOADYQLOHC-UHFFFAOYSA-N 2 1 297.443 2.070 40 0 CEABMP COCC[N@H+]1CC[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2C1 ZINC000063527345 362768753 /nfs/dbraw/zinc/76/87/53/362768753.db2.gz HXICOGUCDBUBCO-MSOLQXFVSA-N 2 1 288.435 2.129 40 0 CEABMP COCC[NH+]1CC[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2C1 ZINC000063527345 362768757 /nfs/dbraw/zinc/76/87/57/362768757.db2.gz HXICOGUCDBUBCO-MSOLQXFVSA-N 2 1 288.435 2.129 40 0 CEABMP COCC[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2C1 ZINC000063527345 362768762 /nfs/dbraw/zinc/76/87/62/362768762.db2.gz HXICOGUCDBUBCO-MSOLQXFVSA-N 2 1 288.435 2.129 40 0 CEABMP Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](C)C)O[C@H]3C2)s1 ZINC000096056654 185077535 /nfs/dbraw/zinc/07/75/35/185077535.db2.gz OYSKOGYAARAMPG-NFAWXSAZSA-N 2 1 280.437 2.207 40 0 CEABMP COCC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096062850 185083070 /nfs/dbraw/zinc/08/30/70/185083070.db2.gz CQKDZYPAPWOEDK-UHFFFAOYSA-N 2 1 289.423 2.016 40 0 CEABMP CCOC(=O)[C@@H](C[NH3+])[C@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351408 344534894 /nfs/dbraw/zinc/53/48/94/344534894.db2.gz QGGWEHAGQMESEH-UWWPHRKUSA-N 2 1 296.455 2.271 40 0 CEABMP COc1cccc(C[N@H+]2CCC3(CC([NH+](C)C)C3)C2)n1 ZINC000108526900 186220582 /nfs/dbraw/zinc/22/05/82/186220582.db2.gz BXSXQAIPPVEUHY-UHFFFAOYSA-N 2 1 275.396 2.006 40 0 CEABMP c1cc(C[N@H+]2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)co1 ZINC000096206236 364411588 /nfs/dbraw/zinc/41/15/88/364411588.db2.gz KWJPSRYSNHYJOB-IAGOWNOFSA-N 2 1 290.407 2.499 40 0 CEABMP C[NH+](C)C[C@H]1CCC[C@]2(CC[N@@H+](Cc3cccnc3)C2)O1 ZINC000096215254 364412711 /nfs/dbraw/zinc/41/27/11/364412711.db2.gz NHQGKVYNZBSQTK-IAGOWNOFSA-N 2 1 289.423 2.157 40 0 CEABMP CC[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216598 394593043 /nfs/dbraw/zinc/59/30/43/394593043.db2.gz HNVBLAOTGGDUMO-MRXNPFEDSA-N 2 1 288.439 2.380 40 0 CEABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[NH+](C)C)OC[C@H]3C2)s1 ZINC000096056203 185078070 /nfs/dbraw/zinc/07/80/70/185078070.db2.gz OLPSVGWCRZSDNB-BMFZPTHFSA-N 2 1 294.464 2.455 40 0 CEABMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)oc1C ZINC000107198955 186162795 /nfs/dbraw/zinc/16/27/95/186162795.db2.gz ZLYZXPRVYQGAES-DLBZAZTESA-N 2 1 291.439 2.107 40 0 CEABMP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)o1 ZINC000096184308 364407284 /nfs/dbraw/zinc/40/72/84/364407284.db2.gz ZHKNFAFYHDIQJB-IRXDYDNUSA-N 2 1 291.439 2.052 40 0 CEABMP CC(C)[N@@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2O1 ZINC000096251654 364416768 /nfs/dbraw/zinc/41/67/68/364416768.db2.gz QHWYUHPSNPBTHN-ZACQAIPSSA-N 2 1 289.423 2.011 40 0 CEABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2O1 ZINC000096251654 364416771 /nfs/dbraw/zinc/41/67/71/364416771.db2.gz QHWYUHPSNPBTHN-ZACQAIPSSA-N 2 1 289.423 2.011 40 0 CEABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2O1 ZINC000096251654 364416778 /nfs/dbraw/zinc/41/67/78/364416778.db2.gz QHWYUHPSNPBTHN-ZACQAIPSSA-N 2 1 289.423 2.011 40 0 CEABMP CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216302 394593341 /nfs/dbraw/zinc/59/33/41/394593341.db2.gz ADRUWRXIQFZWHP-MRXNPFEDSA-N 2 1 288.439 2.427 40 0 CEABMP CC(C)[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216582 394593364 /nfs/dbraw/zinc/59/33/64/394593364.db2.gz URPAHDFOTZAADV-INIZCTEOSA-N 2 1 288.439 2.379 40 0 CEABMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)s1 ZINC000107198921 186162990 /nfs/dbraw/zinc/16/29/90/186162990.db2.gz WCEFPOPPPVJBDH-JKSUJKDBSA-N 2 1 293.480 2.267 40 0 CEABMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000107795656 186191029 /nfs/dbraw/zinc/19/10/29/186191029.db2.gz HJPXDVCQFIJSMF-CHWSQXEVSA-N 2 1 254.374 2.272 40 0 CEABMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000107795656 186191031 /nfs/dbraw/zinc/19/10/31/186191031.db2.gz HJPXDVCQFIJSMF-CHWSQXEVSA-N 2 1 254.374 2.272 40 0 CEABMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN1CC[NH3+] ZINC000079414641 363597020 /nfs/dbraw/zinc/59/70/20/363597020.db2.gz UPQBTMYCCOEVGC-KRWDZBQOSA-N 2 1 275.440 2.320 40 0 CEABMP COc1ccc2c(c1)C[NH2+]C[C@@]1(CCC[N@@H+](C)CC1)O2 ZINC000019588839 361545682 /nfs/dbraw/zinc/54/56/82/361545682.db2.gz ICJFGZFISQBMLX-INIZCTEOSA-N 2 1 276.380 2.032 40 0 CEABMP C(OC[C@@H]1CC2(C[N@H+]1CC1CC1)CC[NH2+]CC2)C1CC1 ZINC000096218499 364413404 /nfs/dbraw/zinc/41/34/04/364413404.db2.gz UZNRHYWSGYFVTI-INIZCTEOSA-N 2 1 278.440 2.267 40 0 CEABMP Cc1cc(N(C)C)cc([C@@H]2CC[N@H+](C3CCOCC3)C2)[nH+]1 ZINC000257286877 190027215 /nfs/dbraw/zinc/02/72/15/190027215.db2.gz PNKXYOVGDRLZPD-CQSZACIVSA-N 2 1 289.423 2.424 40 0 CEABMP Cc1cccc(N2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)[nH+]1 ZINC000257257615 394595481 /nfs/dbraw/zinc/59/54/81/394595481.db2.gz KQKUAJLDKYKBLT-HNNXBMFYSA-N 2 1 284.363 2.254 40 0 CEABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072355668 176375028 /nfs/dbraw/zinc/37/50/28/176375028.db2.gz CMHJUKZFOODYNP-ZDUSSCGKSA-N 2 1 256.353 2.385 40 0 CEABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072355668 176375029 /nfs/dbraw/zinc/37/50/29/176375029.db2.gz CMHJUKZFOODYNP-ZDUSSCGKSA-N 2 1 256.353 2.385 40 0 CEABMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000013561973 520623846 /nfs/dbraw/zinc/62/38/46/520623846.db2.gz HXTWJHKANGPBIS-OWCLPIDISA-N 2 1 297.487 2.201 40 0 CEABMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096078746 185089196 /nfs/dbraw/zinc/08/91/96/185089196.db2.gz HJPXDVCQFIJSMF-STQMWFEESA-N 2 1 254.374 2.272 40 0 CEABMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096078746 185089197 /nfs/dbraw/zinc/08/91/97/185089197.db2.gz HJPXDVCQFIJSMF-STQMWFEESA-N 2 1 254.374 2.272 40 0 CEABMP [NH3+]CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393648 363596097 /nfs/dbraw/zinc/59/60/97/363596097.db2.gz RIQXBDQAYAJPHI-QGZVFWFLSA-N 2 1 287.451 2.322 40 0 CEABMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)s1 ZINC000096184310 364407239 /nfs/dbraw/zinc/40/72/39/364407239.db2.gz WCEFPOPPPVJBDH-HOTGVXAUSA-N 2 1 293.480 2.267 40 0 CEABMP Cc1cccc(N2CCC[C@@H](N(C)Cc3cncn3C)C2)n1 ZINC000257343698 371613258 /nfs/dbraw/zinc/61/32/58/371613258.db2.gz ZUAZKXLTVKVMJG-OAHLLOKOSA-N 2 1 299.422 2.224 40 0 CEABMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000257243796 190018241 /nfs/dbraw/zinc/01/82/41/190018241.db2.gz IIOPGNQRTGIAJS-INIZCTEOSA-N 2 1 270.380 2.499 40 0 CEABMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000257243796 190018242 /nfs/dbraw/zinc/01/82/42/190018242.db2.gz IIOPGNQRTGIAJS-INIZCTEOSA-N 2 1 270.380 2.499 40 0 CEABMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Cc3cc[nH]n3)C2)CC1 ZINC000257279208 190025332 /nfs/dbraw/zinc/02/53/32/190025332.db2.gz OFNJQCAGCXYEDY-CQSZACIVSA-N 2 1 276.428 2.149 40 0 CEABMP CC[NH+]1CCC([N@H+]2CCC[C@H](Cc3cc[nH]n3)C2)CC1 ZINC000257279208 190025333 /nfs/dbraw/zinc/02/53/33/190025333.db2.gz OFNJQCAGCXYEDY-CQSZACIVSA-N 2 1 276.428 2.149 40 0 CEABMP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@H+](CC1CC1)C2 ZINC000585112556 345006131 /nfs/dbraw/zinc/00/61/31/345006131.db2.gz SPTLIVYVAYPMNO-MRXNPFEDSA-N 2 1 274.412 2.136 40 0 CEABMP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@@H+](CC1CC1)C2 ZINC000585112556 345006133 /nfs/dbraw/zinc/00/61/33/345006133.db2.gz SPTLIVYVAYPMNO-MRXNPFEDSA-N 2 1 274.412 2.136 40 0 CEABMP CC(C)[N@H+](CCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079395090 363595546 /nfs/dbraw/zinc/59/55/46/363595546.db2.gz YWKRMJPLPIUQDH-QGZVFWFLSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[N@@H+](CCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079395090 363595551 /nfs/dbraw/zinc/59/55/51/363595551.db2.gz YWKRMJPLPIUQDH-QGZVFWFLSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[NH+](CCO)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079395090 363595558 /nfs/dbraw/zinc/59/55/58/363595558.db2.gz YWKRMJPLPIUQDH-QGZVFWFLSA-N 2 1 276.424 2.211 40 0 CEABMP CC(C)[NH+](CCO)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079395090 363595563 /nfs/dbraw/zinc/59/55/63/363595563.db2.gz YWKRMJPLPIUQDH-QGZVFWFLSA-N 2 1 276.424 2.211 40 0 CEABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000257243797 190018542 /nfs/dbraw/zinc/01/85/42/190018542.db2.gz IIOPGNQRTGIAJS-MRXNPFEDSA-N 2 1 270.380 2.499 40 0 CEABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000257243797 190018543 /nfs/dbraw/zinc/01/85/43/190018543.db2.gz IIOPGNQRTGIAJS-MRXNPFEDSA-N 2 1 270.380 2.499 40 0 CEABMP CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216285 394592924 /nfs/dbraw/zinc/59/29/24/394592924.db2.gz PBTFXAXBUIHEFT-MRXNPFEDSA-N 2 1 288.439 2.284 40 0 CEABMP CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216345 394593456 /nfs/dbraw/zinc/59/34/56/394593456.db2.gz UQRPQPLDFFLFGY-MRXNPFEDSA-N 2 1 288.439 2.284 40 0 CEABMP CC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCC[NH+](C)C)C2 ZINC000096089831 394677093 /nfs/dbraw/zinc/67/70/93/394677093.db2.gz YVLONVXWSIRREV-LSDHHAIUSA-N 2 1 254.418 2.219 40 0 CEABMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@]1(O)CC[NH2+]Cc1ccccc1 ZINC000004785488 170016784 /nfs/dbraw/zinc/01/67/84/170016784.db2.gz JKYJLJRYZGZWSE-VYDXJSESSA-N 2 1 276.424 2.258 40 0 CEABMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000026439642 361640312 /nfs/dbraw/zinc/64/03/12/361640312.db2.gz HNOIFNMTCSBWKU-HRCADAONSA-N 2 1 297.487 2.486 40 0 CEABMP Cc1nc[nH]c1C[N@@H+]1CC[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257259966 190022115 /nfs/dbraw/zinc/02/21/15/190022115.db2.gz LAULCXXCYZCAKI-CQSZACIVSA-N 2 1 299.422 2.477 40 0 CEABMP C[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccc(Br)cc2)C1 ZINC000225607417 394469330 /nfs/dbraw/zinc/46/93/30/394469330.db2.gz GDNNHXYGJATDLO-CMPLNLGQSA-N 2 1 269.186 2.053 40 0 CEABMP CCC[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216583 394593483 /nfs/dbraw/zinc/59/34/83/394593483.db2.gz CTMNVLLKNHPFBN-MRXNPFEDSA-N 2 1 288.439 2.380 40 0 CEABMP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000057467089 362581419 /nfs/dbraw/zinc/58/14/19/362581419.db2.gz HXTWJHKANGPBIS-JYJNAYRXSA-N 2 1 297.487 2.201 40 0 CEABMP CC(C)N(CC[NH3+])C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393607 363593792 /nfs/dbraw/zinc/59/37/92/363593792.db2.gz CIRGXAUYDVEXDX-KRWDZBQOSA-N 2 1 275.440 2.320 40 0 CEABMP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1sccc1C)C2 ZINC000096209616 364412061 /nfs/dbraw/zinc/41/20/61/364412061.db2.gz JCWZMNMZPIKEIM-GOEBONIOSA-N 2 1 294.464 2.457 40 0 CEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1sccc1C)C2 ZINC000096209616 364412071 /nfs/dbraw/zinc/41/20/71/364412071.db2.gz JCWZMNMZPIKEIM-GOEBONIOSA-N 2 1 294.464 2.457 40 0 CEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1sccc1C)C2 ZINC000096209616 364412074 /nfs/dbraw/zinc/41/20/74/364412074.db2.gz JCWZMNMZPIKEIM-GOEBONIOSA-N 2 1 294.464 2.457 40 0 CEABMP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](C[C@@H]2CCOC2)C3)c1 ZINC000096252324 364416490 /nfs/dbraw/zinc/41/64/90/364416490.db2.gz CDHZTPDFSWQDBP-HRCADAONSA-N 2 1 290.407 2.070 40 0 CEABMP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](C[C@@H]2CCOC2)C3)c1 ZINC000096252324 364416495 /nfs/dbraw/zinc/41/64/95/364416495.db2.gz CDHZTPDFSWQDBP-HRCADAONSA-N 2 1 290.407 2.070 40 0 CEABMP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](C[C@@H]4CCOC4)C3)C2)c1 ZINC000096252324 364416502 /nfs/dbraw/zinc/41/65/02/364416502.db2.gz CDHZTPDFSWQDBP-HRCADAONSA-N 2 1 290.407 2.070 40 0 CEABMP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](C[C@@H]4CCOC4)C3)C2)c1 ZINC000096252324 364416509 /nfs/dbraw/zinc/41/65/09/364416509.db2.gz CDHZTPDFSWQDBP-HRCADAONSA-N 2 1 290.407 2.070 40 0 CEABMP CCn1cc(C[NH2+]CCC[NH+](CC)CC)c(C)n1 ZINC000256050006 190002852 /nfs/dbraw/zinc/00/28/52/190002852.db2.gz CGJBFXZMAPLFGM-UHFFFAOYSA-N 2 1 252.406 2.033 40 0 CEABMP [NH3+]CCN(C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393638 394631441 /nfs/dbraw/zinc/63/14/41/394631441.db2.gz CRCGYKIBBHDDOT-KRWDZBQOSA-N 2 1 273.424 2.074 40 0 CEABMP CC[N@H+](Cc1ccccc1)CC1CC[NH+](CCO)CC1 ZINC000079414234 363597553 /nfs/dbraw/zinc/59/75/53/363597553.db2.gz DWBSPPGLQITDLM-UHFFFAOYSA-N 2 1 276.424 2.213 40 0 CEABMP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@@H+](C1CCC1)C2 ZINC000585113010 345005772 /nfs/dbraw/zinc/00/57/72/345005772.db2.gz ZWMVIUSJMVLIEV-MRXNPFEDSA-N 2 1 274.412 2.278 40 0 CEABMP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@H+](C1CCC1)C2 ZINC000585113010 345005773 /nfs/dbraw/zinc/00/57/73/345005773.db2.gz ZWMVIUSJMVLIEV-MRXNPFEDSA-N 2 1 274.412 2.278 40 0 CEABMP CC[NH+](CC)CC[C@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000585112132 345006047 /nfs/dbraw/zinc/00/60/47/345006047.db2.gz IMLUIIWVBYKXKK-INIZCTEOSA-N 2 1 276.428 2.382 40 0 CEABMP CC[NH+](CC)CCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000003848584 361291515 /nfs/dbraw/zinc/29/15/15/361291515.db2.gz YUSWNDGLHGZYBI-UHFFFAOYSA-N 2 1 264.369 2.237 40 0 CEABMP Cc1cccc(N2CCC[C@H](N(C)Cc3cncn3C)C2)n1 ZINC000257343697 371612436 /nfs/dbraw/zinc/61/24/36/371612436.db2.gz ZUAZKXLTVKVMJG-HNNXBMFYSA-N 2 1 299.422 2.224 40 0 CEABMP C[NH+](C)Cc1cncc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000257262424 190021993 /nfs/dbraw/zinc/02/19/93/190021993.db2.gz LLIRCDJYKSUIDU-HNNXBMFYSA-N 2 1 260.385 2.085 40 0 CEABMP C[NH+](C)Cc1cncc([C@@H]2CCC[N@H+]2CC2CC2)n1 ZINC000257262424 190021994 /nfs/dbraw/zinc/02/19/94/190021994.db2.gz LLIRCDJYKSUIDU-HNNXBMFYSA-N 2 1 260.385 2.085 40 0 CEABMP CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3ccn(C)n3)C2)c1 ZINC000257333509 190035869 /nfs/dbraw/zinc/03/58/69/190035869.db2.gz YBVXOPFHYGEFQW-ZDUSSCGKSA-N 2 1 285.395 2.155 40 0 CEABMP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)c1 ZINC000257333509 190035870 /nfs/dbraw/zinc/03/58/70/190035870.db2.gz YBVXOPFHYGEFQW-ZDUSSCGKSA-N 2 1 285.395 2.155 40 0 CEABMP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000026439638 276097489 /nfs/dbraw/zinc/09/74/89/276097489.db2.gz HNOIFNMTCSBWKU-JYJNAYRXSA-N 2 1 297.487 2.486 40 0 CEABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1CC[NH3+] ZINC000079414601 276354693 /nfs/dbraw/zinc/35/46/93/276354693.db2.gz CJPHMPTURRGGLP-KRWDZBQOSA-N 2 1 275.440 2.322 40 0 CEABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000049169065 362342732 /nfs/dbraw/zinc/34/27/32/362342732.db2.gz PPINVMYDOUKZRM-ZDUSSCGKSA-N 2 1 284.407 2.446 40 0 biogenic,in-vitro CEABMP C[NH+]1CCC([N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000049169065 362342735 /nfs/dbraw/zinc/34/27/35/362342735.db2.gz PPINVMYDOUKZRM-ZDUSSCGKSA-N 2 1 284.407 2.446 40 0 biogenic,in-vitro CEABMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC000096251701 364417285 /nfs/dbraw/zinc/41/72/85/364417285.db2.gz YXCAZWHBGHFHAV-ULQDDVLXSA-N 2 1 274.408 2.089 40 0 CEABMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC000096251701 364417287 /nfs/dbraw/zinc/41/72/87/364417287.db2.gz YXCAZWHBGHFHAV-ULQDDVLXSA-N 2 1 274.408 2.089 40 0 CEABMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC000096251701 364417288 /nfs/dbraw/zinc/41/72/88/364417288.db2.gz YXCAZWHBGHFHAV-ULQDDVLXSA-N 2 1 274.408 2.089 40 0 CEABMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC000096251701 364417290 /nfs/dbraw/zinc/41/72/90/364417290.db2.gz YXCAZWHBGHFHAV-ULQDDVLXSA-N 2 1 274.408 2.089 40 0 CEABMP CNc1cc(C)[nH+]c([C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000257260580 190022773 /nfs/dbraw/zinc/02/27/73/190022773.db2.gz LDMOBGOKPDXOHB-AWEZNQCLSA-N 2 1 288.439 2.315 40 0 CEABMP CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216346 394593559 /nfs/dbraw/zinc/59/35/59/394593559.db2.gz UQRPQPLDFFLFGY-INIZCTEOSA-N 2 1 288.439 2.284 40 0 CEABMP CCC[C@@]12C[NH2+]C[C@@](CCC)(C[N@@H+](CC(C)C)C1)[C@H]2O ZINC000100795077 364550705 /nfs/dbraw/zinc/55/07/05/364550705.db2.gz GMWSLXRQAAJTGS-BJWYYQGGSA-N 2 1 282.472 2.495 40 0 CEABMP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)c1 ZINC000257217218 190013775 /nfs/dbraw/zinc/01/37/75/190013775.db2.gz CYBRFAPCIWITOP-AWEZNQCLSA-N 2 1 285.395 2.155 40 0 CEABMP C[NH+]1CCC([N@@H+]2CC[C@@H](c3ncn4ccsc34)C2)CC1 ZINC000257271879 190024359 /nfs/dbraw/zinc/02/43/59/190024359.db2.gz NADWQYCGYOKNIZ-GFCCVEGCSA-N 2 1 290.436 2.279 40 0 CEABMP C[NH+]1CCC([N@H+]2CC[C@@H](c3ncn4ccsc34)C2)CC1 ZINC000257271879 190024360 /nfs/dbraw/zinc/02/43/60/190024360.db2.gz NADWQYCGYOKNIZ-GFCCVEGCSA-N 2 1 290.436 2.279 40 0 CEABMP CC[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216358 394593273 /nfs/dbraw/zinc/59/32/73/394593273.db2.gz VCOMEWIGXBHYGH-OAHLLOKOSA-N 2 1 274.412 2.038 40 0 CEABMP [NH3+]CCN(C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393640 295232165 /nfs/dbraw/zinc/23/21/65/295232165.db2.gz CRCGYKIBBHDDOT-QGZVFWFLSA-N 2 1 273.424 2.074 40 0 CEABMP CCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158804 364403399 /nfs/dbraw/zinc/40/33/99/364403399.db2.gz NALFJOOCCMQIKU-UHFFFAOYSA-N 2 1 289.423 2.158 40 0 CEABMP CCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158804 364403402 /nfs/dbraw/zinc/40/34/02/364403402.db2.gz NALFJOOCCMQIKU-UHFFFAOYSA-N 2 1 289.423 2.158 40 0 CEABMP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccc(C)s1)C2 ZINC000096218023 364413354 /nfs/dbraw/zinc/41/33/54/364413354.db2.gz NCAOHZAKRYPZIM-GOEBONIOSA-N 2 1 294.464 2.457 40 0 CEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096218023 364413358 /nfs/dbraw/zinc/41/33/58/364413358.db2.gz NCAOHZAKRYPZIM-GOEBONIOSA-N 2 1 294.464 2.457 40 0 CEABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096218023 364413363 /nfs/dbraw/zinc/41/33/63/364413363.db2.gz NCAOHZAKRYPZIM-GOEBONIOSA-N 2 1 294.464 2.457 40 0 CEABMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](C3CC3)[C@@H]2C1 ZINC000409427688 375524384 /nfs/dbraw/zinc/52/43/84/375524384.db2.gz BUHGYPQOLLDKKM-BRWVUGGUSA-N 2 1 256.393 2.459 40 0 CEABMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@H](C3CC3)[C@@H]2C1 ZINC000409427688 375524388 /nfs/dbraw/zinc/52/43/88/375524388.db2.gz BUHGYPQOLLDKKM-BRWVUGGUSA-N 2 1 256.393 2.459 40 0 CEABMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@H](C3CC3)[C@@H]2C1 ZINC000409427688 375524393 /nfs/dbraw/zinc/52/43/93/375524393.db2.gz BUHGYPQOLLDKKM-BRWVUGGUSA-N 2 1 256.393 2.459 40 0 CEABMP Cc1nc[nH]c1C[N@@H+]1CC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257259965 282139595 /nfs/dbraw/zinc/13/95/95/282139595.db2.gz LAULCXXCYZCAKI-AWEZNQCLSA-N 2 1 299.422 2.477 40 0 CEABMP CCOC(=O)[C@H](C[NH3+])[C@@]1([NH+](C)C)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351552 344534858 /nfs/dbraw/zinc/53/48/58/344534858.db2.gz QGGWEHAGQMESEH-PYTWLRIVSA-N 2 1 296.455 2.271 40 0 CEABMP CC[NH+](CC)CC[C@H]1C[N@H+](C(C)C)Cc2ccnn21 ZINC000585111854 345005693 /nfs/dbraw/zinc/00/56/93/345005693.db2.gz CWVOWYHKIKGTKU-HNNXBMFYSA-N 2 1 264.417 2.380 40 0 CEABMP CC[NH+](CC)CC[C@@H]1C[N@H+](C(C)C)Cc2ccnn21 ZINC000585111856 345006092 /nfs/dbraw/zinc/00/60/92/345006092.db2.gz CWVOWYHKIKGTKU-OAHLLOKOSA-N 2 1 264.417 2.380 40 0 CEABMP Cc1cc2cc(C[NH2+]CCC[NH+](C)C)c(=O)[nH]c2cc1C ZINC000004132833 361302004 /nfs/dbraw/zinc/30/20/04/361302004.db2.gz LTFWUEUGFOTCHO-UHFFFAOYSA-N 2 1 287.407 2.186 40 0 CEABMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306127163 376541585 /nfs/dbraw/zinc/54/15/85/376541585.db2.gz FQEXPJCMXSFAKG-GFCCVEGCSA-N 2 1 266.410 2.091 40 0 CEABMP CCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216360 394593654 /nfs/dbraw/zinc/59/36/54/394593654.db2.gz LHGHYJUMRXLMSV-MRXNPFEDSA-N 2 1 288.439 2.428 40 0 CEABMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000107196342 186162431 /nfs/dbraw/zinc/16/24/31/186162431.db2.gz MFMWQNLJODQSEO-FGTMMUONSA-N 2 1 286.419 2.148 40 0 CEABMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000107196342 186162433 /nfs/dbraw/zinc/16/24/33/186162433.db2.gz MFMWQNLJODQSEO-FGTMMUONSA-N 2 1 286.419 2.148 40 0 CEABMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000107196342 186162434 /nfs/dbraw/zinc/16/24/34/186162434.db2.gz MFMWQNLJODQSEO-FGTMMUONSA-N 2 1 286.419 2.148 40 0 CEABMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000107196342 186162436 /nfs/dbraw/zinc/16/24/36/186162436.db2.gz MFMWQNLJODQSEO-FGTMMUONSA-N 2 1 286.419 2.148 40 0 CEABMP Cc1ncsc1C[N@@H+]1CCC2(CC([NH+](C)C)C2)C1 ZINC000108524465 186220704 /nfs/dbraw/zinc/22/07/04/186220704.db2.gz KZGPWNQUGBLLKC-UHFFFAOYSA-N 2 1 265.426 2.368 40 0 CEABMP [NH3+][C@@H](CC[C@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608370 361211593 /nfs/dbraw/zinc/21/15/93/361211593.db2.gz NXDLNLVUCIDRBX-HOTGVXAUSA-N 2 1 296.370 2.187 40 0 CEABMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216299 256710348 /nfs/dbraw/zinc/71/03/48/256710348.db2.gz JWCDTQRQUQFQST-HNNXBMFYSA-N 2 1 274.412 2.038 40 0 CEABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCCN1CC[NH3+] ZINC000079414608 276142355 /nfs/dbraw/zinc/14/23/55/276142355.db2.gz CJPHMPTURRGGLP-QGZVFWFLSA-N 2 1 275.440 2.322 40 0 CEABMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000013561975 520623661 /nfs/dbraw/zinc/62/36/61/520623661.db2.gz HXTWJHKANGPBIS-BZUAXINKSA-N 2 1 297.487 2.201 40 0 CEABMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000247636761 371131152 /nfs/dbraw/zinc/13/11/52/371131152.db2.gz FAAZCSOJONMFIE-RTCCRHLQSA-N 2 1 254.736 2.116 40 0 CEABMP c1cc(C[N@@H+]2C[C@@H]3COC[C@@H]([NH+]4CCCC4)[C@@H]3C2)cs1 ZINC000306140119 376541019 /nfs/dbraw/zinc/54/10/19/376541019.db2.gz UKNMXJNNJORDIJ-BZUAXINKSA-N 2 1 292.448 2.291 40 0 CEABMP c1cc(C[N@H+]2C[C@@H]3COC[C@@H]([NH+]4CCCC4)[C@@H]3C2)cs1 ZINC000306140119 376541022 /nfs/dbraw/zinc/54/10/22/376541022.db2.gz UKNMXJNNJORDIJ-BZUAXINKSA-N 2 1 292.448 2.291 40 0 CEABMP CC[C@H]1CO[C@]2(C1)CCC[N@@H+](CCC[NH+](C)C)C2 ZINC000096089832 394676985 /nfs/dbraw/zinc/67/69/85/394676985.db2.gz YVLONVXWSIRREV-CABCVRRESA-N 2 1 254.418 2.219 40 0 CEABMP Cc1[nH+]ccn1CCNc1cccc([C@H]2CCC[N@H+]2C)n1 ZINC000072365343 176380781 /nfs/dbraw/zinc/38/07/81/176380781.db2.gz RHZSXONPDUSARO-OAHLLOKOSA-N 2 1 285.395 2.465 40 0 CEABMP Cc1[nH+]ccn1CCNc1cccc([C@H]2CCC[N@@H+]2C)n1 ZINC000072365343 176380782 /nfs/dbraw/zinc/38/07/82/176380782.db2.gz RHZSXONPDUSARO-OAHLLOKOSA-N 2 1 285.395 2.465 40 0 CEABMP Cc1[nH+]c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c2ccccn12 ZINC000072397557 176394939 /nfs/dbraw/zinc/39/49/39/176394939.db2.gz IFBMKCAVZBSSAN-UKRRQHHQSA-N 2 1 284.407 2.311 40 0 CEABMP